data_mhw02_sq
_audit_author_name                ?
_audit_author_email               ?
_audit_author_address             ?
_audit_creation_method
;FinalCif V156 by Daniel Kratzert, Freiburg 2026, 
https://dkratzert.de/finalcif.html
;
_publ_section_references
;Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_shelx_SHELXL_version_number      '2019/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_formula_sum             'C276 H162 B10.20 F40.80 N30 O32 P8 Pd6'
_chemical_formula_moiety          ?
_chemical_formula_weight          6181.97
_chemical_melting_point           ?
_chemical_absolute_configuration  ?
_space_group_crystal_system       trigonal
_space_group_IT_number            152
_space_group_name_H-M_alt         'P 31 2 1'
_space_group_name_Hall            'P 31 2"'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
'y, x, -z'

_cell_length_a                    27.629(3)
_cell_length_b                    27.629(3)
_cell_length_c                    48.349(6)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 120
_cell_volume                      31963(8)
_cell_formula_units_Z             3
_cell_measurement_temperature     193(2)
_cell_measurement_reflns_used     9659
_cell_measurement_theta_min       2.7835
_cell_measurement_theta_max       53.908
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     0.963
_exptl_crystal_F_000              9295
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.2
_exptl_crystal_size_min           0.2
_exptl_absorpt_coefficient_mu     1.904
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.5778
_exptl_absorpt_correction_T_max   0.7506
_exptl_absorpt_process_details
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details    ?
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_special_details            ?
_diffrn_ambient_temperature       193(2)
_diffrn_ambient_environment       N~2~
_diffrn_radiation_type            GaK\a
_diffrn_radiation_wavelength      1.34135
_diffrn_radiation_monochromator   'Helios Multi-layer Optic'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream 800'
_diffrn_radiation_probe           x-ray
_diffrn_source                    MetalJet
_diffrn_source_type               'Liquid Metal source'
_diffrn_source_voltage            ?
_diffrn_source_current            ?
_diffrn_detector                  CPAD
_diffrn_detector_type             'Bruker PHOTON II'
_diffrn_detector_area_resol_mean  7.41
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method        'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number             553371
_diffrn_reflns_av_unetI/netI      0.0261
_diffrn_reflns_av_R_equivalents   0.0609
_diffrn_reflns_theta_min          1.606
_diffrn_reflns_theta_max          54.114
_diffrn_reflns_theta_full         53.592
_diffrn_reflns_limit_h_min        -33
_diffrn_reflns_limit_h_max        33
_diffrn_reflns_limit_k_min        -33
_diffrn_reflns_limit_k_max        33
_diffrn_reflns_limit_l_min        -58
_diffrn_reflns_limit_l_max        58
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total              39193
_reflns_number_gt                 33259
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.875
_reflns_Friedel_fraction_max      0.994
_reflns_Friedel_fraction_full     0.999
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection        ?
_computing_cell_refinement        'SAINT V8.40B'
_computing_data_reduction         'SAINT V8.40B'
_computing_structure_solution     'SHELXD (G. Sheldrick)'
_computing_structure_refinement   'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details      'w=1/[σ²(Fo²)+(0.0860P)²+2.0922P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      'dual space'
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_number_reflns          39193
_refine_ls_number_parameters      1860
_refine_ls_number_restraints      576
_refine_ls_R_factor_all           0.0488
_refine_ls_R_factor_gt            0.0401
_refine_ls_wR_factor_ref          0.1196
_refine_ls_wR_factor_gt           0.1128
_refine_ls_goodness_of_fit_ref    1.030
_refine_ls_restrained_S_all       1.036
_refine_ls_shift/su_max           0.004
_refine_ls_shift/su_mean          0.000
_refine_diff_density_max          0.582
_refine_diff_density_min          -0.611
_refine_diff_density_rms          0.051
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_abs_structure_Flack    0.057(5)
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C'  'C'  0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P'  'P'  0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Pd' 'Pd' 0.0375 3.1039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'O'  'O'  0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'N'  'N'  0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'B'  'B'  0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'F'  'F'  0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H'  'H'  0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1_1   Pd 0.50003(2)  -0.00001(2)  0.52778(2)  0.05337(9)  Uani 1   1 d    .  . . . .
Pd2_1   Pd 0.69865(2)  0.39731(2)   0.33333(2)  0.05398(9)  Uani 1   1 d    .  . . . .
Pd3_1   Pd 0.15473(2)  0.000000     0.333333    0.05417(12) Uani 1   2 d    S  T P . .
Pd4_1   Pd 0.84532(2)  0.000000     0.333333    0.05425(12) Uani 1   2 d    S  T P . .
N1_2    N  0.80644(17) -0.07602(19) 0.35156(9)  0.0641(10)  Uani 1   1 d    .  . . . .
C2_2    C  0.8356(3)   -0.1007(3)   0.35948(17) 0.091(2)    Uani 1   1 d    .  . . . .
H2_2    H  0.874977    -0.081875    0.356863    0.109       Uiso 1   1 calc R  U . . .
C3_2    C  0.8084(3)   -0.1541(3)   0.3716(2)   0.117(3)    Uani 1   1 d    .  . . . .
H3_2    H  0.829021    -0.171815    0.376523    0.140       Uiso 1   1 calc R  U . . .
C4_2    C  0.7518(3)   -0.1805(3)   0.37622(16) 0.092(2)    Uani 1   1 d    .  . . . .
H4_2    H  0.733233    -0.216306    0.384738    0.110       Uiso 1   1 calc R  U . . .
C5_2    C  0.7216(2)   -0.1544(2)   0.36831(11) 0.0651(13)  Uani 1   1 d    .  . . . .
C6_2    C  0.7515(2)   -0.1016(2)   0.35628(11) 0.0606(12)  Uani 1   1 d    .  . . . .
H6_2    H  0.731835    -0.082947    0.351189    0.073       Uiso 1   1 calc R  U . . .
C7_2    C  0.6603(2)   -0.1806(2)   0.37269(11) 0.0700(14)  Uani 1   1 d    .  . . . .
C8_2    C  0.6238(2)   -0.2361(2)   0.36465(12) 0.0706(14)  Uani 1   1 d    .  . . . .
H8_2    H  0.638906    -0.257011    0.356566    0.085       Uiso 1   1 calc R  U . . .
C9_2    C  0.5657(2)   -0.2616(2)   0.36816(11) 0.0691(14)  Uani 1   1 d    .  . . . .
H9_2    H  0.541966    -0.300127    0.364176    0.083       Uiso 1   1 calc R  U . . .
C10_2   C  0.5440(2)   -0.2292(3)   0.37754(10) 0.0673(13)  Uani 1   1 d    .  . . . .
C11_2   C  0.5792(2)   -0.1730(2)   0.38341(10) 0.0630(12)  Uani 1   1 d    .  . . . .
C12_2   C  0.6366(2)   -0.1503(2)   0.38304(12) 0.0675(13)  Uani 1   1 d    .  . . . .
O13_2   O  0.67205(15) -0.09840(16) 0.39549(8)  0.0754(10)  Uani 1   1 d    .  . . . .
C14_2   C  0.6541(2)   -0.0899(2)   0.42157(12) 0.0714(14)  Uani 1   1 d    .  . . . .
C15_2   C  0.6918(3)   -0.0684(3)   0.44245(15) 0.0814(17)  Uani 1   1 d    .  . . . .
H15_2   H  0.729913    -0.057380    0.439393    0.098       Uiso 1   1 calc R  U . . .
C16_2   C  0.6738(2)   -0.0628(2)   0.46816(14) 0.0767(16)  Uani 1   1 d    .  . . . .
H16_2   H  0.700140    -0.047604    0.482806    0.092       Uiso 1   1 calc R  U . . .
C17_2   C  0.6180(2)   -0.0786(2)   0.47350(12) 0.0668(13)  Uani 1   1 d    .  . . . .
C18_2   C  0.5801(2)   -0.1029(2)   0.45190(12) 0.0691(14)  Uani 1   1 d    .  . . . .
C19_2   C  0.5995(2)   -0.1034(2)   0.42520(11) 0.0663(13)  Uani 1   1 d    .  . . . .
P20_2   P  0.55035(6)  -0.13447(6)  0.39835(3)  0.0665(3)   Uani 1   1 d    .  . . . .
C21_2   C  0.4972(2)   -0.1885(2)   0.41764(11) 0.0661(13)  Uani 1   1 d    .  . . . .
C22_2   C  0.4893(2)   -0.1806(2)   0.44576(11) 0.0647(13)  Uani 1   1 d    .  . . . .
C23_2   C  0.4505(2)   -0.2226(3)   0.46083(11) 0.0699(14)  Uani 1   1 d    .  . . . .
H23_2   H  0.444056    -0.216834    0.479531    0.084       Uiso 1   1 calc R  U . . .
C24_2   C  0.4196(2)   -0.2751(3)   0.44856(11) 0.0694(14)  Uani 1   1 d    .  . . . .
H24_2   H  0.391850    -0.304686    0.459397    0.083       Uiso 1   1 calc R  U . . .
C25_2   C  0.42678(19) -0.2865(2)   0.42190(10) 0.0619(11)  Uani 1   1 d    .  . . . .
C26_2   C  0.4690(2)   -0.2430(2)   0.40683(10) 0.0630(12)  Uani 1   1 d    .  . . . .
O27_2   O  0.48626(14) -0.25418(17) 0.38152(6)  0.0691(9)   Uani 1   1 d    .  . . . .
O28_2   O  0.52303(16) -0.12768(17) 0.45741(8)  0.0721(10)  Uani 1   1 d    .  . . . .
O29_2   O  0.5372(2)   -0.1001(2)   0.38053(9)  0.0875(12)  Uani 1   1 d    .  . . . .
C30_2   C  0.3913(2)   -0.3426(2)   0.40914(11) 0.0624(12)  Uani 1   1 d    .  . . . .
C31_2   C  0.3772(3)   -0.3920(3)   0.42294(12) 0.0784(15)  Uani 1   1 d    .  . . . .
H31_2   H  0.391269    -0.391277    0.440950    0.094       Uiso 1   1 calc R  U . . .
C32_2   C  0.3423(3)   -0.4421(3)   0.41012(14) 0.093(2)    Uani 1   1 d    .  . . . .
H32_2   H  0.332844    -0.476006    0.419367    0.112       Uiso 1   1 calc R  U . . .
C33_2   C  0.3212(3)   -0.4439(2)   0.38448(12) 0.0756(15)  Uani 1   1 d    .  . . . .
H33_2   H  0.297458    -0.479027    0.376016    0.091       Uiso 1   1 calc R  U . . .
N34_2   N  0.33378(17) -0.39642(17) 0.37102(9)  0.0592(10)  Uani 1   1 d    .  . . . .
C35_2   C  0.3690(2)   -0.3470(2)   0.38326(10) 0.0604(12)  Uani 1   1 d    .  . . . .
H35_2   H  0.378798    -0.313619    0.373421    0.072       Uiso 1   1 calc R  U . . .
C36_2   C  0.6005(2)   -0.0684(2)   0.50101(12) 0.0663(13)  Uani 1   1 d    .  . . . .
C37_2   C  0.6207(3)   -0.0769(4)   0.52609(14) 0.094(2)    Uani 1   1 d    .  . . . .
H37_2   H  0.643640    -0.093507    0.525886    0.112       Uiso 1   1 calc R  U . . .
C38_2   C  0.6086(4)   -0.0623(4)   0.54992(16) 0.107(3)    Uani 1   1 d    .  . . . .
H38_2   H  0.625557    -0.065006    0.566501    0.129       Uiso 1   1 calc R  U . . .
C39_2   C  0.5700(3)   -0.0426(3)   0.55061(13) 0.0871(19)  Uani 1   1 d    .  . . . .
H39_2   H  0.558676    -0.034927    0.567850    0.105       Uiso 1   1 calc R  U . . .
N40_2   N  0.54937(18) -0.03479(17) 0.52693(8)  0.0610(10)  Uani 1   1 d    .  . . . .
C41_2   C  0.5648(2)   -0.0469(2)   0.50311(11) 0.0618(12)  Uani 1   1 d    .  . . . .
H41_2   H  0.550510    -0.040374    0.486509    0.074       Uiso 1   1 calc R  U . . .
N1_3    N  0.76324(17) 0.39533(16)  0.35156(8)  0.0589(10)  Uani 1   1 d    .  . . . .
C2_3    C  0.8109(3)   0.4420(2)    0.35900(13) 0.0757(15)  Uani 1   1 d    .  . . . .
H2_3    H  0.813004    0.477147     0.356502    0.091       Uiso 1   1 calc R  U . . .
C3_3    C  0.8566(2)   0.4414(2)    0.37003(13) 0.0754(16)  Uani 1   1 d    .  . . . .
H3_3    H  0.889609    0.475191     0.374642    0.091       Uiso 1   1 calc R  U . . .
C4_3    C  0.8530(2)   0.3898(2)    0.37424(12) 0.0672(13)  Uani 1   1 d    .  . . . .
H4_3    H  0.883706    0.387836     0.381776    0.081       Uiso 1   1 calc R  U . . .
C5_3    C  0.8032(2)   0.3405(2)    0.36718(10) 0.0563(11)  Uani 1   1 d    .  . . . .
C6_3    C  0.7605(2)   0.3462(2)    0.35630(9)  0.0543(11)  Uani 1   1 d    .  . . . .
H6_3    H  0.726705    0.313069     0.351812    0.065       Uiso 1   1 calc R  U . . .
C7_3    C  0.7977(2)   0.2849(2)    0.37077(9)  0.0575(11)  Uani 1   1 d    .  . . . .
C8_3    C  0.8413(2)   0.2737(3)    0.36373(11) 0.0654(13)  Uani 1   1 d    .  . . . .
H8_3    H  0.875464    0.303457     0.356858    0.079       Uiso 1   1 calc R  U . . .
C9_3    C  0.8361(2)   0.2221(2)    0.36641(11) 0.0647(13)  Uani 1   1 d    .  . . . .
H9_3    H  0.866533    0.216555     0.362206    0.078       Uiso 1   1 calc R  U . . .
C10_3   C  0.7849(2)   0.1776(2)    0.37549(9)  0.0606(12)  Uani 1   1 d    .  . . . .
C11_3   C  0.7401(2)   0.1858(2)    0.38138(10) 0.0592(12)  Uani 1   1 d    .  . . . .
C12_3   C  0.7490(2)   0.2399(2)    0.38133(9)  0.0531(10)  Uani 1   1 d    .  . . . .
O13_3   O  0.70921(14) 0.25072(14)  0.39370(7)  0.0580(8)   Uani 1   1 d    .  . . . .
C14_3   C  0.68940(19) 0.22629(19)  0.41931(9)  0.0516(10)  Uani 1   1 d    .  . . . .
C15_3   C  0.6862(2)   0.2583(2)    0.44060(10) 0.0573(11)  Uani 1   1 d    .  . . . .
H15_3   H  0.695556    0.295987     0.437584    0.069       Uiso 1   1 calc R  U . . .
C16_3   C  0.66897(19) 0.2336(2)    0.46647(10) 0.0555(11)  Uani 1   1 d    .  . . . .
H16_3   H  0.665974    0.255033     0.481018    0.067       Uiso 1   1 calc R  U . . .
