data_exp_2635_sq
_audit_creation_date               2022-11-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2016/6'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C128 H106 N12 Pd4'
_chemical_formula_sum              'C128 H106 N12 Pd4'
_chemical_formula_weight           2237.84
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C100 H100 N12 Pd2'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 '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'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pd' 'Pd' 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     15.9679(12)
_cell_length_b                     20.0928(15)
_cell_length_c                     24.0357(17)
_cell_angle_alpha                  71.862(7)
_cell_angle_beta                   71.330(7)
_cell_angle_gamma                  86.857(6)
_cell_volume                       6934.2(10)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      5774
_cell_measurement_temperature      99.9(4)
_cell_measurement_theta_max        71.7570
_cell_measurement_theta_min        2.9100
_shelx_estimated_absorpt_T_max     0.808
_shelx_estimated_absorpt_T_min     0.348
_exptl_absorpt_coefficient_mu      4.455
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.25443
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              green
_exptl_crystal_colour_primary      green
_exptl_crystal_density_diffrn      1.072
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               2284
_exptl_crystal_size_max            0.3
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.05
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1167
_diffrn_reflns_av_unetI/netI       0.1782
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         19
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         23
_diffrn_reflns_limit_k_min         -23
_diffrn_reflns_limit_l_max         28
_diffrn_reflns_limit_l_min         -28
_diffrn_reflns_number              47399
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  1.000
_diffrn_reflns_theta_full          66.600
_diffrn_reflns_theta_max           66.600
_diffrn_reflns_theta_min           2.041
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        99.9(4)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8.0697
_diffrn_detector_type              EosS2
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -46.00 -19.00   1.00    2.00    --  -34.48  77.00-120.00   27
  2  ω     22.00 104.00   1.00    2.00    --   34.48  38.00-120.00   82
  3  ω     33.00 100.00   1.00    2.00    --   34.48  57.00   0.00   67
  4  ω     38.00  97.00   1.00    2.00    --   34.48  57.00  90.00   59
  5  ω     42.00  99.00   1.00    2.00    --   34.48  57.00 150.00   57
  6  ω     45.00 122.00   1.00    8.00    --  105.88 -45.00 150.00   77
  7  ω     89.00 123.00   1.00    8.00    --  105.88 -45.00  30.00   34
  8  ω     88.00 156.00   1.00    8.00    --  105.88  45.00 -60.00   68
  9  ω    104.00 176.00   1.00    8.00    --  105.88 111.00-120.00   72
 10  ω    126.00 170.00   1.00    8.00    --  105.88  45.00-180.00   44
 11  ω    106.00 176.00   1.00    8.00    --  105.88  15.00-120.00   70
 12  ω    101.00 171.00   1.00    8.00    --  105.88  61.00 -30.00   70
 13  ω     90.00 117.00   1.00    8.00    --  105.88  45.00-180.00   27
 14  ω     39.00 123.00   1.00    8.00    --  105.88 -45.00 -90.00   84
 15  ω     63.00 115.00   1.00    8.00    --  105.88-111.00-150.00   52
 16  ω     60.00 123.00   1.00    8.00    --  105.88 -77.00-150.00   63
 17  ω     49.00  96.00   1.00    8.00    --  105.88 -94.00 -60.00   47
 18  ω     36.00 115.00   1.00    8.00    --  105.88-111.00  30.00   79
 19  ω     58.00 109.00   1.00    8.00    --  105.88 -94.00  90.00   51
 20  ω     39.00  70.00   1.00    8.00    --  105.88 -45.00  30.00   31
 21  ω     35.00  88.00   1.00    2.00    --   34.48-125.00 150.00   53
 22  ω      1.00  30.00   1.00    2.00    --   34.48 -99.00 120.00   29
 23  ω     17.00  84.00   1.00    2.00    --   34.48  38.00 -30.00   67
 24  ω      8.00  86.00   1.00    2.00    --   34.48  77.00  30.00   78
 25  ω     67.00 127.00   1.00    8.00    --  105.88 178.00 150.00   60
 26  ω     29.00  56.00   1.00    2.00    --   34.48 -99.00-120.00   27
 27  ω     39.00  73.00   1.00    2.00    --   34.48 -99.00 -90.00   34
 28  ω     41.00  68.00   1.00    8.00    --  105.88 -94.00-180.00   27
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0629254000
_diffrn_orient_matrix_UB_12        -0.0138284000
_diffrn_orient_matrix_UB_13        -0.0585241000
_diffrn_orient_matrix_UB_21        0.0666151000
_diffrn_orient_matrix_UB_22        0.0567066000
_diffrn_orient_matrix_UB_23        -0.0063630000
_diffrn_orient_matrix_UB_31        0.0447158000
_diffrn_orient_matrix_UB_32        -0.0558468000
_diffrn_orient_matrix_UB_33        0.0400020000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  13613
_reflns_number_total               24470
_reflns_odcompleteness_completeness  99.97
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.49
_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.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max           1.459
_refine_diff_density_min           -1.054
_refine_diff_density_rms           0.136
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     0.960
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1321
_refine_ls_number_reflns           24470
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1358
_refine_ls_R_factor_gt             0.0861
_refine_ls_restrained_S_all        0.960
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0894P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2075
_refine_ls_wR_factor_ref           0.2438
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C8(H8), C12(H12), C16(H16), C17(H17), C21(H21), C22(H22),
 C26(H26), C31(H31), C35(H35), C36(H36), C40(H40), C44(H44), C45(H45), C49(H49),
  C50(H50), C54(H54), C59(H59), C61(H61), C67(H67), C69(H69), C76(H76),
 C78(H78), C84(H84), C86(H86), C96(H96), C98(H98), C103(H103), C105(H105),
 C111(H111), C113(H113), C120(H120), C122(H122)
2.b Idealised Me refined as rotating group:
 C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C71(H71A,H71B,
 H71C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C79(H79A,H79B,H79C), C80(H80A,
 H80B,H80C), C81(H81A,H81B,H81C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C),
 C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C95(H95A,H95B,H95C), C99(H99A,H99B,
 H99C), C106(H10A,H10B,H10C), C107(H10D,H10E,H10F), C108(H10G,H10H,H10I),
 C115(H11A,H11B,H11C), C116(H11D,H11E,H11F), C117(H11G,H11H,H11I), C124(H12A,
 H12B,H12C), C125(H12D,H12E,H12F), C126(H12G,H12H,H12I)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
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 Pd 1.03290(5) 0.32388(4) 0.27996(3) 0.04255(18) Uani 1 1 d . . . . .