C17_3   C  0.6558(2)   0.17884(19)  0.47214(10) 0.0544(11)  Uani 1   1 d    .  . . . .
C18_3   C  0.6609(2)   0.14778(19)  0.45010(10) 0.0542(11)  Uani 1   1 d    .  . . . .
C19_3   C  0.67195(19) 0.16911(19)  0.42368(10) 0.0519(10)  Uani 1   1 d    .  . . . .
P20_3   P  0.67990(5)  0.13144(5)   0.39665(2)  0.0548(3)   Uani 1   1 d    .  . . . .
C21_3   C  0.7110(2)   0.1004(2)    0.41634(10) 0.0592(11)  Uani 1   1 d    .  . . . .
C22_3   C  0.6970(2)   0.0873(2)    0.44332(11) 0.0604(12)  Uani 1   1 d    .  . . . .
C23_3   C  0.7243(3)   0.0678(2)    0.46000(11) 0.0675(14)  Uani 1   1 d    .  . . . .
H23_3   H  0.713966    0.057759     0.478763    0.081       Uiso 1   1 calc R  U . . .
C24_3   C  0.7682(3)   0.0636(2)    0.44771(11) 0.0676(13)  Uani 1   1 d    .  . . . .
H24_3   H  0.787215    0.049839     0.458687    0.081       Uiso 1   1 calc R  U . . .
C25_3   C  0.7851(2)   0.0780(2)    0.42095(10) 0.0612(12)  Uani 1   1 d    .  . . . .
C26_3   C  0.7580(2)   0.1004(2)    0.40506(10) 0.0586(11)  Uani 1   1 d    .  . . . .
O27_3   O  0.78083(17) 0.12595(16)  0.38016(7)  0.0669(9)   Uani 1   1 d    .  . . . .
O28_3   O  0.65647(15) 0.09664(14)  0.45586(7)  0.0606(8)   Uani 1   1 d    .  . . . .
O29_3   O  0.63138(16) 0.09592(16)  0.37900(8)  0.0694(9)   Uani 1   1 d    .  . . . .
C30_3   C  0.8310(2)   0.0718(2)    0.40878(11) 0.0647(12)  Uani 1   1 d    .  . . . .
C31_3   C  0.8811(3)   0.0875(3)    0.42217(13) 0.0877(19)  Uani 1   1 d    .  . . . .
H31_3   H  0.888630    0.105499     0.439655    0.105       Uiso 1   1 calc R  U . . .
C32_3   C  0.9200(3)   0.0767(4)    0.40998(15) 0.100(2)    Uani 1   1 d    .  . . . .
H32_3   H  0.952858    0.084592     0.419911    0.121       Uiso 1   1 calc R  U . . .
C33_3   C  0.9121(2)   0.0548(3)    0.38378(14) 0.0807(17)  Uani 1   1 d    .  . . . .
H33_3   H  0.940827    0.051435     0.374750    0.097       Uiso 1   1 calc R  U . . .
N34_3   N  0.86207(16) 0.03786(18)  0.37094(9)  0.0591(10)  Uani 1   1 d    .  . . . .
C35_3   C  0.8237(2)   0.0471(2)    0.38281(10) 0.0573(11)  Uani 1   1 d    .  . . . .
H35_3   H  0.789909    0.036222     0.373112    0.069       Uiso 1   1 calc R  U . . .
C36_3   C  0.6366(2)   0.15319(19)  0.49992(10) 0.0552(11)  Uani 1   1 d    .  . . . .
C37_3   C  0.6628(2)   0.1804(2)    0.52384(11) 0.0667(13)  Uani 1   1 d    .  . . . .
H37_3   H  0.694996    0.216568     0.522913    0.080       Uiso 1   1 calc R  U . . .
C38_3   C  0.6426(3)   0.1556(2)    0.54926(11) 0.083(2)    Uani 1   1 d    .  . . . .
H38_3   H  0.661242    0.174021     0.565819    0.099       Uiso 1   1 calc R  U . . .
C39_3   C  0.5949(2)   0.1036(2)    0.55020(11) 0.0719(15)  Uani 1   1 d    .  . . . .
H39_3   H  0.579921    0.086791     0.567606    0.086       Uiso 1   1 calc R  U . . .
N40_3   N  0.56925(17) 0.07637(17)  0.52679(8)  0.0571(9)   Uani 1   1 d    .  . . . .
C41_3   C  0.5893(2)   0.1006(2)    0.50273(9)  0.0545(11)  Uani 1   1 d    .  . . . .
H41_3   H  0.570428    0.081089     0.486425    0.065       Uiso 1   1 calc R  U . . .
N1_4    N  0.66579(17) 0.39646(17)  0.37108(9)  0.0605(10)  Uani 1   1 d    .  . . . .
C2_4    C  0.6785(3)   0.4438(2)    0.38453(12) 0.0748(15)  Uani 1   1 d    .  . . . .
H2_4    H  0.702189    0.478735     0.375877    0.090       Uiso 1   1 calc R  U . . .
C3_4    C  0.6586(3)   0.4431(3)    0.40988(14) 0.094(2)    Uani 1   1 d    .  . . . .
H3_4    H  0.669164    0.477184     0.419212    0.113       Uiso 1   1 calc R  U . . .
C4_4    C  0.6217(3)   0.3915(3)    0.42281(12) 0.0780(15)  Uani 1   1 d    .  . . . .
H4_4    H  0.606331    0.390625     0.440501    0.094       Uiso 1   1 calc R  U . . .
C5_4    C  0.6086(2)   0.3426(2)    0.40923(11) 0.0634(12)  Uani 1   1 d    .  . . . .
C6_4    C  0.6319(2)   0.3473(2)    0.38328(10) 0.0619(12)  Uani 1   1 d    .  . . . .
H6_4    H  0.623499    0.313975     0.373665    0.074       Uiso 1   1 calc R  U . . .
C7_4    C  0.57277(19) 0.2868(2)    0.42207(10) 0.0613(11)  Uani 1   1 d    .  . . . .
C8_4    C  0.5805(2)   0.2751(2)    0.44897(11) 0.0668(13)  Uani 1   1 d    .  . . . .
H8_4    H  0.608458    0.304454     0.459801    0.080       Uiso 1   1 calc R  U . . .
C9_4    C  0.5496(2)   0.2228(2)    0.46099(11) 0.0659(13)  Uani 1   1 d    .  . . . .
H9_4    H  0.555737    0.216859     0.479703    0.079       Uiso 1   1 calc R  U . . .
C10_4   C  0.5104(2)   0.1803(2)    0.44554(11) 0.0635(12)  Uani 1   1 d    .  . . . .
C11_4   C  0.5025(2)   0.1877(3)    0.41786(12) 0.0683(14)  Uani 1   1 d    .  . . . .
C12_4   C  0.5311(2)   0.2429(2)    0.40663(10) 0.0635(12)  Uani 1   1 d    .  . . . .
O13_4   O  0.51386(14) 0.25417(17)  0.38151(7)  0.0699(9)   Uani 1   1 d    .  . . . .
C14_4   C  0.4562(2)   0.2299(3)    0.37737(10) 0.0658(12)  Uani 1   1 d    .  . . . .
C15_4   C  0.4343(2)   0.2614(2)    0.36867(12) 0.0691(14)  Uani 1   1 d    .  . . . .
H15_4   H  0.458031    0.300086     0.364988    0.083       Uiso 1   1 calc R  U . . .
C16_4   C  0.3752(2)   0.2363(2)    0.36505(12) 0.0715(14)  Uani 1   1 d    .  . . . .
H16_4   H  0.360031    0.257513     0.357384    0.086       Uiso 1   1 calc R  U . . .
C17_4   C  0.3395(2)   0.1803(2)    0.37280(11) 0.0702(14)  Uani 1   1 d    .  . . . .
C18_4   C  0.3633(2)   0.1508(2)    0.38328(11) 0.0669(13)  Uani 1   1 d    .  . . . .
C19_4   C  0.4209(2)   0.1728(2)    0.38368(11) 0.0637(13)  Uani 1   1 d    .  . . . .
P20_4   P  0.44957(6)  0.13439(6)   0.39838(3)  0.0666(3)   Uani 1   1 d    .  . . . .
C21_4   C  0.4003(2)   0.1026(2)    0.42549(11) 0.0657(13)  Uani 1   1 d    .  . . . .
C22_4   C  0.3454(2)   0.0897(2)    0.42186(13) 0.0725(14)  Uani 1   1 d    .  . . . .
C23_4   C  0.3088(3)   0.0689(3)    0.44283(15) 0.0820(17)  Uani 1   1 d    .  . . . .
H23_4   H  0.270848    0.058450     0.439908    0.098       Uiso 1   1 calc R  U . . .
C24_4   C  0.3259(2)   0.0626(2)    0.46821(13) 0.0724(15)  Uani 1   1 d    .  . . . .
H24_4   H  0.299177    0.047079     0.482694    0.087       Uiso 1   1 calc R  U . . .
C25_4   C  0.3819(2)   0.0782(2)    0.47385(13) 0.0703(14)  Uani 1   1 d    .  . . . .
C26_4   C  0.4201(2)   0.1032(2)    0.45203(12) 0.0687(14)  Uani 1   1 d    .  . . . .
O27_4   O  0.47669(16) 0.12794(17)  0.45714(8)  0.0725(10)  Uani 1   1 d    .  . . . .
O28_4   O  0.32750(16) 0.09853(16)  0.39545(8)  0.0758(10)  Uani 1   1 d    .  . . . .
O29_4   O  0.46282(19) 0.09964(19)  0.38077(9)  0.0848(12)  Uani 1   1 d    .  . . . .
C30_4   C  0.3992(2)   0.0684(2)    0.50105(12) 0.0667(13)  Uani 1   1 d    .  . . . .
C31_4   C  0.3784(3)   0.0766(3)    0.52571(14) 0.091(2)    Uani 1   1 d    .  . . . .
H31_4   H  0.353656    0.091201     0.525358    0.109       Uiso 1   1 calc R  U . . .
C32_4   C  0.3932(4)   0.0641(4)    0.55024(15) 0.106(2)    Uani 1   1 d    .  . . . .
H32_4   H  0.378018    0.068979     0.566942    0.127       Uiso 1   1 calc R  U . . .
C33_4   C  0.4316(3)   0.0434(3)    0.55119(13) 0.090(2)    Uani 1   1 d    .  . . . .
H33_4   H  0.443252    0.035894     0.568370    0.108       Uiso 1   1 calc R  U . . .
N34_4   N  0.45082(18) 0.03474(17)  0.52689(8)  0.0628(10)  Uani 1   1 d    .  . . . .
C35_4   C  0.4350(2)   0.0471(2)    0.50300(10) 0.0631(13)  Uani 1   1 d    .  . . . .
H35_4   H  0.449258    0.040964     0.486320    0.076       Uiso 1   1 calc R  U . . .
C36_4   C  0.2784(2)   0.1545(2)    0.36847(10) 0.0629(12)  Uani 1   1 d    .  . . . .
C37_4   C  0.2491(3)   0.1808(3)    0.37639(15) 0.0886(19)  Uani 1   1 d    .  . . . .
H37_4   H  0.268047    0.216961     0.384484    0.106       Uiso 1   1 calc R  U . . .
C38_4   C  0.1909(3)   0.1531(3)    0.37226(19) 0.110(3)    Uani 1   1 d    .  . . . .
H38_4   H  0.169882    0.170243     0.377469    0.132       Uiso 1   1 calc R  U . . .
C39_4   C  0.1652(3)   0.1008(3)    0.36057(17) 0.093(2)    Uani 1   1 d    .  . . . .
H39_4   H  0.125662    0.081349     0.358576    0.111       Uiso 1   1 calc R  U . . .
N40_4   N  0.19389(17) 0.07590(19)  0.35178(9)  0.0640(10)  Uani 1   1 d    .  . . . .
C41_4   C  0.2485(2)   0.1012(2)    0.35654(10) 0.0611(12)  Uani 1   1 d    .  . . . .
H41_4   H  0.268193    0.082416     0.351655    0.073       Uiso 1   1 calc R  U . . .
N1_5    N  0.63185(18) 0.39551(16)  0.31521(8)  0.0592(10)  Uani 1   1 d    .  . . . .
C2_5    C  0.6322(3)   0.4425(2)    0.30822(12) 0.0716(14)  Uani 1   1 d    .  . . . .
H2_5    H  0.665213    0.477419     0.311061    0.086       Uiso 1   1 calc R  U . . .
C3_5    C  0.5843(3)   0.4415(2)    0.29660(14) 0.0823(17)  Uani 1   1 d    .  . . . .
H3_5    H  0.584992    0.475270     0.292043    0.099       Uiso 1   1 calc R  U . . .
C4_5    C  0.5369(2)   0.3904(2)    0.29210(12) 0.0679(13)  Uani 1   1 d    .  . . . .
H4_5    H  0.504579    0.388697     0.284204    0.082       Uiso 1   1 calc R  U . . .
C5_5    C  0.5364(2)   0.3402(2)    0.29932(10) 0.0562(11)  Uani 1   1 d    .  . . . .
C6_5    C  0.5857(2)   0.3466(2)    0.31051(9)  0.0565(11)  Uani 1   1 d    .  . . . .
H6_5    H  0.586509    0.313639     0.315175    0.068       Uiso 1   1 calc R  U . . .
C7_5    C  0.4871(2)   0.2848(2)    0.29580(9)  0.0553(11)  Uani 1   1 d    .  . . . .
C8_5    C  0.4329(2)   0.2737(2)    0.30337(10) 0.0636(13)  Uani 1   1 d    .  . . . .
H8_5    H  0.428642    0.303305     0.310640    0.076       Uiso 1   1 calc R  U . . .
C9_5    C  0.3863(2)   0.2217(2)    0.30060(11) 0.0645(13)  Uani 1   1 d    .  . . . .
H9_5    H  0.350341    0.216011     0.305112    0.077       Uiso 1   1 calc R  U . . .
C10_5   C  0.3925(2)   0.1780(2)    0.29115(10) 0.0629(12)  Uani 1   1 d    .  . . . .
C11_5   C  0.4459(2)   0.1861(2)    0.28508(10) 0.0566(11)  Uani 1   1 d    .  . . . .
C12_5   C  0.4916(2)   0.2402(2)    0.28530(9)  0.0549(11)  Uani 1   1 d    .  . . . .
O13_5   O  0.54147(14) 0.25071(14)  0.27311(7)  0.0577(8)   Uani 1   1 d    .  . . . .
C14_5   C  0.5371(2)   0.22617(19)  0.24744(9)  0.0525(10)  Uani 1   1 d    .  . . . .
C15_5   C  0.5716(2)   0.2576(2)    0.22609(10) 0.0565(11)  Uani 1   1 d    .  . . . .
H15_5   H  0.599997    0.295246     0.229091    0.068       Uiso 1   1 calc R  U . . .
C16_5   C  0.5643(2)   0.2333(2)    0.20002(10) 0.0559(11)  Uani 1   1 d    .  . . . .
H16_5   H  0.588200    0.255055     0.185376    0.067       Uiso 1   1 calc R  U . . .
C17_5   C  0.5233(2)   0.17865(19)  0.19470(10) 0.0535(10)  Uani 1   1 d    .  . . . .
C18_5   C  0.4879(2)   0.1480(2)    0.21633(10) 0.0537(11)  Uani 1   1 d    .  . . . .
C19_5   C  0.49748(19) 0.16953(19)  0.24300(9)  0.0509(10)  Uani 1   1 d    .  . . . .
P20_5   P  0.45148(5)  0.13141(5)   0.26994(3)  0.0546(3)   Uani 1   1 d    .  . . . .
C21_5   C  0.3895(2)   0.1005(2)    0.25043(10) 0.0575(11)  Uani 1   1 d    .  . . . .
C22_5   C  0.3907(2)   0.0879(2)    0.22346(11) 0.0587(11)  Uani 1   1 d    .  . . . .
C23_5   C  0.3430(2)   0.0680(2)    0.20639(11) 0.0678(14)  Uani 1   1 d    .  . . . .
H23_5   H  0.343331    0.058273     0.187574    0.081       Uiso 1   1 calc R  U . . .
C24_5   C  0.2959(2)   0.0635(2)    0.21876(11) 0.0703(14)  Uani 1   1 d    .  . . . .
H24_5   H  0.262898    0.049152     0.207912    0.084       Uiso 1   1 calc R  U . . .
C25_5   C  0.2933(2)   0.0786(2)    0.24593(10) 0.0599(12)  Uani 1   1 d    .  . . . .
C26_5   C  0.3422(2)   0.1003(2)    0.26144(9)  0.0584(11)  Uani 1   1 d    .  . . . .
O27_5   O  0.34524(14) 0.12612(16)  0.28649(7)  0.0664(9)   Uani 1   1 d    .  . . . .
O28_5   O  0.44017(14) 0.09633(14)  0.21071(7)  0.0601(8)   Uani 1   1 d    .  . . . .
O29_5   O  0.46426(17) 0.09545(15)  0.28766(8)  0.0684(9)   Uani 1   1 d    .  . . . .
C30_5   C  0.2409(2)   0.0721(2)    0.25838(11) 0.0658(13)  Uani 1   1 d    .  . . . .
C31_5   C  0.2059(3)   0.0871(3)    0.24459(14) 0.0871(19)  Uani 1   1 d    .  . . . .
H31_5   H  0.216362    0.104418     0.226928    0.104       Uiso 1   1 calc R  U . . .
C32_5   C  0.1567(3)   0.0771(4)    0.25633(15) 0.104(2)    Uani 1   1 d    .  . . . .
H32_5   H  0.132239    0.085998     0.246613    0.125       Uiso 1   1 calc R  U . . .
C33_5   C  0.1428(3)   0.0537(3)    0.28281(15) 0.0867(18)  Uani 1   1 d    .  . . . .
H33_5   H  0.109985    0.049085     0.291620    0.104       Uiso 1   1 calc R  U . . .
N34_5   N  0.17532(18) 0.03774(19)  0.29589(9)  0.0630(10)  Uani 1   1 d    .  . . . .
C35_5   C  0.22331(19) 0.0475(2)    0.28381(10) 0.0556(11)  Uani 1   1 d    .  . . . .
H35_5   H  0.246336    0.036695     0.293492    0.067       Uiso 1   1 calc R  U . . .
C36_5   C  0.5166(2)   0.1532(2)    0.16673(9)  0.0541(11)  Uani 1   1 d    .  . . . .
C37_5   C  0.5181(3)   0.1803(2)    0.14261(11) 0.0702(14)  Uani 1   1 d    .  . . . .
H37_5   H  0.522566    0.216698     0.143348    0.084       Uiso 1   1 calc R  U . . .
C38_5   C  0.5133(3)   0.1551(2)    0.11745(10) 0.0792(18)  Uani 1   1 d    .  . . . .
H38_5   H  0.513828    0.173731     0.100830    0.095       Uiso 1   1 calc R  U . . .
C39_5   C  0.5076(3)   0.1028(2)    0.11649(10) 0.0701(15)  Uani 1   1 d    .  . . . .
H39_5   H  0.503978    0.085316     0.099108    0.084       Uiso 1   1 calc R  U . . .
N40_5   N  0.50710(19) 0.07622(17)  0.13981(8)  0.0585(10)  Uani 1   1 d    .  . . . .
C41_5   C  0.5111(2)   0.1007(2)    0.16419(10) 0.0536(11)  Uani 1   1 d    .  . . . .
H41_5   H  0.510017    0.081172     0.180559    0.064       Uiso 1   1 calc R  U . . .
B1_6    B  0.6188(7)   -0.0011(5)   0.0398(3)   0.154(5)    Uani 1   1 d    D  U . . .
F2_6    F  0.6270(5)   -0.0223(3)   0.01612(15) 0.219(4)    Uani 1   1 d    D  U . . .
F3_6    F  0.6752(5)   0.0213(8)    0.0520(3)   0.347(8)    Uani 1   1 d    D  U . . .
F4_6    F  0.5870(3)   -0.0341(3)   0.05965(13) 0.164(2)    Uani 1   1 d    D  U . . .
F5_6    F  0.6210(7)   0.0465(5)    0.0370(3)   0.351(8)    Uani 1   1 d    D  U . . .
B1_7    B  0.5771(9)   0.2444(9)    0.5404(4)   0.181(7)    Uani 0.8 1 d    D  U P . .
F2_7    F  0.6226(4)   0.2783(4)    0.52439(19) 0.178(3)    Uani 0.8 1 d    D  U P . .
F3_7    F  0.5367(7)   0.2593(8)    0.5404(3)   0.292(8)    Uani 0.8 1 d    D  U P . .
F4_7    F  0.5949(6)   0.2485(7)    0.5683(3)   0.262(6)    Uani 0.8 1 d    D  U P . .
F5_7    F  0.5455(8)   0.1867(7)    0.5366(4)   0.319(9)    Uani 0.8 1 d    D  U P . .
B1_8    B  0.9971(6)   0.3896(9)    0.3692(4)   0.203(7)    Uani 1   1 d    D  U . . .
F2_8    F  0.9765(3)   0.3506(4)    0.34961(15) 0.203(4)    Uani 1   1 d    D  U . . .
F3_8    F  0.9971(8)   0.4366(8)    0.3547(3)   0.341(8)    Uani 1   1 d    D  U . . .
F4_8    F  0.9666(3)   0.3781(4)    0.39269(14) 0.170(3)    Uani 1   1 d    D  U . . .
F5_8    F  1.0524(3)   0.4138(5)    0.3742(3)   0.287(6)    Uani 1   1 d    D  U . . .
B1_9    B  0.9733(11)  0.1900(10)   0.4826(4)   0.221(9)    Uani 0.8 1 d    D  U P . .
F2_9    F  0.9998(6)   0.1909(6)    0.5061(2)   0.246(6)    Uani 0.8 1 d    D  U P . .
F3_9    F  0.9834(7)   0.2430(6)    0.4799(2)   0.259(6)    Uani 0.8 1 d    D  U P . .
F4_9    F  0.9163(7)   0.1555(8)    0.4875(4)   0.300(8)    Uani 0.8 1 d    D  U P . .
F5_9    F  0.9856(5)   0.1642(5)    0.4618(2)   0.260(6)    Uani 0.8 1 d    D  U P . .
B1_10   B  0.7973(12)  0.0080(14)   0.5199(5)   0.212(10)   Uani 0.5 1 d    D  U P . .
F2_10   F  0.7574(11)  -0.0496(11)  0.5258(6)   0.342(14)   Uani 0.5 1 d    D  U P . .
F3_10   F  0.8342(6)   0.0156(6)    0.5388(2)   0.183(6)    Uani 0.5 1 d    D  U P . .
F4_10   F  0.8068(8)   -0.0024(7)   0.4938(3)   0.204(7)    Uani 0.5 1 d    D  U P . .
F5_10   F  0.7625(7)   0.0248(8)    0.5176(3)   0.201(6)    Uani 0.5 1 d    D  U P . .
B1_11   B  0.4211(7)   -0.2457(8)   0.5402(4)   0.217(7)    Uani 1   1 d    D  U . . .
F2_11   F  0.3763(3)   -0.2801(4)   0.52403(19) 0.201(3)    Uani 1   1 d    D  U . . .
F3_11   F  0.4581(6)   -0.2672(8)   0.5384(3)   0.353(8)    Uani 1   1 d    D  U . . .
F4_11   F  0.4535(7)   -0.1889(5)   0.5344(3)   0.345(8)    Uani 1   1 d    D  U . . .
F5_11   F  0.4026(5)   -0.2524(6)   0.5686(2)   0.280(5)    Uani 1   1 d    D  U . . .
N1_12   N  0.4999(3)   -0.0001(2)   0.45424(11) 0.0880(14)  Uani 1   1 d    D  . . . .
C2_12   C  0.4998(3)   0.0003(2)    0.43103(13) 0.0758(14)  Uani 1   1 d    D  . . . .
C3_12   C  0.5001(3)   0.0004(3)    0.40096(12) 0.0815(15)  Uani 1   1 d    D  . . . .
H3A_12  H  0.535223    0.031978     0.394275    0.122       Uiso 1   1 calc R  U . . .
H3B_12  H  0.468619    0.003953     0.394122    0.122       Uiso 1   1 calc R  U . . .
H3C_12  H  0.496644    -0.034626    0.394203    0.122       Uiso 1   1 calc R  U . . .
N1_13   N  0.7175(3)   0.000000     0.333333    0.084(2)    Uani 1   2 d    DS T P . .
C2_13   C  0.6753(3)   0.000000     0.333333    0.0672(18)  Uani 1   2 d    DS T P . .
C3_13   C  0.6213(3)   0.000000     0.333333    0.074(2)    Uani 1   2 d    DS T P . .
H15A_13 H  0.611511    0.004024     0.314327    0.111       Uiso 0.5 1 calc R  U P . .
H15B_13 H  0.625122    0.031247     0.344561    0.111       Uiso 0.5 1 calc R  U P . .
H15C_13 H  0.591863    -0.035271    0.341112    0.111       Uiso 0.5 1 calc R  U P . .
N1_14   N  0.2826(3)   0.000000     0.333333    0.086(2)    Uani 1   2 d    DS T P . .
C2_14   C  0.3247(3)   0.000000     0.333333    0.070(2)    Uani 1   2 d    DS T P . .
C3_14   C  0.3783(3)   0.000000     0.333333    0.072(2)    Uani 1   2 d    DS T P . .
H3A_14  H  0.408014    0.035860     0.340422    0.108       Uiso 0.5 1 calc R  U P . .
H3B_14  H  0.387321    -0.005526    0.314420    0.108       Uiso 0.5 1 calc R  U P . .
H3C_14  H  0.374917    -0.030334    0.345158    0.108       Uiso 0.5 1 calc R  U P . .
N1_15   N  0.6244(3)   0.2484(3)    0.33340(12) 0.0945(15)  Uani 1   1 d    D  . . . .
C2_15   C  0.6003(3)   0.2002(2)    0.33341(12) 0.0711(13)  Uani 1   1 d    D  . . . .
C3_15   C  0.5686(3)   0.1385(2)    0.33339(12) 0.0775(14)  Uani 1   1 d    D  . . . .
H11A_15 H  0.575286    0.124576     0.350811    0.116       Uiso 1   1 calc R  U . . .
H11B_15 H  0.581044    0.124515     0.317877    0.116       Uiso 1   1 calc R  U . . .
H11C_15 H  0.528655    0.125338     0.331480    0.116       Uiso 1   1 calc R  U . . .


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1_1 N40_5_$1 2.016(4)  4 ?
Pd1_1 N34_4    2.019(5)  . ?
Pd1_1 N40_3    2.019(4)  . ?
Pd1_1 N40_2    2.023(5)  . ?
Pd2_1 N1_3     2.015(4)  . ?
Pd2_1 N1_5     2.021(4)  . ?
Pd2_1 N34_2_$1 2.025(4)  4 ?
Pd2_1 N1_4     2.033(4)  . ?
Pd3_1 N34_5    2.024(4)  . ?
Pd3_1 N40_4    2.024(4)  . ?
Pd3_1 N34_5_$1 2.024(4)  4 ?
Pd3_1 N40_4_$1 2.024(4)  4 ?
Pd4_1 N1_2_$1  2.021(4)  4 ?
Pd4_1 N1_2     2.021(4)  . ?
Pd4_1 N34_3_$1 2.032(4)  4 ?
Pd4_1 N34_3    2.032(4)  . ?
N1_2  C6_2     1.335(7)  . ?
N1_2  C2_2     1.346(7)  . ?
C2_2  C3_2     1.405(10) . ?
C3_2  C4_2     1.374(10) . ?
C4_2  C5_2     1.402(8)  . ?
C5_2  C6_2     1.394(7)  . ?
C5_2  C7_2     1.486(8)  . ?
C7_2  C12_2    1.391(8)  . ?
C7_2  C8_2     1.404(8)  . ?
C8_2  C9_2     1.404(8)  . ?
C9_2  C10_2    1.380(9)  . ?
C10_2 C11_2    1.388(8)  . ?
C10_2 O27_2    1.398(6)  . ?
C11_2 C12_2    1.384(8)  . ?
C11_2 P20_2    1.771(6)  . ?
C12_2 O13_2    1.404(7)  . ?
O13_2 C14_2    1.416(7)  . ?
C14_2 C15_2    1.356(9)  . ?
C14_2 C19_2    1.372(8)  . ?
C15_2 C16_2    1.377(9)  . ?
C16_2 C17_2    1.399(8)  . ?
C17_2 C18_2    1.391(8)  . ?
C17_2 C36_2    1.490(8)  . ?
C18_2 O28_2    1.395(6)  . ?
C18_2 C19_2    1.401(8)  . ?
C19_2 P20_2    1.761(6)  . ?
P20_2 O29_2    1.455(5)  . ?
P20_2 C21_2    1.750(6)  . ?
C21_2 C26_2    1.406(8)  . ?
C21_2 C22_2    1.411(7)  . ?
C22_2 C23_2    1.335(8)  . ?
C22_2 O28_2    1.400(7)  . ?
C23_2 C24_2    1.396(8)  . ?
C24_2 C25_2    1.365(7)  . ?
C25_2 C26_2    1.391(7)  . ?
C25_2 C30_2    1.491(8)  . ?
C26_2 O27_2    1.402(6)  . ?
C30_2 C35_2    1.373(7)  . ?
C30_2 C31_2    1.388(8)  . ?
C31_2 C32_2    1.375(10) . ?
C32_2 C33_2    1.360(9)  . ?
C33_2 N34_2    1.346(7)  . ?
N34_2 C35_2    1.353(6)  . ?
C36_2 C41_2    1.387(8)  . ?
C36_2 C37_2    1.404(9)  . ?
C37_2 C38_2    1.317(10) . ?
C38_2 C39_2    1.422(10) . ?
C39_2 N40_2    1.343(7)  . ?
N40_2 C41_2    1.327(7)  . ?
N1_3  C6_3     1.342(7)  . ?
N1_3  C2_3     1.353(7)  . ?
C2_3  C3_3     1.378(9)  . ?
C3_3  C4_3     1.393(8)  . ?
C4_3  C5_3     1.410(7)  . ?
C5_3  C6_3     1.370(7)  . ?
C5_3  C7_3     1.477(7)  . ?
C7_3  C12_3    1.395(7)  . ?
C7_3  C8_3     1.427(7)  . ?
C8_3  C9_3     1.364(8)  . ?
C9_3  C10_3    1.403(8)  . ?