 N1 N 0.3519(5) 0.3440(4) 0.4071(3) 0.0361(16) Uani 1 1 d . . . . .
 C1 C 0.5963(6) 0.2827(5) 0.4253(4) 0.038(2) Uani 1 1 d . . . . .
 Pd2 Pd 1.10955(5) 0.52275(4) 0.21060(3) 0.04533(19) Uani 1 1 d . . . . .
 N2 N 0.2879(5) 0.2561(4) 0.5344(4) 0.0374(17) Uani 1 1 d . . . . .
 C2 C 0.6738(6) 0.3080(5) 0.3734(5) 0.040(2) Uani 1 1 d . . . . .
 Pd3 Pd 0.40647(4) 0.28452(3) 0.47118(3) 0.03515(16) Uani 1 1 d . . . . .
 N3 N 0.5245(5) 0.3118(4) 0.4111(4) 0.0390(17) Uani 1 1 d . . . . .
 C3 C 0.6456(6) 0.3541(5) 0.3292(5) 0.041(2) Uani 1 1 d . . . . .
 H3 H 0.682570 0.380702 0.289457 0.050 Uiso 1 1 calc R . . . .
 Pd4 Pd 0.34423(4) 0.16288(4) 0.64282(3) 0.03674(16) Uani 1 1 d . . . . .
 N4 N 0.4625(5) 0.1902(4) 0.5788(4) 0.0382(17) Uani 1 1 d . . . . .
 C4 C 0.5491(6) 0.3563(5) 0.3525(5) 0.042(2) Uani 1 1 d . . . . .
 N5 N 0.3988(6) 0.1079(4) 0.7085(4) 0.0446(19) Uani 1 1 d . . . . .
 C5 C 0.4909(6) 0.3904(5) 0.3232(4) 0.039(2) Uani 1 1 d . . . . .
 N6 N 0.2266(5) 0.1379(4) 0.7021(4) 0.0451(19) Uani 1 1 d . . . . .
 C6 C 0.3992(6) 0.3860(5) 0.3486(4) 0.038(2) Uani 1 1 d . . . . .
 N7 N 0.9120(5) 0.2823(4) 0.3243(4) 0.0437(19) Uani 1 1 d . . . . .
 C7 C 0.3366(6) 0.4185(5) 0.3186(4) 0.044(2) Uani 1 1 d . . . . .
 H7 H 0.350188 0.450185 0.277835 0.053 Uiso 1 1 calc R . . . .
 N8 N 1.0814(5) 0.2266(5) 0.2921(4) 0.048(2) Uani 1 1 d . . . . .
 C8 C 0.2540(6) 0.3959(5) 0.3589(5) 0.043(2) Uani 1 1 d . . . . .
 H8 H 0.199784 0.408549 0.350994 0.051 Uiso 1 1 calc R . . . .
 N9 N 1.1551(5) 0.3674(5) 0.2374(4) 0.053(2) Uani 1 1 d . . . . .
 C9 C 0.2634(6) 0.3496(4) 0.4152(4) 0.0347(19) Uani 1 1 d . . . . .
 N10 N 0.9869(5) 0.4775(4) 0.2514(4) 0.0425(18) Uani 1 1 d . . . . .
 C10 C 0.1966(6) 0.3148(5) 0.4688(4) 0.039(2) Uani 1 1 d . . . . .
 N11 N 1.0627(6) 0.6215(5) 0.1980(4) 0.050(2) Uani 1 1 d . . . . .
 C11 C 0.2052(6) 0.2720(5) 0.5245(4) 0.0340(19) Uani 1 1 d . . . . .
 N12 N 1.2320(6) 0.5654(5) 0.1723(4) 0.059(2) Uani 1 1 d . . . . .
 C12 C 0.1347(6) 0.2396(5) 0.5815(4) 0.040(2) Uani 1 1 d . . . . .
 H12 H 0.072768 0.242104 0.588704 0.048 Uiso 1 1 calc R . . . .
 C13 C 0.1778(6) 0.2040(5) 0.6236(4) 0.037(2) Uani 1 1 d . . . . .
 C14 C 0.2731(6) 0.2145(5) 0.5906(5) 0.044(2) Uani 1 1 d . . . . .
 C15 C 0.1529(6) 0.1612(5) 0.6869(4) 0.042(2) Uani 1 1 d . . . . .
 C16 C 0.0763(7) 0.1366(6) 0.7387(5) 0.052(3) Uani 1 1 d . . . . .
 H16 H 0.016548 0.144079 0.739856 0.062 Uiso 1 1 calc R . . . .
 C17 C 0.1059(7) 0.0995(6) 0.7874(5) 0.052(3) Uani 1 1 d . . . . .