C10_3 O27_3    1.392(7)  . ?
C10_3 C11_3    1.394(7)  . ?
C11_3 C12_3    1.389(7)  . ?
C11_3 P20_3    1.752(5)  . ?
C12_3 O13_3    1.409(6)  . ?
O13_3 C14_3    1.385(5)  . ?
C14_3 C15_3    1.388(7)  . ?
C14_3 C19_3    1.418(7)  . ?
C15_3 C16_3    1.390(7)  . ?
C16_3 C17_3    1.394(7)  . ?
C17_3 C18_3    1.418(7)  . ?
C17_3 C36_3    1.487(7)  . ?
C18_3 C19_3    1.376(7)  . ?
C18_3 O28_3    1.384(6)  . ?
C19_3 P20_3    1.751(5)  . ?
P20_3 O29_3    1.474(4)  . ?
P20_3 C21_3    1.764(5)  . ?
C21_3 C22_3    1.357(7)  . ?
C21_3 C26_3    1.410(7)  . ?
C22_3 C23_3    1.386(8)  . ?
C22_3 O28_3    1.405(6)  . ?
C23_3 C24_3    1.405(8)  . ?
C24_3 C25_3    1.366(7)  . ?
C25_3 C26_3    1.411(7)  . ?
C25_3 C30_3    1.485(8)  . ?
C26_3 O27_3    1.378(6)  . ?
C30_3 C31_3    1.387(8)  . ?
C30_3 C35_3    1.396(7)  . ?
C31_3 C32_3    1.383(9)  . ?
C32_3 C33_3    1.374(9)  . ?
C33_3 N34_3    1.367(7)  . ?
N34_3 C35_3    1.336(6)  . ?
C36_3 C37_3    1.372(7)  . ?
C36_3 C41_3    1.394(7)  . ?
C37_3 C38_3    1.382(8)  . ?
C38_3 C39_3    1.383(8)  . ?
C39_3 N40_3    1.347(6)  . ?
N40_3 C41_3    1.318(6)  . ?
N1_4  C6_4     1.341(7)  . ?
N1_4  C2_4     1.342(7)  . ?
C2_4  C3_4     1.339(9)  . ?
C3_4  C4_4     1.417(10) . ?
C4_4  C5_4     1.378(8)  . ?
C5_4  C6_4     1.386(7)  . ?
C5_4  C7_4     1.488(8)  . ?
C7_4  C8_4     1.383(7)  . ?
C7_4  C12_4    1.398(7)  . ?
C8_4  C9_4     1.386(8)  . ?
C9_4  C10_4    1.356(8)  . ?
C10_4 O27_4    1.388(7)  . ?
C10_4 C11_4    1.388(8)  . ?
C11_4 C12_4    1.429(8)  . ?
C11_4 P20_4    1.744(6)  . ?
C12_4 O13_4    1.396(6)  . ?
O13_4 C14_4    1.399(6)  . ?
C14_4 C15_4    1.353(9)  . ?
C14_4 C19_4    1.412(8)  . ?
C15_4 C16_4    1.429(8)  . ?
C16_4 C17_4    1.408(8)  . ?
C17_4 C18_4    1.374(8)  . ?
C17_4 C36_4    1.484(8)  . ?
C18_4 C19_4    1.391(8)  . ?
C18_4 O28_4    1.407(7)  . ?
C19_4 P20_4    1.761(6)  . ?
P20_4 O29_4    1.460(5)  . ?
P20_4 C21_4    1.774(5)  . ?
C21_4 C22_4    1.385(8)  . ?
C21_4 C26_4    1.392(8)  . ?
C22_4 C23_4    1.341(9)  . ?
C22_4 O28_4    1.433(7)  . ?
C23_4 C24_4    1.357(9)  . ?
C24_4 C25_4    1.410(8)  . ?
C25_4 C26_4    1.404(8)  . ?
C25_4 C30_4    1.470(8)  . ?
C26_4 O27_4    1.380(6)  . ?
C30_4 C35_4    1.383(8)  . ?
C30_4 C31_4    1.391(9)  . ?
C31_4 C32_4    1.355(10) . ?
C32_4 C33_4    1.436(11) . ?
C33_4 N34_4    1.359(7)  . ?
N34_4 C35_4    1.339(7)  . ?
C36_4 C37_4    1.384(8)  . ?
C36_4 C41_4    1.402(7)  . ?
C37_4 C38_4    1.407(10) . ?
C38_4 C39_4    1.373(10) . ?
C39_4 N40_4    1.352(7)  . ?
N40_4 C41_4    1.329(7)  . ?
N1_5  C6_5     1.335(7)  . ?
N1_5  C2_5     1.336(7)  . ?
C2_5  C3_5     1.425(9)  . ?
C3_5  C4_5     1.382(9)  . ?
C4_5  C5_5     1.424(7)  . ?
C5_5  C6_5     1.391(7)  . ?
C5_5  C7_5     1.463(7)  . ?
C7_5  C12_5    1.395(7)  . ?
C7_5  C8_5     1.417(7)  . ?
C8_5  C9_5     1.374(8)  . ?
C9_5  C10_5    1.382(8)  . ?
C10_5 O27_5    1.392(7)  . ?
C10_5 C11_5    1.406(7)  . ?
C11_5 C12_5    1.393(7)  . ?
C11_5 P20_5    1.755(5)  . ?
C12_5 O13_5    1.390(6)  . ?
O13_5 C14_5    1.390(5)  . ?
C14_5 C15_5    1.379(7)  . ?
C14_5 C19_5    1.407(7)  . ?
C15_5 C16_5    1.394(7)  . ?
C16_5 C17_5    1.385(7)  . ?
C17_5 C18_5    1.392(7)  . ?
C17_5 C36_5    1.492(7)  . ?
C18_5 C19_5    1.390(7)  . ?
C18_5 O28_5    1.403(6)  . ?
C19_5 P20_5    1.756(5)  . ?
P20_5 O29_5    1.482(4)  . ?
P20_5 C21_5    1.758(5)  . ?
C21_5 C22_5    1.354(7)  . ?
C21_5 C26_5    1.409(7)  . ?
C22_5 O28_5    1.409(6)  . ?
C22_5 C23_5    1.412(8)  . ?
C23_5 C24_5    1.380(8)  . ?
C24_5 C25_5    1.391(7)  . ?
C25_5 C26_5    1.392(7)  . ?
C25_5 C30_5    1.493(7)  . ?
C26_5 O27_5    1.387(6)  . ?
C30_5 C35_5    1.371(7)  . ?
C30_5 C31_5    1.398(8)  . ?
C31_5 C32_5    1.368(9)  . ?
C32_5 C33_5    1.399(9)  . ?
C33_5 N34_5    1.342(7)  . ?
N34_5 C35_5    1.347(6)  . ?
C36_5 C37_5    1.376(7)  . ?
C36_5 C41_5    1.385(7)  . ?
C37_5 C38_5    1.375(8)  . ?
C38_5 C39_5    1.373(8)  . ?
C39_5 N40_5    1.342(6)  . ?
N40_5 C41_5    1.336(6)  . ?
B1_6  F5_6     1.295(13) . ?
B1_6  F4_6     1.311(13) . ?
B1_6  F2_6     1.356(13) . ?
B1_6  F3_6     1.482(17) . ?
B1_7  F3_7     1.368(18) . ?
B1_7  F2_7     1.372(19) . ?
B1_7  F5_7     1.40(2)   . ?
B1_7  F4_7     1.419(19) . ?
B1_8  F2_8     1.330(16) . ?
B1_8  F5_8     1.348(16) . ?
B1_8  F4_8     1.355(16) . ?
B1_8  F3_8     1.48(2)   . ?
B1_9  F2_9     1.344(19) . ?
B1_9  F3_9     1.35(2)   . ?
B1_9  F5_9     1.37(2)   . ?
B1_9  F4_9     1.39(2)   . ?
B1_10 F5_10    1.26(2)   . ?
B1_10 F3_10    1.31(2)   . ?
B1_10 F4_10    1.35(2)   . ?
B1_10 F2_10    1.44(3)   . ?
B1_11 F2_11    1.370(18) . ?
B1_11 F4_11    1.393(17) . ?
B1_11 F3_11    1.418(18) . ?
B1_11 F5_11    1.443(17) . ?
N1_12 C2_12    1.122(7)  . ?
C2_12 C3_12    1.454(8)  . ?
N1_13 C2_13    1.168(10) . ?
C2_13 C3_13    1.491(11) . ?
N1_14 C2_14    1.163(11) . ?
C2_14 C3_14    1.481(12) . ?
N1_15 C2_15    1.152(8)  . ?
C2_15 C3_15    1.479(8)  . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N40_5 Pd1_1 N34_4    89.11(18)  4 . ?
N40_5 Pd1_1 N40_3    177.38(15) 4 . ?
N34_4 Pd1_1 N40_3    90.79(17)  . . ?
N40_5 Pd1_1 N40_2    90.87(18)  4 . ?
N34_4 Pd1_1 N40_2    177.63(16) . . ?
N40_3 Pd1_1 N40_2    89.13(18)  . . ?
N1_3  Pd2_1 N1_5     177.42(16) . . ?
N1_3  Pd2_1 N34_2_$1 90.04(16)  . 4 ?
N1_5  Pd2_1 N34_2_$1 90.19(16)  . 4 ?
N1_3  Pd2_1 N1_4     90.20(17)  . . ?
N1_5  Pd2_1 N1_4     89.52(17)  . . ?
N34_2 Pd2_1 N1_4     178.79(17) 4 . ?
N34_5 Pd3_1 N40_4    89.62(19)  . . ?
N34_5 Pd3_1 N34_5_$1 177.3(2)   . 4 ?
N40_4 Pd3_1 N34_5_$1 90.33(19)  . 4 ?
N34_5 Pd3_1 N40_4_$1 90.33(19)  . 4 ?
N40_4 Pd3_1 N40_4_$1 178.1(2)   . 4 ?
N34_5 Pd3_1 N40_4_$1 89.63(19)  4 4 ?
N1_2  Pd4_1 N1_2     178.6(2)   4 . ?
N1_2  Pd4_1 N34_3_$1 90.62(18)  4 4 ?
N1_2  Pd4_1 N34_3_$1 89.34(18)  . 4 ?
N1_2  Pd4_1 N34_3    89.34(18)  4 . ?
N1_2  Pd4_1 N34_3    90.62(18)  . . ?
N34_3 Pd4_1 N34_3    176.6(2)   4 . ?
C6_2  N1_2  C2_2     119.6(5)   . . ?
C6_2  N1_2  Pd4_1    119.9(3)   . . ?
C2_2  N1_2  Pd4_1    120.6(4)   . . ?
N1_2  C2_2  C3_2     120.5(6)   . . ?
C4_2  C3_2  C2_2     119.8(6)   . . ?
C3_2  C4_2  C5_2     119.6(6)   . . ?
C6_2  C5_2  C4_2     117.2(5)   . . ?
C6_2  C5_2  C7_2     120.3(5)   . . ?
C4_2  C5_2  C7_2     122.4(5)   . . ?
N1_2  C6_2  C5_2     123.3(5)   . . ?
C12_2 C7_2  C8_2     117.4(5)   . . ?
C12_2 C7_2  C5_2     121.5(5)   . . ?
C8_2  C7_2  C5_2     120.9(5)   . . ?
C7_2  C8_2  C9_2     122.1(5)   . . ?
C10_2 C9_2  C8_2     118.2(5)   . . ?
C9_2  C10_2 C11_2    120.3(5)   . . ?
C9_2  C10_2 O27_2    118.9(5)   . . ?
C11_2 C10_2 O27_2    120.8(6)   . . ?
C12_2 C11_2 C10_2    120.6(5)   . . ?
C12_2 C11_2 P20_2    119.3(4)   . . ?
C10_2 C11_2 P20_2    118.8(4)   . . ?
C11_2 C12_2 C7_2     120.6(5)   . . ?
C11_2 C12_2 O13_2    121.0(5)   . . ?
C7_2  C12_2 O13_2    118.1(5)   . . ?
C12_2 O13_2 C14_2    115.3(4)   . . ?
C15_2 C14_2 C19_2    121.5(6)   . . ?
C15_2 C14_2 O13_2    118.7(5)   . . ?
C19_2 C14_2 O13_2    119.8(5)   . . ?
C14_2 C15_2 C16_2    118.7(6)   . . ?
C15_2 C16_2 C17_2    122.4(6)   . . ?
C18_2 C17_2 C16_2    117.3(5)   . . ?
C18_2 C17_2 C36_2    121.6(5)   . . ?
C16_2 C17_2 C36_2    121.1(5)   . . ?
C17_2 C18_2 O28_2    119.2(5)   . . ?
C17_2 C18_2 C19_2    119.8(5)   . . ?
O28_2 C18_2 C19_2    121.0(5)   . . ?
C14_2 C19_2 C18_2    119.3(5)   . . ?
C14_2 C19_2 P20_2    120.9(4)   . . ?
C18_2 C19_2 P20_2    118.6(4)   . . ?
O29_2 P20_2 C21_2    119.7(3)   . . ?
O29_2 P20_2 C19_2    120.1(3)   . . ?
C21_2 P20_2 C19_2    97.9(3)    . . ?
O29_2 P20_2 C11_2    118.9(3)   . . ?
C21_2 P20_2 C11_2    98.2(3)    . . ?
C19_2 P20_2 C11_2    97.1(3)    . . ?
C26_2 C21_2 C22_2    118.6(5)   . . ?
C26_2 C21_2 P20_2    119.7(4)   . . ?
C22_2 C21_2 P20_2    120.7(4)   . . ?
C23_2 C22_2 O28_2    120.9(5)   . . ?
C23_2 C22_2 C21_2    120.7(5)   . . ?
O28_2 C22_2 C21_2    118.4(5)   . . ?
C22_2 C23_2 C24_2    118.7(5)   . . ?
C25_2 C24_2 C23_2    123.9(5)   . . ?
C24_2 C25_2 C26_2    116.8(5)   . . ?
C24_2 C25_2 C30_2    122.3(5)   . . ?
C26_2 C25_2 C30_2    120.8(4)   . . ?
C25_2 C26_2 O27_2    119.9(5)   . . ?
C25_2 C26_2 C21_2    120.5(5)   . . ?
O27_2 C26_2 C21_2    119.5(5)   . . ?
C10_2 O27_2 C26_2    116.2(4)   . . ?
C18_2 O28_2 C22_2    115.8(4)   . . ?
C35_2 C30_2 C31_2    117.2(5)   . . ?
C35_2 C30_2 C25_2    120.1(5)   . . ?
C31_2 C30_2 C25_2    122.6(5)   . . ?
C32_2 C31_2 C30_2    118.9(5)   . . ?
C33_2 C32_2 C31_2    121.4(6)   . . ?
N34_2 C33_2 C32_2    120.5(6)   . . ?
C33_2 N34_2 C35_2    118.4(5)   . . ?
C33_2 N34_2 Pd2_1_$1 121.8(4)   . 4 ?
C35_2 N34_2 Pd2_1_$1 119.8(3)   . 4 ?
N34_2 C35_2 C30_2    123.6(5)   . . ?
C41_2 C36_2 C37_2    115.9(5)   . . ?
C41_2 C36_2 C17_2    121.0(5)   . . ?
C37_2 C36_2 C17_2    123.0(6)   . . ?