 H17 H 0.069826 0.077913 0.828808 0.063 Uiso 1 1 calc R . . . .
 C18 C 0.1990(7) 0.0996(5) 0.7645(4) 0.043(2) Uani 1 1 d . . . . .
 C19 C 0.2597(7) 0.0721(5) 0.7956(5) 0.045(2) Uani 1 1 d . . . . .
 C20 C 0.3523(7) 0.0754(5) 0.7700(4) 0.042(2) Uani 1 1 d . . . . .
 C21 C 0.4159(7) 0.0506(6) 0.8020(5) 0.051(3) Uani 1 1 d . . . . .
 H21 H 0.403140 0.027123 0.844975 0.061 Uiso 1 1 calc R . . . .
 C22 C 0.4980(7) 0.0672(6) 0.7588(5) 0.054(3) Uani 1 1 d . . . . .
 H22 H 0.552887 0.056356 0.766279 0.065 Uiso 1 1 calc R . . . .
 C23 C 0.4869(6) 0.1032(5) 0.7012(5) 0.042(2) Uani 1 1 d . . . . .
 C24 C 0.5554(7) 0.1313(5) 0.6428(5) 0.041(2) Uani 1 1 d . . . . .
 C25 C 0.5456(6) 0.1698(5) 0.5878(5) 0.040(2) Uani 1 1 d . . . . .
 C26 C 0.6140(6) 0.1980(5) 0.5305(5) 0.040(2) Uani 1 1 d . . . . .
 H26 H 0.675553 0.191466 0.522767 0.049 Uiso 1 1 calc R . . . .
 C27 C 0.5743(6) 0.2366(5) 0.4884(4) 0.038(2) Uani 1 1 d . . . . .
 C28 C 0.4769(6) 0.2294(5) 0.5225(4) 0.0354(19) Uani 1 1 d . . . . .
 C29 C 0.8437(6) 0.3248(5) 0.3281(4) 0.040(2) Uani 1 1 d . . . . .
 C30 C 0.7644(6) 0.2830(5) 0.3643(5) 0.040(2) Uani 1 1 d . . . . .
 C31 C 0.7878(6) 0.2151(5) 0.3797(4) 0.041(2) Uani 1 1 d . . . . .
 H31 H 0.748717 0.175072 0.403442 0.049 Uiso 1 1 calc R . . . .
 C32 C 0.8810(6) 0.2149(5) 0.3540(5) 0.043(2) Uani 1 1 d . . . . .
 C33 C 0.9355(6) 0.1574(5) 0.3534(5) 0.041(2) Uani 1 1 d . . . . .
 C34 C 1.0289(7) 0.1638(5) 0.3223(5) 0.047(2) Uani 1 1 d . . . . .
 C35 C 1.0852(7) 0.1068(6) 0.3203(6) 0.054(3) Uani 1 1 d . . . . .
 H35 H 1.067262 0.058405 0.337263 0.065 Uiso 1 1 calc R . . . .
 C36 C 1.1687(7) 0.1340(6) 0.2899(6) 0.060(3) Uani 1 1 d . . . . .
 H36 H 1.220719 0.108425 0.282009 0.072 Uiso 1 1 calc R . . . .
 C37 C 1.1640(7) 0.2108(7) 0.2713(6) 0.057(3) Uani 1 1 d . . . . .
 C38 C 1.2378(7) 0.2602(6) 0.2402(6) 0.055(3) Uani 1 1 d . . . . .
 C39 C 1.2327(6) 0.3326(6) 0.2253(5) 0.050(3) Uani 1 1 d . . . . .
 C40 C 1.3080(7) 0.3833(6) 0.1932(5) 0.057(3) Uani 1 1 d . . . . .
 H40 H 1.368850 0.374383 0.178300 0.068 Uiso 1 1 calc R . . . .
 C41 C 1.2701(7) 0.4472(7) 0.1896(5) 0.058(3) Uani 1 1 d . . . . .
 C42 C 1.1750(6) 0.4363(6) 0.2155(4) 0.043(2) Uani 1 1 d . . . . .
 C43 C 1.2995(7) 0.5211(7) 0.1663(6) 0.064(3) Uani 1 1 d . . . . .
 C44 C 1.3772(8) 0.5632(7) 0.1382(8) 0.099(6) Uani 1 1 d . . . . .
 H44 H 1.435376 0.546765 0.128474 0.119 Uiso 1 1 calc R . . . .
 C45 C 1.3568(9) 0.6309(8) 0.1272(8) 0.090(5) Uani 1 1 d . . . . .
 H45 H 1.397539 0.670359 0.109412 0.108 Uiso 1 1 calc R . . . .
 C46 C 1.2627(8) 0.6323(7) 0.1472(6) 0.070(4) Uani 1 1 d . . . . .
 C47 C 1.2082(9) 0.6899(7) 0.1427(6) 0.067(3) Uani 1 1 d . . . . .
 C48 C 1.1159(7) 0.6827(6) 0.1674(5) 0.050(2) Uani 1 1 d . . . . .
 C49 C 1.0555(8) 0.7406(6) 0.1676(6) 0.062(3) Uani 1 1 d . . . . .
 H49 H 1.071885 0.789244 0.151289 0.075 Uiso 1 1 calc R . . . .
 C50 C 0.9709(7) 0.7111(6) 0.1958(5) 0.059(3) Uani 1 1 d . . . . .
 H50 H 0.917669 0.735407 0.201987 0.071 Uiso 1 1 calc R . . . .
 C51 C 0.9782(7) 0.6376(5) 0.2138(5) 0.046(2) Uani 1 1 d . . . . .
 C52 C 0.9036(7) 0.5865(5) 0.2451(5) 0.046(2) Uani 1 1 d . . . . .
 C53 C 0.9077(6) 0.5160(5) 0.2617(5) 0.043(2) Uani 1 1 d . . . . .
 C54 C 0.8353(6) 0.4634(5) 0.2932(5) 0.044(2) Uani 1 1 d . . . . .
 H54 H 0.774146 0.472376 0.305885 0.053 Uiso 1 1 calc R . . . .
 C55 C 0.8703(6) 0.3986(5) 0.3016(5) 0.045(2) Uani 1 1 d . . . . .
 C56 C 0.9672(6) 0.4105(5) 0.2743(4) 0.039(2) Uani 1 1 d . . . . .
 C57 C 0.5303(6) 0.4370(5) 0.2575(4) 0.038(2) Uani 1 1 d . . . . .
 C58 C 0.5427(7) 0.5103(5) 0.2454(5) 0.047(2) Uani 1 1 d . . . . .
 C59 C 0.5838(8) 0.5531(6) 0.1847(5) 0.057(3) Uani 1 1 d . . . . .
 H59 H 0.592508 0.602042 0.176741 0.068 Uiso 1 1 calc R . . . .
 C60 C 0.6110(8) 0.5263(7) 0.1381(5) 0.063(3) Uani 1 1 d . . . . .
 C61 C 0.5982(9) 0.4549(8) 0.1487(6) 0.075(4) Uani 1 1 d . . . . .
 H61 H 0.618203 0.435951 0.115338 0.090 Uiso 1 1 calc R . . . .
 C62 C 0.5132(10) 0.5411(7) 0.2980(6) 0.082(4) Uani 1 1 d . . . . .
 H62A H 0.454373 0.520907 0.325409 0.124 Uiso 1 1 calc GR . . . .
 H62B H 0.510786 0.592031 0.281494 0.124 Uiso 1 1 calc GR . . . .
 H62C H 0.555328 0.530187 0.321226 0.124 Uiso 1 1 calc GR . . . .
 C63 C 0.6589(12) 0.5738(8) 0.0703(7) 0.102(6) Uani 1 1 d . . . . .
 H63A H 0.629689 0.618339 0.062168 0.153 Uiso 1 1 calc GR . . . .
 H63B H 0.656043 0.549827 0.041139 0.153 Uiso 1 1 calc GR . . . .
 H63C H 0.720968 0.582926 0.065397 0.153 Uiso 1 1 calc GR . . . .
 C64 C 0.5413(11) 0.3337(8) 0.2190(8) 0.095(5) Uani 1 1 d . . . . .
 H64A H 0.586737 0.307572 0.234895 0.143 Uiso 1 1 calc GR . . . .
 H64B H 0.544997 0.326210 0.179888 0.143 Uiso 1 1 calc GR . . . .
 H64C H 0.482638 0.317333 0.249037 0.143 Uiso 1 1 calc GR . . . .
 C65 C 0.1017(6) 0.3254(5) 0.4675(4) 0.037(2) Uani 1 1 d . . . . .
 C66 C 0.0565(6) 0.3795(5) 0.4880(5) 0.045(2) Uani 1 1 d . . . . .
 C67 C -0.0343(7) 0.3853(6) 0.4896(6) 0.055(3) Uani 1 1 d . . . . .
 H67 H -0.067228 0.421822 0.502355 0.066 Uiso 1 1 calc R . . . .
 C68 C -0.0747(6) 0.3389(6) 0.4729(5) 0.049(2) Uani 1 1 d . . . . .
 C69 C -0.0264(6) 0.2879(6) 0.4530(5) 0.047(2) Uani 1 1 d . . . . .
 H69 H -0.053307 0.257685 0.439384 0.057 Uiso 1 1 calc R . . . .
 C70 C 0.0615(6) 0.2785(5) 0.4520(5) 0.042(2) Uani 1 1 d . . . . .
 C71 C 0.0998(7) 0.4299(6) 0.5049(6) 0.056(3) Uani 1 1 d . . . . .
 H71A H 0.127844 0.404213 0.535600 0.084 Uiso 1 1 calc GR . . . .
 H71B H 0.055398 0.459838 0.522361 0.084 Uiso 1 1 calc GR . . . .
 H71C H 0.144793 0.458996 0.468025 0.084 Uiso 1 1 calc GR . . . .
 C72 C -0.1739(7) 0.3450(7) 0.4780(7) 0.070(4) Uani 1 1 d . . . . .
 H72A H -0.179781 0.380205 0.440852 0.105 Uiso 1 1 calc GR . . . .
 H72B H -0.206026 0.359039 0.514433 0.105 Uiso 1 1 calc GR . . . .
 H72C H -0.198603 0.299511 0.481946 0.105 Uiso 1 1 calc GR . . . .
 C73 C 0.1105(7) 0.2176(7) 0.4332(6) 0.062(3) Uani 1 1 d . . . . .
 H73A H 0.173889 0.230611 0.414332 0.093 Uiso 1 1 calc GR . . . .
 H73B H 0.087957 0.206874 0.403372 0.093 Uiso 1 1 calc GR . . . .
 H73C H 0.101064 0.176330 0.469823 0.093 Uiso 1 1 calc GR . . . .
 C74 C 0.2180(8) 0.0368(6) 0.8654(5) 0.055(3) Uani 1 1 d . . . . .
 C75 C 0.2028(9) 0.0795(6) 0.9052(5) 0.061(3) Uani 1 1 d . . . . .
 C76 C 0.1586(10) 0.0472(8) 0.9671(6) 0.075(4) Uani 1 1 d . . . . .