C38_2 C37_2 C36_2    121.4(7)   . . ?
C37_2 C38_2 C39_2    119.5(6)   . . ?
N40_2 C39_2 C38_2    120.1(6)   . . ?
C41_2 N40_2 C39_2    119.0(5)   . . ?
C41_2 N40_2 Pd1_1    120.9(4)   . . ?
C39_2 N40_2 Pd1_1    119.9(4)   . . ?
N40_2 C41_2 C36_2    123.9(5)   . . ?
C6_3  N1_3  C2_3     117.1(5)   . . ?
C6_3  N1_3  Pd2_1    120.0(3)   . . ?
C2_3  N1_3  Pd2_1    122.9(4)   . . ?
N1_3  C2_3  C3_3     123.5(5)   . . ?
C2_3  C3_3  C4_3     118.2(5)   . . ?
C3_3  C4_3  C5_3     119.2(5)   . . ?
C6_3  C5_3  C4_3     117.6(5)   . . ?
C6_3  C5_3  C7_3     121.1(5)   . . ?
C4_3  C5_3  C7_3     121.3(5)   . . ?
N1_3  C6_3  C5_3     124.4(5)   . . ?
C12_3 C7_3  C8_3     115.8(5)   . . ?
C12_3 C7_3  C5_3     121.6(5)   . . ?
C8_3  C7_3  C5_3     122.6(5)   . . ?
C9_3  C8_3  C7_3     123.0(5)   . . ?
C8_3  C9_3  C10_3    118.6(5)   . . ?
O27_3 C10_3 C11_3    120.7(5)   . . ?
O27_3 C10_3 C9_3     118.6(5)   . . ?
C11_3 C10_3 C9_3     120.6(5)   . . ?
C12_3 C11_3 C10_3    118.7(5)   . . ?
C12_3 C11_3 P20_3    120.3(4)   . . ?
C10_3 C11_3 P20_3    119.1(4)   . . ?
C11_3 C12_3 C7_3     122.3(5)   . . ?
C11_3 C12_3 O13_3    119.4(4)   . . ?
C7_3  C12_3 O13_3    118.2(4)   . . ?
C14_3 O13_3 C12_3    115.9(4)   . . ?
O13_3 C14_3 C15_3    119.2(4)   . . ?
O13_3 C14_3 C19_3    120.5(4)   . . ?
C15_3 C14_3 C19_3    120.3(4)   . . ?
C14_3 C15_3 C16_3    118.0(5)   . . ?
C15_3 C16_3 C17_3    123.3(4)   . . ?
C16_3 C17_3 C18_3    117.2(4)   . . ?
C16_3 C17_3 C36_3    122.1(4)   . . ?
C18_3 C17_3 C36_3    120.6(4)   . . ?
C19_3 C18_3 O28_3    120.7(4)   . . ?
C19_3 C18_3 C17_3    120.4(4)   . . ?
O28_3 C18_3 C17_3    118.8(4)   . . ?
C18_3 C19_3 C14_3    119.6(4)   . . ?
C18_3 C19_3 P20_3    120.4(4)   . . ?
C14_3 C19_3 P20_3    118.5(4)   . . ?
O29_3 P20_3 C19_3    119.0(2)   . . ?
O29_3 P20_3 C11_3    119.0(2)   . . ?
C19_3 P20_3 C11_3    98.8(2)    . . ?
O29_3 P20_3 C21_3    119.4(2)   . . ?
C19_3 P20_3 C21_3    97.0(2)    . . ?
C11_3 P20_3 C21_3    99.2(2)    . . ?
C22_3 C21_3 C26_3    120.8(5)   . . ?
C22_3 C21_3 P20_3    120.3(4)   . . ?
C26_3 C21_3 P20_3    117.7(4)   . . ?
C21_3 C22_3 C23_3    121.7(5)   . . ?
C21_3 C22_3 O28_3    120.8(5)   . . ?
C23_3 C22_3 O28_3    117.4(4)   . . ?
C22_3 C23_3 C24_3    116.5(5)   . . ?
C25_3 C24_3 C23_3    124.0(5)   . . ?
C24_3 C25_3 C26_3    117.8(5)   . . ?
C24_3 C25_3 C30_3    121.9(5)   . . ?
C26_3 C25_3 C30_3    120.3(5)   . . ?
O27_3 C26_3 C21_3    121.6(4)   . . ?
O27_3 C26_3 C25_3    119.5(5)   . . ?
C21_3 C26_3 C25_3    118.7(5)   . . ?
C26_3 O27_3 C10_3    116.6(4)   . . ?
C18_3 O28_3 C22_3    115.4(4)   . . ?
C31_3 C30_3 C35_3    116.7(5)   . . ?
C31_3 C30_3 C25_3    123.8(5)   . . ?
C35_3 C30_3 C25_3    119.4(4)   . . ?
C32_3 C31_3 C30_3    119.8(6)   . . ?
C33_3 C32_3 C31_3    121.2(6)   . . ?
N34_3 C33_3 C32_3    118.7(6)   . . ?
C35_3 N34_3 C33_3    120.2(5)   . . ?
C35_3 N34_3 Pd4_1    118.9(3)   . . ?
C33_3 N34_3 Pd4_1    120.9(4)   . . ?
N34_3 C35_3 C30_3    123.1(5)   . . ?
C37_3 C36_3 C41_3    116.9(4)   . . ?
C37_3 C36_3 C17_3    122.4(4)   . . ?
C41_3 C36_3 C17_3    120.7(4)   . . ?
C36_3 C37_3 C38_3    120.4(5)   . . ?
C37_3 C38_3 C39_3    118.9(5)   . . ?
N40_3 C39_3 C38_3    121.0(5)   . . ?
C41_3 N40_3 C39_3    119.2(4)   . . ?
C41_3 N40_3 Pd1_1    119.3(3)   . . ?
C39_3 N40_3 Pd1_1    121.5(3)   . . ?
N40_3 C41_3 C36_3    123.6(4)   . . ?
C6_4  N1_4  C2_4     119.0(5)   . . ?
C6_4  N1_4  Pd2_1    119.2(3)   . . ?
C2_4  N1_4  Pd2_1    121.8(4)   . . ?
C3_4  C2_4  N1_4     121.5(6)   . . ?
C2_4  C3_4  C4_4     120.2(6)   . . ?
C5_4  C4_4  C3_4     118.7(5)   . . ?
C4_4  C5_4  C6_4     117.2(5)   . . ?
C4_4  C5_4  C7_4     121.9(5)   . . ?
C6_4  C5_4  C7_4     120.8(5)   . . ?
N1_4  C6_4  C5_4     123.3(5)   . . ?
C8_4  C7_4  C12_4    117.1(5)   . . ?
C8_4  C7_4  C5_4     122.3(4)   . . ?
C12_4 C7_4  C5_4     120.6(4)   . . ?
C7_4  C8_4  C9_4     123.5(5)   . . ?
C10_4 C9_4  C8_4     118.8(5)   . . ?
C9_4  C10_4 O27_4    120.6(5)   . . ?
C9_4  C10_4 C11_4    121.3(5)   . . ?
O27_4 C10_4 C11_4    118.1(5)   . . ?
C10_4 C11_4 C12_4    118.7(5)   . . ?
C10_4 C11_4 P20_4    121.5(4)   . . ?
C12_4 C11_4 P20_4    118.7(4)   . . ?
O13_4 C12_4 C7_4     119.7(5)   . . ?
O13_4 C12_4 C11_4    120.0(4)   . . ?
C7_4  C12_4 C11_4    120.0(5)   . . ?
C12_4 O13_4 C14_4    116.9(4)   . . ?
C15_4 C14_4 O13_4    120.3(5)   . . ?
C15_4 C14_4 C19_4    120.2(5)   . . ?
O13_4 C14_4 C19_4    119.4(5)   . . ?
C14_4 C15_4 C16_4    119.7(5)   . . ?
C17_4 C16_4 C15_4    120.2(6)   . . ?
C18_4 C17_4 C16_4    118.0(5)   . . ?
C18_4 C17_4 C36_4    122.3(5)   . . ?
C16_4 C17_4 C36_4    119.7(5)   . . ?
C17_4 C18_4 C19_4    121.8(5)   . . ?
C17_4 C18_4 O28_4    117.6(5)   . . ?
C19_4 C18_4 O28_4    120.4(5)   . . ?
C18_4 C19_4 C14_4    119.1(5)   . . ?
C18_4 C19_4 P20_4    120.2(4)   . . ?
C14_4 C19_4 P20_4    119.5(4)   . . ?
O29_4 P20_4 C11_4    119.4(3)   . . ?
O29_4 P20_4 C19_4    119.8(3)   . . ?
C11_4 P20_4 C19_4    98.6(3)    . . ?
O29_4 P20_4 C21_4    119.2(3)   . . ?
C11_4 P20_4 C21_4    97.5(3)    . . ?
C19_4 P20_4 C21_4    97.5(3)    . . ?
C22_4 C21_4 C26_4    119.6(5)   . . ?
C22_4 C21_4 P20_4    120.3(4)   . . ?
C26_4 C21_4 P20_4    118.4(4)   . . ?
C23_4 C22_4 C21_4    120.5(6)   . . ?
C23_4 C22_4 O28_4    119.8(5)   . . ?
C21_4 C22_4 O28_4    119.7(5)   . . ?
C22_4 C23_4 C24_4    120.3(6)   . . ?
C23_4 C24_4 C25_4    122.3(6)   . . ?
C26_4 C25_4 C24_4    116.4(6)   . . ?
C26_4 C25_4 C30_4    122.0(5)   . . ?
C24_4 C25_4 C30_4    121.6(5)   . . ?
O27_4 C26_4 C21_4    120.8(5)   . . ?
O27_4 C26_4 C25_4    119.7(5)   . . ?
C21_4 C26_4 C25_4    119.5(5)   . . ?
C26_4 O27_4 C10_4    116.6(4)   . . ?
C18_4 O28_4 C22_4    115.0(4)   . . ?
C35_4 C30_4 C31_4    117.0(5)   . . ?
C35_4 C30_4 C25_4    120.4(5)   . . ?
C31_4 C30_4 C25_4    122.5(6)   . . ?
C32_4 C31_4 C30_4    120.3(6)   . . ?
C31_4 C32_4 C33_4    120.5(6)   . . ?
N34_4 C33_4 C32_4    118.3(6)   . . ?
C35_4 N34_4 C33_4    119.6(5)   . . ?
C35_4 N34_4 Pd1_1    121.6(4)   . . ?
C33_4 N34_4 Pd1_1    118.7(4)   . . ?
N34_4 C35_4 C30_4    124.2(5)   . . ?
C37_4 C36_4 C41_4    118.3(5)   . . ?
C37_4 C36_4 C17_4    122.1(5)   . . ?
C41_4 C36_4 C17_4    119.6(5)   . . ?
C36_4 C37_4 C38_4    118.9(6)   . . ?
C39_4 C38_4 C37_4    118.8(6)   . . ?
N40_4 C39_4 C38_4    122.5(6)   . . ?
C41_4 N40_4 C39_4    118.7(5)   . . ?
C41_4 N40_4 Pd3_1    120.0(3)   . . ?
C39_4 N40_4 Pd3_1    121.3(4)   . . ?
N40_4 C41_4 C36_4    122.7(5)   . . ?
C6_5  N1_5  C2_5     118.6(5)   . . ?
C6_5  N1_5  Pd2_1    119.9(3)   . . ?
C2_5  N1_5  Pd2_1    121.5(4)   . . ?
N1_5  C2_5  C3_5     121.7(5)   . . ?
C4_5  C3_5  C2_5     118.6(5)   . . ?
C3_5  C4_5  C5_5     119.9(5)   . . ?
C6_5  C5_5  C4_5     116.0(5)   . . ?
C6_5  C5_5  C7_5     121.3(4)   . . ?
C4_5  C5_5  C7_5     122.6(5)   . . ?
N1_5  C6_5  C5_5     125.1(5)   . . ?
C12_5 C7_5  C8_5     117.0(5)   . . ?
C12_5 C7_5  C5_5     121.2(4)   . . ?
C8_5  C7_5  C5_5     121.8(5)   . . ?
C9_5  C8_5  C7_5     122.5(5)   . . ?
C8_5  C9_5  C10_5    119.0(5)   . . ?
C9_5  C10_5 O27_5    119.4(5)   . . ?
C9_5  C10_5 C11_5    120.5(5)   . . ?
O27_5 C10_5 C11_5    120.1(5)   . . ?
C12_5 C11_5 C10_5    119.1(5)   . . ?
C12_5 C11_5 P20_5    120.3(4)   . . ?
C10_5 C11_5 P20_5    119.0(4)   . . ?
O13_5 C12_5 C11_5    119.5(4)   . . ?
O13_5 C12_5 C7_5     119.2(4)   . . ?
C11_5 C12_5 C7_5     121.1(4)   . . ?
C12_5 O13_5 C14_5    116.2(4)   . . ?
C15_5 C14_5 O13_5    119.8(4)   . . ?
C15_5 C14_5 C19_5    119.6(4)   . . ?
O13_5 C14_5 C19_5    120.5(4)   . . ?
C14_5 C15_5 C16_5    119.0(4)   . . ?
C17_5 C16_5 C15_5    122.4(5)   . . ?
C16_5 C17_5 C18_5    117.8(5)   . . ?
C16_5 C17_5 C36_5    121.5(4)   . . ?
C18_5 C17_5 C36_5    120.6(4)   . . ?
C19_5 C18_5 C17_5    120.7(5)   . . ?
C19_5 C18_5 O28_5    119.7(4)   . . ?
C17_5 C18_5 O28_5    119.4(4)   . . ?
C18_5 C19_5 C14_5    119.6(4)   . . ?
C18_5 C19_5 P20_5    120.4(4)   . . ?
C14_5 C19_5 P20_5    118.8(4)   . . ?
O29_5 P20_5 C11_5    119.3(2)   . . ?
O29_5 P20_5 C19_5    119.2(2)   . . ?
C11_5 P20_5 C19_5    98.1(2)    . . ?
O29_5 P20_5 C21_5    119.1(2)   . . ?
C11_5 P20_5 C21_5    99.1(2)    . . ?
C19_5 P20_5 C21_5    97.5(2)    . . ?
C22_5 C21_5 C26_5    120.3(5)   . . ?
C22_5 C21_5 P20_5    119.9(4)   . . ?
C26_5 C21_5 P20_5    118.4(4)   . . ?
C21_5 C22_5 O28_5    121.7(4)   . . ?
C21_5 C22_5 C23_5    121.6(5)   . . ?
O28_5 C22_5 C23_5    116.6(4)   . . ?
C24_5 C23_5 C22_5    115.8(5)   . . ?
C23_5 C24_5 C25_5    124.8(5)   . . ?
C24_5 C25_5 C26_5    116.9(5)   . . ?
C24_5 C25_5 C30_5    122.5(5)   . . ?
C26_5 C25_5 C30_5    120.5(4)   . . ?
O27_5 C26_5 C25_5    119.3(5)   . . ?
O27_5 C26_5 C21_5    120.7(4)   . . ?
C25_5 C26_5 C21_5    119.8(4)   . . ?
C26_5 O27_5 C10_5    117.1(4)   . . ?
C18_5 O28_5 C22_5    115.2(4)   . . ?
C35_5 C30_5 C31_5    116.6(5)   . . ?
C35_5 C30_5 C25_5    120.2(5)   . . ?
C31_5 C30_5 C25_5    123.0(5)   . . ?
C32_5 C31_5 C30_5    120.5(6)   . . ?
C31_5 C32_5 C33_5    119.3(6)   . . ?
N34_5 C33_5 C32_5    120.6(6)   . . ?
C33_5 N34_5 C35_5    119.0(5)   . . ?
C33_5 N34_5 Pd3_1    121.9(4)   . . ?
C35_5 N34_5 Pd3_1    119.1(3)   . . ?
N34_5 C35_5 C30_5    123.9(4)   . . ?
C37_5 C36_5 C41_5    116.9(4)   . . ?
C37_5 C36_5 C17_5    123.2(4)   . . ?
C41_5 C36_5 C17_5    119.8(4)   . . ?
C38_5 C37_5 C36_5    120.3(5)   . . ?
C39_5 C38_5 C37_5    119.6(5)   . . ?
N40_5 C39_5 C38_5    120.8(5)   . . ?
C41_5 N40_5 C39_5    119.2(4)   . . ?
C41_5 N40_5 Pd1_1_$1 119.2(3)   . 4 ?
C39_5 N40_5 Pd1_1_$1 121.6(3)   . 4 ?
N40_5 C41_5 C36_5    123.1(4)   . . ?
F5_6  B1_6  F4_6     117.2(12)  . . ?
F5_6  B1_6  F2_6     114.7(13)  . . ?
F4_6  B1_6  F2_6     121.0(10)  . . ?
F5_6  B1_6  F3_6     96.4(14)   . . ?
F4_6  B1_6  F3_6     101.5(14)  . . ?
F2_6  B1_6  F3_6     98.6(12)   . . ?
F3_7  B1_7  F2_7     113.7(18)  . . ?
F3_7  B1_7  F5_7     101.8(18)  . . ?
F2_7  B1_7  F5_7     122.9(15)  . . ?
F3_7  B1_7  F4_7     106.3(14)  . . ?
F2_7  B1_7  F4_7     108.5(16)  . . ?
F5_7  B1_7  F4_7     102.1(18)  . . ?
F2_8  B1_8  F5_8     116.8(15)  . . ?
F2_8  B1_8  F4_8     116.3(13)  . . ?
F5_8  B1_8  F4_8     112.4(15)  . . ?
F2_8  B1_8  F3_8     100.7(16)  . . ?
F5_8  B1_8  F3_8     98.5(15)   . . ?
F4_8  B1_8  F3_8     109.4(16)  . . ?
F2_9  B1_9  F3_9     104.1(15)  . . ?
F2_9  B1_9  F5_9     110.8(17)  . . ?
F3_9  B1_9  F5_9     122(2)     . . ?
F2_9  B1_9  F4_9     107(2)     . . ?
F3_9  B1_9  F4_9     108(2)     . . ?
F5_9  B1_9  F4_9     105.0(16)  . . ?
F5_10 B1_10 F3_10    133(2)     . . ?
F5_10 B1_10 F4_10    105.1(18)  . . ?
F3_10 B1_10 F4_10    118(2)     . . ?
F5_10 B1_10 F2_10    97(2)      . . ?
F3_10 B1_10 F2_10    98(2)      . . ?
F4_10 B1_10 F2_10    94(2)      . . ?
F2_11 B1_11 F4_11    121.0(15)  . . ?
F2_11 B1_11 F3_11    105.3(17)  . . ?
F4_11 B1_11 F3_11    105.6(14)  . . ?
F2_11 B1_11 F5_11    108.4(12)  . . ?
F4_11 B1_11 F5_11    108.8(17)  . . ?
F3_11 B1_11 F5_11    106.8(14)  . . ?
N1_12 C2_12 C3_12    179.3(8)   . . ?
N1_13 C2_13 C3_13    180.0      . . ?
N1_14 C2_14 C3_14    180.0      . . ?
N1_15 C2_15 C3_15    179.2(8)   . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_2  N1_2  C2_2  C3_2  2.7(11)   . . . . ?
Pd4_1 N1_2  C2_2  C3_2  -178.6(7) . . . . ?
N1_2  C2_2  C3_2  C4_2  -2.2(14)  . . . . ?
C2_2  C3_2  C4_2  C5_2  1.3(14)   . . . . ?
C3_2  C4_2  C5_2  C6_2  -0.9(11)  . . . . ?
C3_2  C4_2  C5_2  C7_2  180.0(7)  . . . . ?
C2_2  N1_2  C6_2  C5_2  -2.4(9)   . . . . ?
Pd4_1 N1_2  C6_2  C5_2  178.9(4)  . . . . ?
C4_2  C5_2  C6_2  N1_2  1.4(9)    . . . . ?
C7_2  C5_2  C6_2  N1_2  -179.4(5) . . . . ?
C6_2  C5_2  C7_2  C12_2 -43.6(8)  . . . . ?
C4_2  C5_2  C7_2  C12_2 135.5(7)  . . . . ?
C6_2  C5_2  C7_2  C8_2  131.8(6)  . . . . ?
C4_2  C5_2  C7_2  C8_2  -49.1(9)  . . . . ?
C12_2 C7_2  C8_2  C9_2  -3.4(9)   . . . . ?
C5_2  C7_2  C8_2  C9_2  -179.0(5) . . . . ?
C7_2  C8_2  C9_2  C10_2 5.9(9)    . . . . ?
C8_2  C9_2  C10_2 C11_2 -0.3(8)   . . . . ?
C8_2  C9_2  C10_2 O27_2 -179.1(5) . . . . ?
C9_2  C10_2 C11_2 C12_2 -7.5(8)   . . . . ?
O27_2 C10_2 C11_2 C12_2 171.2(5)  . . . . ?
C9_2  C10_2 C11_2 P20_2 -174.4(4) . . . . ?
O27_2 C10_2 C11_2 P20_2 4.4(7)    . . . . ?
C10_2 C11_2 C12_2 C7_2  10.0(8)   . . . . ?
P20_2 C11_2 C12_2 C7_2  176.8(4)  . . . . ?
C10_2 C11_2 C12_2 O13_2 -163.7(5) . . . . ?
P20_2 C11_2 C12_2 O13_2 3.1(7)    . . . . ?
C8_2  C7_2  C12_2 C11_2 -4.5(8)   . . . . ?
C5_2  C7_2  C12_2 C11_2 171.0(5)  . . . . ?
C8_2  C7_2  C12_2 O13_2 169.4(5)  . . . . ?
C5_2  C7_2  C12_2 O13_2 -15.1(8)  . . . . ?
C11_2 C12_2 O13_2 C14_2 42.4(8)   . . . . ?
C7_2  C12_2 O13_2 C14_2 -131.5(5) . . . . ?
C12_2 O13_2 C14_2 C15_2 134.2(6)  . . . . ?
C12_2 O13_2 C14_2 C19_2 -45.9(8)  . . . . ?
C19_2 C14_2 C15_2 C16_2 3.4(10)   . . . . ?
O13_2 C14_2 C15_2 C16_2 -176.8(5) . . . . ?
C14_2 C15_2 C16_2 C17_2 0.1(10)   . . . . ?
C15_2 C16_2 C17_2 C18_2 2.7(9)    . . . . ?
C15_2 C16_2 C17_2 C36_2 -175.7(6) . . . . ?
C16_2 C17_2 C18_2 O28_2 169.4(5)  . . . . ?
C36_2 C17_2 C18_2 O28_2 -12.2(9)  . . . . ?
C16_2 C17_2 C18_2 C19_2 -8.9(9)   . . . . ?
C36_2 C17_2 C18_2 C19_2 169.4(5)  . . . . ?
C15_2 C14_2 C19_2 C18_2 -9.7(9)   . . . . ?
O13_2 C14_2 C19_2 C18_2 170.5(5)  . . . . ?
C15_2 C14_2 C19_2 P20_2 -176.9(5) . . . . ?
O13_2 C14_2 C19_2 P20_2 3.2(8)    . . . . ?
C17_2 C18_2 C19_2 C14_2 12.5(9)   . . . . ?
O28_2 C18_2 C19_2 C14_2 -165.9(5) . . . . ?
C17_2 C18_2 C19_2 P20_2 -180.0(5) . . . . ?
O28_2 C18_2 C19_2 P20_2 1.7(8)    . . . . ?
C14_2 C19_2 P20_2 O29_2 -96.8(5)  . . . . ?
C18_2 C19_2 P20_2 O29_2 95.9(5)   . . . . ?
C14_2 C19_2 P20_2 C21_2 132.0(5)  . . . . ?
C18_2 C19_2 P20_2 C21_2 -35.3(5)  . . . . ?
C14_2 C19_2 P20_2 C11_2 32.7(5)   . . . . ?
C18_2 C19_2 P20_2 C11_2 -134.6(5) . . . . ?
C12_2 C11_2 P20_2 O29_2 94.6(5)   . . . . ?
C10_2 C11_2 P20_2 O29_2 -98.4(5)  . . . . ?
C12_2 C11_2 P20_2 C21_2 -134.7(5) . . . . ?
C10_2 C11_2 P20_2 C21_2 32.3(5)   . . . . ?
C12_2 C11_2 P20_2 C19_2 -35.7(5)  . . . . ?
C10_2 C11_2 P20_2 C19_2 131.3(5)  . . . . ?
O29_2 P20_2 C21_2 C26_2 93.6(5)   . . . . ?
C19_2 P20_2 C21_2 C26_2 -134.9(5) . . . . ?
C11_2 P20_2 C21_2 C26_2 -36.5(5)  . . . . ?
O29_2 P20_2 C21_2 C22_2 -98.4(5)  . . . . ?
C19_2 P20_2 C21_2 C22_2 33.1(5)   . . . . ?
C11_2 P20_2 C21_2 C22_2 131.5(5)  . . . . ?
C26_2 C21_2 C22_2 C23_2 -8.7(8)   . . . . ?
P20_2 C21_2 C22_2 C23_2 -176.8(5) . . . . ?
C26_2 C21_2 C22_2 O28_2 171.5(5)  . . . . ?
P20_2 C21_2 C22_2 O28_2 3.3(7)    . . . . ?
O28_2 C22_2 C23_2 C24_2 -177.4(5) . . . . ?
C21_2 C22_2 C23_2 C24_2 2.8(9)    . . . . ?
C22_2 C23_2 C24_2 C25_2 0.5(9)    . . . . ?
C23_2 C24_2 C25_2 C26_2 2.3(9)    . . . . ?
C23_2 C24_2 C25_2 C30_2 -177.4(5) . . . . ?
C24_2 C25_2 C26_2 O27_2 167.3(5)  . . . . ?
C30_2 C25_2 C26_2 O27_2 -13.0(8)  . . . . ?
C24_2 C25_2 C26_2 C21_2 -8.3(8)   . . . . ?
C30_2 C25_2 C26_2 C21_2 171.4(5)  . . . . ?
C22_2 C21_2 C26_2 C25_2 11.5(8)   . . . . ?
P20_2 C21_2 C26_2 C25_2 179.7(4)  . . . . ?
C22_2 C21_2 C26_2 O27_2 -164.1(5) . . . . ?
P20_2 C21_2 C26_2 O27_2 4.2(7)    . . . . ?
C9_2  C10_2 O27_2 C26_2 131.7(5)  . . . . ?
C11_2 C10_2 O27_2 C26_2 -47.1(7)  . . . . ?
C25_2 C26_2 O27_2 C10_2 -133.4(6) . . . . ?
C21_2 C26_2 O27_2 C10_2 42.2(7)   . . . . ?
C17_2 C18_2 O28_2 C22_2 -133.5(6) . . . . ?
C19_2 C18_2 O28_2 C22_2 44.9(8)   . . . . ?
C23_2 C22_2 O28_2 C18_2 133.0(6)  . . . . ?
C21_2 C22_2 O28_2 C18_2 -47.2(7)  . . . . ?
C24_2 C25_2 C30_2 C35_2 133.3(6)  . . . . ?
C26_2 C25_2 C30_2 C35_2 -46.4(8)  . . . . ?
C24_2 C25_2 C30_2 C31_2 -43.4(8)  . . . . ?
C26_2 C25_2 C30_2 C31_2 136.9(6)  . . . . ?
C35_2 C30_2 C31_2 C32_2 0.5(9)    . . . . ?
C25_2 C30_2 C31_2 C32_2 177.3(6)  . . . . ?
C30_2 C31_2 C32_2 C33_2 -0.8(11)  . . . . ?
C31_2 C32_2 C33_2 N34_2 -0.4(11)  . . . . ?
C32_2 C33_2 N34_2 C35_2 1.8(9)    . . . . ?
C32_2 C33_2 N34_2 Pd2_1 -178.1(5) . . . 4 ?
C33_2 N34_2 C35_2 C30_2 -2.2(8)   . . . . ?
Pd2_1 N34_2 C35_2 C30_2 177.7(4)  4 . . . ?
C31_2 C30_2 C35_2 N34_2 1.0(8)    . . . . ?
C25_2 C30_2 C35_2 N34_2 -175.9(5) . . . . ?
C18_2 C17_2 C36_2 C41_2 -43.1(8)  . . . . ?
C16_2 C17_2 C36_2 C41_2 135.3(6)  . . . . ?
C18_2 C17_2 C36_2 C37_2 140.3(7)  . . . . ?
C16_2 C17_2 C36_2 C37_2 -41.4(9)  . . . . ?
C41_2 C36_2 C37_2 C38_2 -3.5(11)  . . . . ?
C17_2 C36_2 C37_2 C38_2 173.3(8)  . . . . ?
C36_2 C37_2 C38_2 C39_2 6.2(14)   . . . . ?
C37_2 C38_2 C39_2 N40_2 -5.1(13)  . . . . ?
C38_2 C39_2 N40_2 C41_2 1.4(10)   . . . . ?
C38_2 C39_2 N40_2 Pd1_1 -174.4(6) . . . . ?
C39_2 N40_2 C41_2 C36_2 1.3(8)    . . . . ?
Pd1_1 N40_2 C41_2 C36_2 177.0(4)  . . . . ?
C37_2 C36_2 C41_2 N40_2 -0.4(8)   . . . . ?
C17_2 C36_2 C41_2 N40_2 -177.3(5) . . . . ?
C6_3  N1_3  C2_3  C3_3  2.5(9)    . . . . ?
Pd2_1 N1_3  C2_3  C3_3  -176.2(5) . . . . ?
N1_3  C2_3  C3_3  C4_3  -1.3(10)  . . . . ?
C2_3  C3_3  C4_3  C5_3  -0.1(9)   . . . . ?
C3_3  C4_3  C5_3  C6_3  0.2(8)    . . . . ?
C3_3  C4_3  C5_3  C7_3  178.9(5)  . . . . ?
C2_3  N1_3  C6_3  C5_3  -2.4(7)   . . . . ?
Pd2_1 N1_3  C6_3  C5_3  176.3(4)  . . . . ?
C4_3  C5_3  C6_3  N1_3  1.0(7)    . . . . ?
C7_3  C5_3  C6_3  N1_3  -177.6(4) . . . . ?
C6_3  C5_3  C7_3  C12_3 -43.4(7)  . . . . ?
C4_3  C5_3  C7_3  C12_3 138.0(5)  . . . . ?