 H76 H 0.147752 0.074214 0.994679 0.090 Uiso 1 1 calc R . . . .
 C77 C 0.1298(10) -0.0215(8) 0.9904(6) 0.077(4) Uani 1 1 d . . . . .
 C78 C 0.1482(8) -0.0630(8) 0.9501(6) 0.070(4) Uani 1 1 d . . . . .
 H78 H 0.132174 -0.111696 0.966358 0.084 Uiso 1 1 calc R . . . .
 C79 C 0.1996(8) -0.0755(6) 0.8462(6) 0.061(3) Uani 1 1 d . . . . .
 H79A H 0.163005 -0.057547 0.819419 0.092 Uiso 1 1 calc GR . . . .
 H79B H 0.181294 -0.124555 0.870463 0.092 Uiso 1 1 calc GR . . . .
 H79C H 0.261899 -0.072513 0.820829 0.092 Uiso 1 1 calc GR . . . .
 C80 C 0.2308(10) 0.1543(7) 0.8804(6) 0.072(4) Uani 1 1 d . . . . .
 H80A H 0.285236 0.161646 0.845100 0.107 Uiso 1 1 calc GR . . . .
 H80B H 0.241785 0.169520 0.912533 0.107 Uiso 1 1 calc GR . . . .
 H80C H 0.184131 0.181636 0.866969 0.107 Uiso 1 1 calc GR . . . .
 C81 C 0.0832(10) -0.0549(8) 1.0594(5) 0.081(4) Uani 1 1 d . . . . .
 H81A H 0.043044 -0.093714 1.065726 0.121 Uiso 1 1 calc GR . . . .
 H81B H 0.049252 -0.019751 1.076594 0.121 Uiso 1 1 calc GR . . . .
 H81C H 0.127318 -0.072744 1.080165 0.121 Uiso 1 1 calc GR . . . .
 C82 C 0.6501(6) 0.1205(5) 0.6444(5) 0.043(2) Uani 1 1 d . . . . .
 C83 C 0.6942(7) 0.0598(5) 0.6356(5) 0.048(2) Uani 1 1 d . . . . .
 C84 C 0.7796(8) 0.0529(7) 0.6354(6) 0.066(3) Uani 1 1 d . . . . .
 H84 H 0.806154 0.009515 0.635066 0.079 Uiso 1 1 calc R . . . .
 C85 C 0.8301(8) 0.1090(7) 0.6357(6) 0.063(3) Uani 1 1 d . . . . .
 C86 C 0.7850(7) 0.1702(7) 0.6437(6) 0.062(3) Uani 1 1 d . . . . .
 H86 H 0.816095 0.208012 0.645555 0.074 Uiso 1 1 calc R . . . .
 C87 C 0.6974(8) 0.1748(7) 0.6487(6) 0.061(3) Uani 1 1 d . . . . .
 C88 C 0.6530(9) 0.2392(7) 0.6585(7) 0.074(4) Uani 1 1 d . . . . .
 H88A H 0.625490 0.260025 0.626325 0.112 Uiso 1 1 calc GR . . . .
 H88B H 0.696804 0.272935 0.656370 0.112 Uiso 1 1 calc GR . . . .
 H88C H 0.607388 0.227007 0.699141 0.112 Uiso 1 1 calc GR . . . .
 C89 C 0.6443(8) 0.0006(6) 0.6319(6) 0.063(3) Uani 1 1 d . . . . .
 H89A H 0.595049 -0.017176 0.670331 0.095 Uiso 1 1 calc GR . . . .
 H89B H 0.684248 -0.037163 0.625895 0.095 Uiso 1 1 calc GR . . . .
 H89C H 0.621197 0.017765 0.597049 0.095 Uiso 1 1 calc GR . . . .
 C90 C 0.9298(9) 0.1029(10) 0.6287(8) 0.100(6) Uani 1 1 d . . . . .
 H90A H 0.938368 0.059684 0.659067 0.149 Uiso 1 1 calc GR . . . .
 H90B H 0.951270 0.143366 0.635801 0.149 Uiso 1 1 calc GR . . . .
 H90C H 0.962954 0.101830 0.586976 0.149 Uiso 1 1 calc GR . . . .
 C91 C 0.8180(8) 0.6096(7) 0.3652(6) 0.062(3) Uani 1 1 d . . . . .
 H91A H 0.814984 0.558318 0.382026 0.093 Uiso 1 1 calc GR . . . .
 H91B H 0.786651 0.629444 0.398214 0.093 Uiso 1 1 calc GR . . . .
 H91C H 0.880006 0.626976 0.347930 0.093 Uiso 1 1 calc GR . . . .
 C92 C 0.7749(7) 0.6313(6) 0.3146(5) 0.052(3) Uani 1 1 d . . . . .
 C93 C 0.8148(7) 0.6175(5) 0.2575(5) 0.048(2) Uani 1 1 d . . . . .
 C94 C 0.7769(8) 0.6405(6) 0.2088(6) 0.057(3) Uani 1 1 d . . . . .
 C95 C 0.8161(9) 0.6276(7) 0.1500(6) 0.070(3) Uani 1 1 d . . . . .
 H95A H 0.877965 0.645495 0.132163 0.106 Uiso 1 1 calc GR . . . .
 H95B H 0.783317 0.651467 0.121861 0.106 Uiso 1 1 calc GR . . . .
 H95C H 0.813582 0.577051 0.156314 0.106 Uiso 1 1 calc GR . . . .
 C96 C 0.6997(8) 0.6773(6) 0.2201(6) 0.060(3) Uani 1 1 d . . . . .
 H96 H 0.674311 0.695255 0.187982 0.072 Uiso 1 1 calc R . . . .
 C97 C 0.6587(7) 0.6887(6) 0.2764(7) 0.062(3) Uani 1 1 d . . . . .
 C98 C 0.6953(8) 0.6651(6) 0.3233(7) 0.066(3) Uani 1 1 d . . . . .
 H98 H 0.665866 0.671929 0.362088 0.079 Uiso 1 1 calc R . . . .
 C99 C 0.5739(11) 0.7273(7) 0.2868(10) 0.109(7) Uani 1 1 d . . . . .
 H99A H 0.526670 0.699649 0.285003 0.164 Uiso 1 1 calc GR . . . .
 H99B H 0.582847 0.772914 0.254610 0.164 Uiso 1 1 calc GR . . . .
 H99C H 0.557280 0.734335 0.327394 0.164 Uiso 1 1 calc GR . . . .
 C100 C 1.2656(9) 0.7855(7) 0.0462(6) 0.069(3) Uani 1 1 d . . . . .
 C101 C 1.2511(8) 0.7612(7) 0.1091(6) 0.063(3) Uani 1 1 d . . . . .
 C102 C 1.2707(10) 0.8062(8) 0.1372(7) 0.088(5) Uani 1 1 d . . . . .
 C103 C 1.3061(12) 0.8717(9) 0.1035(8) 0.096(5) Uani 1 1 d . . . . .
 H103 H 1.318293 0.901519 0.124183 0.115 Uiso 1 1 calc R . . . .
 C104 C 1.3244(11) 0.8959(9) 0.0422(8) 0.090(5) Uani 1 1 d . . . . .
 C105 C 1.3054(9) 0.8518(7) 0.0130(6) 0.075(4) Uani 1 1 d . . . . .
 H105 H 1.319998 0.867368 -0.030728 0.090 Uiso 1 1 calc R . . . .
 C106 C 1.2400(12) 0.7410(9) 0.0142(7) 0.095(5) Uani 1 1 d . . . . .
 H10A H 1.175805 0.741305 0.022283 0.142 Uiso 1 1 calc GR . . . .
 H10B H 1.256986 0.692879 0.029736 0.142 Uiso 1 1 calc GR . . . .
 H10C H 1.270284 0.759698 -0.030350 0.142 Uiso 1 1 calc GR . . . .
 C107 C 1.2514(13) 0.7783(9) 0.2072(7) 0.106(6) Uani 1 1 d . . . . .
 H10D H 1.193367 0.753041 0.226611 0.160 Uiso 1 1 calc GR . . . .
 H10E H 1.251332 0.817558 0.223212 0.160 Uiso 1 1 calc GR . . . .
 H10F H 1.297099 0.746296 0.216658 0.160 Uiso 1 1 calc GR . . . .
 C108 C 1.3682(12) 0.9691(9) 0.0035(9) 0.126(8) Uani 1 1 d . . . . .
 H10G H 1.416523 0.965484 -0.032728 0.189 Uiso 1 1 calc GR . . . .
 H10H H 1.391801 0.988329 0.028499 0.189 Uiso 1 1 calc GR . . . .
 H10I H 1.324204 1.000076 -0.010146 0.189 Uiso 1 1 calc GR . . . .
 C109 C 1.3277(7) 0.2304(6) 0.2190(6) 0.055(3) Uani 1 1 d . . . . .
 C110 C 1.3646(9) 0.2291(10) 0.1583(7) 0.090(5) Uani 1 1 d . . . . .
 C111 C 1.4451(11) 0.1972(12) 0.1404(9) 0.115(7) Uani 1 1 d . . . . .
 H111 H 1.469043 0.193237 0.099977 0.137 Uiso 1 1 calc R . . . .
 C112 C 1.4877(11) 0.1720(10) 0.1838(9) 0.096(5) Uani 1 1 d . . . . .
 C113 C 1.4531(7) 0.1735(7) 0.2437(6) 0.066(3) Uani 1 1 d . . . . .
 H113 H 1.484971 0.154328 0.271846 0.080 Uiso 1 1 calc R . . . .
 C114 C 1.3722(7) 0.2027(6) 0.2637(6) 0.057(3) Uani 1 1 d . . . . .
 C115 C 1.3192(15) 0.2602(14) 0.1102(9) 0.148(10) Uani 1 1 d . . . . .
 H11A H 1.260252 0.237324 0.124190 0.222 Uiso 1 1 calc GR . . . .
 H11B H 1.354407 0.252851 0.071107 0.222 Uiso 1 1 calc GR . . . .
 H11C H 1.313724 0.310575 0.104204 0.222 Uiso 1 1 calc GR . . . .
 C116 C 1.3363(7) 0.2063(6) 0.3277(5) 0.055(3) Uani 1 1 d . . . . .
 H11D H 1.303164 0.248815 0.327778 0.082 Uiso 1 1 calc GR . . . .
 H11E H 1.385206 0.207411 0.343818 0.082 Uiso 1 1 calc GR . . . .
 H11F H 1.296806 0.164989 0.353944 0.082 Uiso 1 1 calc GR . . . .
 C117 C 1.5792(9) 0.1421(9) 0.1640(8) 0.101(6) Uani 1 1 d . . . . .
 H11G H 1.623035 0.169217 0.169908 0.152 Uiso 1 1 calc GR . . . .
 H11H H 1.595750 0.145020 0.120351 0.152 Uiso 1 1 calc GR . . . .
 H11I H 1.577196 0.092977 0.189177 0.152 Uiso 1 1 calc GR . . . .