C6_3  C5_3  C7_3  C8_3  136.5(5)  . . . . ?
C4_3  C5_3  C7_3  C8_3  -42.1(7)  . . . . ?
C12_3 C7_3  C8_3  C9_3  1.4(8)    . . . . ?
C5_3  C7_3  C8_3  C9_3  -178.5(5) . . . . ?
C7_3  C8_3  C9_3  C10_3 2.5(8)    . . . . ?
C8_3  C9_3  C10_3 O27_3 -175.4(5) . . . . ?
C8_3  C9_3  C10_3 C11_3 0.7(8)    . . . . ?
O27_3 C10_3 C11_3 C12_3 168.3(4)  . . . . ?
C9_3  C10_3 C11_3 C12_3 -7.7(7)   . . . . ?
O27_3 C10_3 C11_3 P20_3 3.7(6)    . . . . ?
C9_3  C10_3 C11_3 P20_3 -172.2(4) . . . . ?
C10_3 C11_3 C12_3 C7_3  12.1(7)   . . . . ?
P20_3 C11_3 C12_3 C7_3  176.4(4)  . . . . ?
C10_3 C11_3 C12_3 O13_3 -164.3(4) . . . . ?
P20_3 C11_3 C12_3 O13_3 0.1(6)    . . . . ?
C8_3  C7_3  C12_3 C11_3 -8.8(7)   . . . . ?
C5_3  C7_3  C12_3 C11_3 171.1(4)  . . . . ?
C8_3  C7_3  C12_3 O13_3 167.6(4)  . . . . ?
C5_3  C7_3  C12_3 O13_3 -12.5(6)  . . . . ?
C11_3 C12_3 O13_3 C14_3 45.0(6)   . . . . ?
C7_3  C12_3 O13_3 C14_3 -131.5(4) . . . . ?
C12_3 O13_3 C14_3 C15_3 133.7(5)  . . . . ?
C12_3 O13_3 C14_3 C19_3 -47.1(6)  . . . . ?
O13_3 C14_3 C15_3 C16_3 -176.7(4) . . . . ?
C19_3 C14_3 C15_3 C16_3 4.0(7)    . . . . ?
C14_3 C15_3 C16_3 C17_3 1.3(7)    . . . . ?
C15_3 C16_3 C17_3 C18_3 0.2(7)    . . . . ?
C15_3 C16_3 C17_3 C36_3 -179.0(5) . . . . ?
C16_3 C17_3 C18_3 C19_3 -7.3(7)   . . . . ?
C36_3 C17_3 C18_3 C19_3 172.0(4)  . . . . ?
C16_3 C17_3 C18_3 O28_3 170.3(4)  . . . . ?
C36_3 C17_3 C18_3 O28_3 -10.4(7)  . . . . ?
O28_3 C18_3 C19_3 C14_3 -165.0(4) . . . . ?
C17_3 C18_3 C19_3 C14_3 12.6(7)   . . . . ?
O28_3 C18_3 C19_3 P20_3 0.8(6)    . . . . ?
C17_3 C18_3 C19_3 P20_3 178.4(4)  . . . . ?
O13_3 C14_3 C19_3 C18_3 169.7(4)  . . . . ?
C15_3 C14_3 C19_3 C18_3 -11.0(7)  . . . . ?
O13_3 C14_3 C19_3 P20_3 3.7(6)    . . . . ?
C15_3 C14_3 C19_3 P20_3 -177.0(4) . . . . ?
C18_3 C19_3 P20_3 O29_3 95.6(4)   . . . . ?
C14_3 C19_3 P20_3 O29_3 -98.5(4)  . . . . ?
C18_3 C19_3 P20_3 C11_3 -134.2(4) . . . . ?
C14_3 C19_3 P20_3 C11_3 31.7(4)   . . . . ?
C18_3 C19_3 P20_3 C21_3 -33.7(4)  . . . . ?
C14_3 C19_3 P20_3 C21_3 132.2(4)  . . . . ?
C12_3 C11_3 P20_3 O29_3 96.4(4)   . . . . ?
C10_3 C11_3 P20_3 O29_3 -99.3(4)  . . . . ?
C12_3 C11_3 P20_3 C19_3 -33.9(4)  . . . . ?
C10_3 C11_3 P20_3 C19_3 130.4(4)  . . . . ?
C12_3 C11_3 P20_3 C21_3 -132.5(4) . . . . ?
C10_3 C11_3 P20_3 C21_3 31.7(4)   . . . . ?
O29_3 P20_3 C21_3 C22_3 -96.7(5)  . . . . ?
C19_3 P20_3 C21_3 C22_3 32.4(5)   . . . . ?
C11_3 P20_3 C21_3 C22_3 132.5(4)  . . . . ?
O29_3 P20_3 C21_3 C26_3 95.9(4)   . . . . ?
C19_3 P20_3 C21_3 C26_3 -135.0(4) . . . . ?
C11_3 P20_3 C21_3 C26_3 -34.9(4)  . . . . ?
C26_3 C21_3 C22_3 C23_3 -6.9(8)   . . . . ?
P20_3 C21_3 C22_3 C23_3 -173.9(4) . . . . ?
C26_3 C21_3 C22_3 O28_3 168.8(5)  . . . . ?
P20_3 C21_3 C22_3 O28_3 1.8(7)    . . . . ?
C21_3 C22_3 C23_3 C24_3 1.5(8)    . . . . ?
O28_3 C22_3 C23_3 C24_3 -174.3(5) . . . . ?
C22_3 C23_3 C24_3 C25_3 0.8(9)    . . . . ?
C23_3 C24_3 C25_3 C26_3 2.4(8)    . . . . ?
C23_3 C24_3 C25_3 C30_3 -178.9(5) . . . . ?
C22_3 C21_3 C26_3 O27_3 -164.3(5) . . . . ?
P20_3 C21_3 C26_3 O27_3 3.1(7)    . . . . ?
C22_3 C21_3 C26_3 C25_3 9.9(8)    . . . . ?
P20_3 C21_3 C26_3 C25_3 177.3(4)  . . . . ?
C24_3 C25_3 C26_3 O27_3 166.8(5)  . . . . ?
C30_3 C25_3 C26_3 O27_3 -12.0(7)  . . . . ?
C24_3 C25_3 C26_3 C21_3 -7.5(7)   . . . . ?
C30_3 C25_3 C26_3 C21_3 173.7(5)  . . . . ?
C21_3 C26_3 O27_3 C10_3 41.5(7)   . . . . ?
C25_3 C26_3 O27_3 C10_3 -132.6(5) . . . . ?
C11_3 C10_3 O27_3 C26_3 -45.5(7)  . . . . ?
C9_3  C10_3 O27_3 C26_3 130.6(5)  . . . . ?
C19_3 C18_3 O28_3 C22_3 42.9(6)   . . . . ?
C17_3 C18_3 O28_3 C22_3 -134.7(5) . . . . ?
C21_3 C22_3 O28_3 C18_3 -44.4(7)  . . . . ?
C23_3 C22_3 O28_3 C18_3 131.4(5)  . . . . ?
C24_3 C25_3 C30_3 C31_3 -44.4(9)  . . . . ?
C26_3 C25_3 C30_3 C31_3 134.3(6)  . . . . ?
C24_3 C25_3 C30_3 C35_3 133.1(6)  . . . . ?
C26_3 C25_3 C30_3 C35_3 -48.2(7)  . . . . ?
C35_3 C30_3 C31_3 C32_3 -1.9(10)  . . . . ?
C25_3 C30_3 C31_3 C32_3 175.7(7)  . . . . ?
C30_3 C31_3 C32_3 C33_3 5.3(13)   . . . . ?
C31_3 C32_3 C33_3 N34_3 -7.2(12)  . . . . ?
C32_3 C33_3 N34_3 C35_3 5.7(9)    . . . . ?
C32_3 C33_3 N34_3 Pd4_1 -175.6(6) . . . . ?
C33_3 N34_3 C35_3 C30_3 -2.5(8)   . . . . ?
Pd4_1 N34_3 C35_3 C30_3 178.8(4)  . . . . ?
C31_3 C30_3 C35_3 N34_3 0.5(8)    . . . . ?
C25_3 C30_3 C35_3 N34_3 -177.2(5) . . . . ?
C16_3 C17_3 C36_3 C37_3 -46.3(8)  . . . . ?
C18_3 C17_3 C36_3 C37_3 134.4(6)  . . . . ?
C16_3 C17_3 C36_3 C41_3 131.1(5)  . . . . ?
C18_3 C17_3 C36_3 C41_3 -48.2(7)  . . . . ?
C41_3 C36_3 C37_3 C38_3 0.7(9)    . . . . ?
C17_3 C36_3 C37_3 C38_3 178.2(6)  . . . . ?
C36_3 C37_3 C38_3 C39_3 -1.6(11)  . . . . ?
C37_3 C38_3 C39_3 N40_3 2.2(11)   . . . . ?
C38_3 C39_3 N40_3 C41_3 -1.9(9)   . . . . ?
C38_3 C39_3 N40_3 Pd1_1 179.3(5)  . . . . ?
C39_3 N40_3 C41_3 C36_3 1.0(8)    . . . . ?
Pd1_1 N40_3 C41_3 C36_3 179.8(4)  . . . . ?
C37_3 C36_3 C41_3 N40_3 -0.4(8)   . . . . ?
C17_3 C36_3 C41_3 N40_3 -177.9(5) . . . . ?
C6_4  N1_4  C2_4  C3_4  0.6(9)    . . . . ?
Pd2_1 N1_4  C2_4  C3_4  -177.2(6) . . . . ?
N1_4  C2_4  C3_4  C4_4  -2.1(11)  . . . . ?
C2_4  C3_4  C4_4  C5_4  2.3(11)   . . . . ?
C3_4  C4_4  C5_4  C6_4  -1.1(9)   . . . . ?
C3_4  C4_4  C5_4  C7_4  176.6(6)  . . . . ?
C2_4  N1_4  C6_4  C5_4  0.6(8)    . . . . ?
Pd2_1 N1_4  C6_4  C5_4  178.5(4)  . . . . ?
C4_4  C5_4  C6_4  N1_4  -0.3(8)   . . . . ?
C7_4  C5_4  C6_4  N1_4  -178.1(5) . . . . ?
C4_4  C5_4  C7_4  C8_4  -46.2(8)  . . . . ?
C6_4  C5_4  C7_4  C8_4  131.5(6)  . . . . ?
C4_4  C5_4  C7_4  C12_4 137.0(6)  . . . . ?
C6_4  C5_4  C7_4  C12_4 -45.3(8)  . . . . ?
C12_4 C7_4  C8_4  C9_4  0.3(9)    . . . . ?
C5_4  C7_4  C8_4  C9_4  -176.6(5) . . . . ?
C7_4  C8_4  C9_4  C10_4 1.5(9)    . . . . ?
C8_4  C9_4  C10_4 O27_4 -176.9(5) . . . . ?
C8_4  C9_4  C10_4 C11_4 2.7(9)    . . . . ?
C9_4  C10_4 C11_4 C12_4 -8.3(8)   . . . . ?
O27_4 C10_4 C11_4 C12_4 171.3(5)  . . . . ?
C9_4  C10_4 C11_4 P20_4 -176.3(5) . . . . ?
O27_4 C10_4 C11_4 P20_4 3.3(7)    . . . . ?
C8_4  C7_4  C12_4 O13_4 167.6(5)  . . . . ?
C5_4  C7_4  C12_4 O13_4 -15.4(8)  . . . . ?
C8_4  C7_4  C12_4 C11_4 -6.0(8)   . . . . ?
C5_4  C7_4  C12_4 C11_4 170.9(5)  . . . . ?
C10_4 C11_4 C12_4 O13_4 -163.6(5) . . . . ?
P20_4 C11_4 C12_4 O13_4 4.7(7)    . . . . ?
C10_4 C11_4 C12_4 C7_4  10.0(8)   . . . . ?
P20_4 C11_4 C12_4 C7_4  178.3(4)  . . . . ?
C7_4  C12_4 O13_4 C14_4 -131.5(6) . . . . ?
C11_4 C12_4 O13_4 C14_4 42.1(7)   . . . . ?
C12_4 O13_4 C14_4 C15_4 130.3(6)  . . . . ?
C12_4 O13_4 C14_4 C19_4 -46.5(7)  . . . . ?
O13_4 C14_4 C15_4 C16_4 -178.8(5) . . . . ?
C19_4 C14_4 C15_4 C16_4 -2.0(8)   . . . . ?
C14_4 C15_4 C16_4 C17_4 5.6(9)    . . . . ?
C15_4 C16_4 C17_4 C18_4 -1.3(9)   . . . . ?
C15_4 C16_4 C17_4 C36_4 -178.9(5) . . . . ?
C16_4 C17_4 C18_4 C19_4 -6.7(9)   . . . . ?
C36_4 C17_4 C18_4 C19_4 170.9(5)  . . . . ?
C16_4 C17_4 C18_4 O28_4 169.0(5)  . . . . ?
C36_4 C17_4 C18_4 O28_4 -13.4(8)  . . . . ?
C17_4 C18_4 C19_4 C14_4 10.4(8)   . . . . ?
O28_4 C18_4 C19_4 C14_4 -165.2(5) . . . . ?
C17_4 C18_4 C19_4 P20_4 177.8(4)  . . . . ?
O28_4 C18_4 C19_4 P20_4 2.2(7)    . . . . ?
C15_4 C14_4 C19_4 C18_4 -5.8(8)   . . . . ?
O13_4 C14_4 C19_4 C18_4 171.0(5)  . . . . ?
C15_4 C14_4 C19_4 P20_4 -173.4(4) . . . . ?
O13_4 C14_4 C19_4 P20_4 3.4(7)    . . . . ?
C10_4 C11_4 P20_4 O29_4 -97.7(5)  . . . . ?
C12_4 C11_4 P20_4 O29_4 94.4(5)   . . . . ?
C10_4 C11_4 P20_4 C19_4 130.9(5)  . . . . ?
C12_4 C11_4 P20_4 C19_4 -37.0(5)  . . . . ?
C10_4 C11_4 P20_4 C21_4 32.1(5)   . . . . ?
C12_4 C11_4 P20_4 C21_4 -135.9(5) . . . . ?
C18_4 C19_4 P20_4 O29_4 94.7(5)   . . . . ?
C14_4 C19_4 P20_4 O29_4 -97.8(5)  . . . . ?
C18_4 C19_4 P20_4 C11_4 -134.1(5) . . . . ?
C14_4 C19_4 P20_4 C11_4 33.3(5)   . . . . ?
C18_4 C19_4 P20_4 C21_4 -35.3(5)  . . . . ?
C14_4 C19_4 P20_4 C21_4 132.1(5)  . . . . ?
O29_4 P20_4 C21_4 C22_4 -98.6(5)  . . . . ?
C11_4 P20_4 C21_4 C22_4 131.5(5)  . . . . ?
C19_4 P20_4 C21_4 C22_4 31.8(5)   . . . . ?
O29_4 P20_4 C21_4 C26_4 96.5(5)   . . . . ?
C11_4 P20_4 C21_4 C26_4 -33.4(5)  . . . . ?
C19_4 P20_4 C21_4 C26_4 -133.1(5) . . . . ?
C26_4 C21_4 C22_4 C23_4 -11.2(9)  . . . . ?