 C118 C 0.8913(6) 0.0865(5) 0.3867(5) 0.041(2) Uani 1 1 d . . . . .
 C119 C 0.8535(8) 0.0523(6) 0.3581(6) 0.056(3) Uani 1 1 d . . . . .
 C120 C 0.8014(8) -0.0084(6) 0.3928(6) 0.063(3) Uani 1 1 d . . . . .
 H120 H 0.774762 -0.030468 0.372531 0.076 Uiso 1 1 calc R . . . .
 C121 C 0.7864(7) -0.0379(6) 0.4541(6) 0.052(3) Uani 1 1 d . . . . .
 C122 C 0.8287(8) -0.0069(6) 0.4824(6) 0.059(3) Uani 1 1 d . . . . .
 H122 H 0.821719 -0.028343 0.524927 0.070 Uiso 1 1 calc R . . . .
 C123 C 0.8813(8) 0.0548(6) 0.4505(6) 0.053(3) Uani 1 1 d . . . . .
 C124 C 0.9249(11) 0.0887(7) 0.4821(6) 0.082(5) Uani 1 1 d . . . . .
 H12A H 0.985714 0.104423 0.455566 0.124 Uiso 1 1 calc GR . . . .
 H12B H 0.925882 0.054782 0.521306 0.124 Uiso 1 1 calc GR . . . .
 H12C H 0.891796 0.129060 0.490123 0.124 Uiso 1 1 calc GR . . . .
 C125 C 0.7268(10) -0.1009(6) 0.4912(7) 0.074(4) Uani 1 1 d . . . . .
 H12D H 0.698989 -0.099018 0.533410 0.111 Uiso 1 1 calc GR . . . .
 H12E H 0.761053 -0.143050 0.492330 0.111 Uiso 1 1 calc GR . . . .
 H12F H 0.680897 -0.102489 0.472594 0.111 Uiso 1 1 calc GR . . . .
 C126 C 0.8685(12) 0.0814(9) 0.2896(7) 0.097(5) Uani 1 1 d . . . . .
 H12G H 0.834659 0.123405 0.281067 0.145 Uiso 1 1 calc GR . . . .
 H12H H 0.849032 0.046035 0.275384 0.145 Uiso 1 1 calc GR . . . .
 H12I H 0.931666 0.093585 0.267729 0.145 Uiso 1 1 calc GR . . . .
 C127 C 0.1886(7) -0.0335(6) 0.8882(5) 0.054(3) Uani 1 1 d . . . . .
 C128 C 0.5560(9) 0.4114(7) 0.2082(6) 0.065(3) Uani 1 1 d . . . . .


_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_
  _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 N7 1.966(8) . ?
 Pd1 N8 2.031(9) . ?
 Pd1 N9 1.993(9) . ?
 Pd1 C56 1.974(9) . ?
 N1 Pd3 2.039(7) . ?
 N1 C6 1.383(11) . ?
 N1 C9 1.366(11) . ?
 C1 C2 1.424(13) . ?
 C1 N3 1.352(12) . ?
 C1 C27 1.449(13) . ?
 Pd2 N10 2.009(8) . ?
 Pd2 N11 2.049(9) . ?
 Pd2 N12 1.987(10) . ?
 Pd2 C42 1.969(10) . ?
 N2 Pd3 1.989(8) . ?
 N2 C11 1.417(11) . ?
 N2 C14 1.303(12) . ?
 C2 C3 1.355(13) . ?
 C2 C30 1.476(13) . ?
 Pd3 N3 1.953(8) . ?
 Pd3 C28 1.978(9) . ?
 N3 C4 1.356(12) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.465(12) . ?
 Pd4 N4 1.990(8) . ?
 Pd4 N5 2.040(8) . ?
 Pd4 N6 1.938(8) . ?
 Pd4 C14 1.978(10) . ?
 N4 C25 1.430(12) . ?
 N4 C28 1.290(11) . ?
 C4 C5 1.371(14) . ?
 N5 C20 1.383(12) . ?
 N5 C23 1.362(12) . ?
 C5 C6 1.392(13) . ?
 C5 C57 1.508(12) . ?
 N6 C15 1.359(13) . ?
 N6 C18 1.389(12) . ?
 C6 C7 1.428(12) . ?
 N7 C29 1.344(12) . ?
 N7 C32 1.355(13) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.363(13) . ?
 N8 C34 1.407(14) . ?
 N8 C37 1.313(13) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.431(13) . ?
 N9 C39 1.381(13) . ?
 N9 C42 1.334(14) . ?
 C9 C10 1.389(13) . ?
 N10 C53 1.439(12) . ?
 N10 C56 1.298(13) . ?
 C10 C11 1.392(12) . ?
 C10 C65 1.528(12) . ?
 N11 C48 1.388(14) . ?
 N11 C51 1.331(13) . ?
 C11 C12 1.452(12) . ?
 N12 C43 1.360(15) . ?
 N12 C46 1.338(15) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.395(12) . ?
 C13 C14 1.466(12) . ?
 C13 C15 1.431(13) . ?
 C15 C16 1.414(13) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.386(14) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.411(14) . ?
 C18 C19 1.397(14) . ?
 C19 C20 1.404(14) . ?
 C19 C74 1.536(13) . ?
 C20 C21 1.441(13) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.367(15) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.413(13) . ?
 C23 C24 1.440(14) . ?
 C24 C25 1.362(13) . ?
 C24 C82 1.528(12) . ?
 C25 C26 1.424(13) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.377(13) . ?
 C27 C28 1.499(12) . ?
 C29 C30 1.422(13) . ?
 C29 C55 1.448(14) . ?