P20_4 C21_4 C22_4 C23_4 -175.9(5) . . . . ?
C26_4 C21_4 C22_4 O28_4 169.1(5)  . . . . ?
P20_4 C21_4 C22_4 O28_4 4.3(8)    . . . . ?
C21_4 C22_4 C23_4 C24_4 3.0(10)   . . . . ?
O28_4 C22_4 C23_4 C24_4 -177.2(6) . . . . ?
C22_4 C23_4 C24_4 C25_4 1.1(10)   . . . . ?
C23_4 C24_4 C25_4 C26_4 2.7(9)    . . . . ?
C23_4 C24_4 C25_4 C30_4 -176.7(6) . . . . ?
C22_4 C21_4 C26_4 O27_4 -164.9(5) . . . . ?
P20_4 C21_4 C26_4 O27_4 0.1(8)    . . . . ?
C22_4 C21_4 C26_4 C25_4 15.1(9)   . . . . ?
P20_4 C21_4 C26_4 C25_4 -179.9(4) . . . . ?
C24_4 C25_4 C26_4 O27_4 169.3(5)  . . . . ?
C30_4 C25_4 C26_4 O27_4 -11.3(9)  . . . . ?
C24_4 C25_4 C26_4 C21_4 -10.7(8)  . . . . ?
C30_4 C25_4 C26_4 C21_4 168.7(6)  . . . . ?
C21_4 C26_4 O27_4 C10_4 45.8(8)   . . . . ?
C25_4 C26_4 O27_4 C10_4 -134.2(5) . . . . ?
C9_4  C10_4 O27_4 C26_4 132.1(6)  . . . . ?
C11_4 C10_4 O27_4 C26_4 -47.5(7)  . . . . ?
C17_4 C18_4 O28_4 C22_4 -132.3(5) . . . . ?
C19_4 C18_4 O28_4 C22_4 43.4(7)   . . . . ?
C23_4 C22_4 O28_4 C18_4 133.3(6)  . . . . ?
C21_4 C22_4 O28_4 C18_4 -47.0(7)  . . . . ?
C26_4 C25_4 C30_4 C35_4 -43.6(8)  . . . . ?
C24_4 C25_4 C30_4 C35_4 135.8(6)  . . . . ?
C26_4 C25_4 C30_4 C31_4 140.1(7)  . . . . ?
C24_4 C25_4 C30_4 C31_4 -40.6(9)  . . . . ?
C35_4 C30_4 C31_4 C32_4 -0.1(11)  . . . . ?
C25_4 C30_4 C31_4 C32_4 176.4(7)  . . . . ?
C30_4 C31_4 C32_4 C33_4 1.6(13)   . . . . ?
C31_4 C32_4 C33_4 N34_4 -2.5(13)  . . . . ?
C32_4 C33_4 N34_4 C35_4 1.9(10)   . . . . ?
C32_4 C33_4 N34_4 Pd1_1 -175.3(6) . . . . ?
C33_4 N34_4 C35_4 C30_4 -0.5(8)   . . . . ?
Pd1_1 N34_4 C35_4 C30_4 176.6(4)  . . . . ?
C31_4 C30_4 C35_4 N34_4 -0.5(9)   . . . . ?
C25_4 C30_4 C35_4 N34_4 -177.1(5) . . . . ?
C18_4 C17_4 C36_4 C37_4 134.7(7)  . . . . ?
C16_4 C17_4 C36_4 C37_4 -47.8(8)  . . . . ?
C18_4 C17_4 C36_4 C41_4 -43.9(8)  . . . . ?
C16_4 C17_4 C36_4 C41_4 133.6(6)  . . . . ?
C41_4 C36_4 C37_4 C38_4 0.2(10)   . . . . ?
C17_4 C36_4 C37_4 C38_4 -178.4(7) . . . . ?
C36_4 C37_4 C38_4 C39_4 0.2(13)   . . . . ?
C37_4 C38_4 C39_4 N40_4 -2.9(14)  . . . . ?
C38_4 C39_4 N40_4 C41_4 5.2(11)   . . . . ?
C38_4 C39_4 N40_4 Pd3_1 -177.7(7) . . . . ?
C39_4 N40_4 C41_4 C36_4 -4.8(8)   . . . . ?
Pd3_1 N40_4 C41_4 C36_4 178.0(4)  . . . . ?
C37_4 C36_4 C41_4 N40_4 2.2(8)    . . . . ?
C17_4 C36_4 C41_4 N40_4 -179.2(5) . . . . ?
C6_5  N1_5  C2_5  C3_5  1.6(8)    . . . . ?
Pd2_1 N1_5  C2_5  C3_5  -177.1(5) . . . . ?
N1_5  C2_5  C3_5  C4_5  -1.1(10)  . . . . ?
C2_5  C3_5  C4_5  C5_5  0.6(9)    . . . . ?
C3_5  C4_5  C5_5  C6_5  -0.6(8)   . . . . ?
C3_5  C4_5  C5_5  C7_5  178.3(5)  . . . . ?
C2_5  N1_5  C6_5  C5_5  -1.6(8)   . . . . ?
Pd2_1 N1_5  C6_5  C5_5  177.1(4)  . . . . ?
C4_5  C5_5  C6_5  N1_5  1.1(7)    . . . . ?
C7_5  C5_5  C6_5  N1_5  -177.8(4) . . . . ?
C6_5  C5_5  C7_5  C12_5 -43.7(7)  . . . . ?
C4_5  C5_5  C7_5  C12_5 137.5(5)  . . . . ?
C6_5  C5_5  C7_5  C8_5  135.0(5)  . . . . ?
C4_5  C5_5  C7_5  C8_5  -43.9(7)  . . . . ?
C12_5 C7_5  C8_5  C9_5  -0.2(7)   . . . . ?
C5_5  C7_5  C8_5  C9_5  -178.9(5) . . . . ?
C7_5  C8_5  C9_5  C10_5 2.7(8)    . . . . ?
C8_5  C9_5  C10_5 O27_5 -175.6(5) . . . . ?
C8_5  C9_5  C10_5 C11_5 1.5(8)    . . . . ?
C9_5  C10_5 C11_5 C12_5 -8.1(7)   . . . . ?
O27_5 C10_5 C11_5 C12_5 169.0(4)  . . . . ?
C9_5  C10_5 C11_5 P20_5 -173.8(4) . . . . ?
O27_5 C10_5 C11_5 P20_5 3.3(6)    . . . . ?
C10_5 C11_5 C12_5 O13_5 -164.6(4) . . . . ?
P20_5 C11_5 C12_5 O13_5 0.9(6)    . . . . ?
C10_5 C11_5 C12_5 C7_5  10.8(7)   . . . . ?
P20_5 C11_5 C12_5 C7_5  176.3(4)  . . . . ?
C8_5  C7_5  C12_5 O13_5 168.8(4)  . . . . ?
C5_5  C7_5  C12_5 O13_5 -12.5(7)  . . . . ?
C8_5  C7_5  C12_5 C11_5 -6.6(7)   . . . . ?
C5_5  C7_5  C12_5 C11_5 172.1(4)  . . . . ?
C11_5 C12_5 O13_5 C14_5 44.3(6)   . . . . ?
C7_5  C12_5 O13_5 C14_5 -131.2(4) . . . . ?
C12_5 O13_5 C14_5 C15_5 132.9(5)  . . . . ?
C12_5 O13_5 C14_5 C19_5 -46.5(6)  . . . . ?
O13_5 C14_5 C15_5 C16_5 -175.8(4) . . . . ?
C19_5 C14_5 C15_5 C16_5 3.6(7)    . . . . ?
C14_5 C15_5 C16_5 C17_5 0.3(7)    . . . . ?
C15_5 C16_5 C17_5 C18_5 1.3(7)    . . . . ?
C15_5 C16_5 C17_5 C36_5 -179.1(4) . . . . ?
C16_5 C17_5 C18_5 C19_5 -6.9(7)   . . . . ?
C36_5 C17_5 C18_5 C19_5 173.5(4)  . . . . ?
C16_5 C17_5 C18_5 O28_5 168.8(4)  . . . . ?
C36_5 C17_5 C18_5 O28_5 -10.8(7)  . . . . ?
C17_5 C18_5 C19_5 C14_5 10.9(7)   . . . . ?
O28_5 C18_5 C19_5 C14_5 -164.8(4) . . . . ?
C17_5 C18_5 C19_5 P20_5 178.1(4)  . . . . ?
O28_5 C18_5 C19_5 P20_5 2.4(6)    . . . . ?
C15_5 C14_5 C19_5 C18_5 -9.1(7)   . . . . ?
O13_5 C14_5 C19_5 C18_5 170.3(4)  . . . . ?
C15_5 C14_5 C19_5 P20_5 -176.5(4) . . . . ?
O13_5 C14_5 C19_5 P20_5 2.9(6)    . . . . ?
C12_5 C11_5 P20_5 O29_5 95.8(4)   . . . . ?
C10_5 C11_5 P20_5 O29_5 -98.7(4)  . . . . ?
C12_5 C11_5 P20_5 C19_5 -34.4(4)  . . . . ?
C10_5 C11_5 P20_5 C19_5 131.1(4)  . . . . ?
C12_5 C11_5 P20_5 C21_5 -133.4(4) . . . . ?
C10_5 C11_5 P20_5 C21_5 32.1(4)   . . . . ?
C18_5 C19_5 P20_5 O29_5 94.6(4)   . . . . ?
C14_5 C19_5 P20_5 O29_5 -98.1(4)  . . . . ?
C18_5 C19_5 P20_5 C11_5 -135.2(4) . . . . ?
C14_5 C19_5 P20_5 C11_5 32.1(4)   . . . . ?
C18_5 C19_5 P20_5 C21_5 -34.8(4)  . . . . ?
C14_5 C19_5 P20_5 C21_5 132.5(4)  . . . . ?
O29_5 P20_5 C21_5 C22_5 -97.4(4)  . . . . ?
C11_5 P20_5 C21_5 C22_5 131.6(4)  . . . . ?
C19_5 P20_5 C21_5 C22_5 32.1(5)   . . . . ?
O29_5 P20_5 C21_5 C26_5 95.9(4)   . . . . ?
C11_5 P20_5 C21_5 C26_5 -35.1(4)  . . . . ?
C19_5 P20_5 C21_5 C26_5 -134.6(4) . . . . ?
C26_5 C21_5 C22_5 O28_5 169.7(5)  . . . . ?
P20_5 C21_5 C22_5 O28_5 3.2(7)    . . . . ?
C26_5 C21_5 C22_5 C23_5 -7.4(8)   . . . . ?
P20_5 C21_5 C22_5 C23_5 -173.9(4) . . . . ?
C21_5 C22_5 C23_5 C24_5 1.4(8)    . . . . ?
O28_5 C22_5 C23_5 C24_5 -175.8(5) . . . . ?
C22_5 C23_5 C24_5 C25_5 1.9(9)    . . . . ?
C23_5 C24_5 C25_5 C26_5 0.9(9)    . . . . ?
C23_5 C24_5 C25_5 C30_5 -179.1(5) . . . . ?
C24_5 C25_5 C26_5 O27_5 167.2(5)  . . . . ?
C30_5 C25_5 C26_5 O27_5 -12.8(7)  . . . . ?
C24_5 C25_5 C26_5 C21_5 -6.9(7)   . . . . ?
C30_5 C25_5 C26_5 C21_5 173.1(5)  . . . . ?
C22_5 C21_5 C26_5 O27_5 -163.8(5) . . . . ?
P20_5 C21_5 C26_5 O27_5 2.9(7)    . . . . ?
C22_5 C21_5 C26_5 C25_5 10.3(8)   . . . . ?
P20_5 C21_5 C26_5 C25_5 176.9(4)  . . . . ?
C25_5 C26_5 O27_5 C10_5 -131.8(5) . . . . ?
C21_5 C26_5 O27_5 C10_5 42.2(7)   . . . . ?
C9_5  C10_5 O27_5 C26_5 131.4(5)  . . . . ?
C11_5 C10_5 O27_5 C26_5 -45.7(7)  . . . . ?
C19_5 C18_5 O28_5 C22_5 41.8(6)   . . . . ?
C17_5 C18_5 O28_5 C22_5 -134.0(5) . . . . ?
C21_5 C22_5 O28_5 C18_5 -45.5(6)  . . . . ?
C23_5 C22_5 O28_5 C18_5 131.8(5)  . . . . ?
C24_5 C25_5 C30_5 C35_5 132.0(6)  . . . . ?
C26_5 C25_5 C30_5 C35_5 -48.0(8)  . . . . ?
C24_5 C25_5 C30_5 C31_5 -44.1(9)  . . . . ?
C26_5 C25_5 C30_5 C31_5 135.9(6)  . . . . ?
C35_5 C30_5 C31_5 C32_5 -0.2(10)  . . . . ?
C25_5 C30_5 C31_5 C32_5 176.0(7)  . . . . ?
C30_5 C31_5 C32_5 C33_5 2.6(13)   . . . . ?
C31_5 C32_5 C33_5 N34_5 -4.4(13)  . . . . ?
C32_5 C33_5 N34_5 C35_5 3.8(10)   . . . . ?
C32_5 C33_5 N34_5 Pd3_1 -176.7(6) . . . . ?
C33_5 N34_5 C35_5 C30_5 -1.4(8)   . . . . ?
Pd3_1 N34_5 C35_5 C30_5 179.1(4)  . . . . ?
C31_5 C30_5 C35_5 N34_5 -0.4(9)   . . . . ?
C25_5 C30_5 C35_5 N34_5 -176.8(5) . . . . ?
C16_5 C17_5 C36_5 C37_5 -44.4(8)  . . . . ?
C18_5 C17_5 C36_5 C37_5 135.2(6)  . . . . ?
C16_5 C17_5 C36_5 C41_5 132.6(5)  . . . . ?
C18_5 C17_5 C36_5 C41_5 -47.8(7)  . . . . ?
C41_5 C36_5 C37_5 C38_5 1.1(9)    . . . . ?
C17_5 C36_5 C37_5 C38_5 178.2(6)  . . . . ?
C36_5 C37_5 C38_5 C39_5 -0.8(11)  . . . . ?
C37_5 C38_5 C39_5 N40_5 -0.4(11)  . . . . ?
C38_5 C39_5 N40_5 C41_5 1.4(9)    . . . . ?
C38_5 C39_5 N40_5 Pd1_1 -179.0(5) . . . 4 ?
C39_5 N40_5 C41_5 C36_5 -1.1(8)   . . . . ?
Pd1_1 N40_5 C41_5 C36_5 179.3(4)  4 . . . ?
C37_5 C36_5 C41_5 N40_5 -0.2(8)   . . . . ?
C17_5 C36_5 C41_5 N40_5 -177.3(5) . . . . ?

_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details           ''

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1  0.000 -0.004 -0.002 14110 4229 ' '
2  0.502 0.000  0.067  18    8    ' '
3  0.499 0.000  0.333  22    1    ' '
4  0.502 0.000  0.600  20    8    ' '
5  0.501 0.501  0.000  21    2    ' '
6  0.498 0.498  0.266  19    8    ' '
7  1.000 0.499  0.667  22    2    ' '
8  0.498 0.498  0.734  19    8    ' '
9  1.000 0.502  0.933  19    7    ' '
10 1.000 0.502  0.400  19    8    ' '