 C30 C31 1.363(14) . ?
 C31 H31 0.9500 . ?
 C31 C32 1.417(13) . ?
 C32 C33 1.410(13) . ?
 C33 C34 1.430(14) . ?
 C33 C118 1.485(14) . ?
 C34 C35 1.419(14) . ?
 C35 H35 0.9500 . ?
 C35 C36 1.349(16) . ?
 C36 H36 0.9500 . ?
 C36 C37 1.473(17) . ?
 C37 C38 1.426(16) . ?
 C38 C39 1.390(16) . ?
 C38 C109 1.519(15) . ?
 C39 C40 1.460(15) . ?
 C40 H40 0.9500 . ?
 C40 C41 1.379(17) . ?
 C41 C42 1.445(14) . ?
 C41 C43 1.459(18) . ?
 C43 C44 1.391(17) . ?
 C44 H44 0.9500 . ?
 C44 C45 1.34(2) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.425(17) . ?
 C46 C47 1.407(19) . ?
 C47 C48 1.398(17) . ?
 C47 C101 1.485(17) . ?
 C48 C49 1.470(16) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.374(16) . ?
 C50 H50 0.9500 . ?
 C50 C51 1.412(15) . ?
 C51 C52 1.456(13) . ?
 C52 C53 1.351(14) . ?
 C52 C93 1.494(14) . ?
 C53 C54 1.449(13) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.371(14) . ?
 C55 C56 1.475(12) . ?
 C57 C58 1.423(14) . ?
 C57 C128 1.370(15) . ?
 C58 C59 1.402(14) . ?
 C58 C62 1.508(16) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.332(16) . ?
 C60 C61 1.391(19) . ?
 C60 C63 1.569(16) . ?
 C61 H61 0.9500 . ?
 C61 C128 1.391(17) . ?
 C62 H62A 0.9800 . ?
 C62 H62B 0.9800 . ?
 C62 H62C 0.9800 . ?
 C63 H63A 0.9800 . ?
 C63 H63B 0.9800 . ?
 C63 H63C 0.9800 . ?
 C64 H64A 0.9800 . ?
 C64 H64B 0.9800 . ?
 C64 H64C 0.9800 . ?
 C64 C128 1.519(19) . ?
 C65 C66 1.401(13) . ?
 C65 C70 1.371(13) . ?
 C66 C67 1.437(13) . ?
 C66 C71 1.477(14) . ?
 C67 H67 0.9500 . ?
 C67 C68 1.383(15) . ?
 C68 C69 1.362(15) . ?
 C68 C72 1.550(13) . ?
 C69 H69 0.9500 . ?
 C69 C70 1.399(13) . ?
 C70 C73 1.524(15) . ?
 C71 H71A 0.9800 . ?
 C71 H71B 0.9800 . ?
 C71 H71C 0.9800 . ?
 C72 H72A 0.9800 . ?
 C72 H72B 0.9800 . ?
 C72 H72C 0.9800 . ?
 C73 H73A 0.9800 . ?
 C73 H73B 0.9800 . ?
 C73 H73C 0.9800 . ?
 C74 C75 1.433(16) . ?
 C74 C127 1.392(17) . ?
 C75 C76 1.382(16) . ?
 C75 C80 1.469(17) . ?
 C76 H76 0.9500 . ?
 C76 C77 1.36(2) . ?
 C77 C78 1.42(2) . ?
 C77 C81 1.525(15) . ?
 C78 H78 0.9500 . ?
 C78 C127 1.363(15) . ?
 C79 H79A 0.9800 . ?
 C79 H79B 0.9800 . ?
 C79 H79C 0.9800 . ?
 C79 C127 1.471(16) . ?
 C80 H80A 0.9800 . ?
 C80 H80B 0.9800 . ?
 C80 H80C 0.9800 . ?
 C81 H81A 0.9800 . ?
 C81 H81B 0.9800 . ?
 C81 H81C 0.9800 . ?
 C82 C83 1.413(14) . ?
 C82 C87 1.407(16) . ?
 C83 C84 1.361(15) . ?
 C83 C89 1.507(15) . ?
 C84 H84 0.9500 . ?
 C84 C85 1.424(17) . ?
 C85 C86 1.424(16) . ?
 C85 C90 1.550(16) . ?
 C86 H86 0.9500 . ?
 C86 C87 1.366(16) . ?
 C87 C88 1.489(16) . ?
 C88 H88A 0.9800 . ?
 C88 H88B 0.9800 . ?
 C88 H88C 0.9800 . ?
 C89 H89A 0.9800 . ?
 C89 H89B 0.9800 . ?
 C89 H89C 0.9800 . ?
 C90 H90A 0.9800 . ?
 C90 H90B 0.9800 . ?
 C90 H90C 0.9800 . ?
 C91 H91A 0.9800 . ?
 C91 H91B 0.9800 . ?
 C91 H91C 0.9800 . ?
 C91 C92 1.521(14) . ?
 C92 C93 1.423(16) . ?
 C92 C98 1.394(16) . ?
 C93 C94 1.426(14) . ?
 C94 C95 1.450(17) . ?
 C94 C96 1.398(16) . ?
 C95 H95A 0.9800 . ?
 C95 H95B 0.9800 . ?
 C95 H95C 0.9800 . ?
 C96 H96 0.9500 . ?
 C96 C97 1.384(18) . ?
 C97 C98 1.377(18) . ?
 C97 C99 1.511(17) . ?
 C98 H98 0.9500 . ?
 C99 H99A 0.9800 . ?
 C99 H99B 0.9800 . ?
 C99 H99C 0.9800 . ?
 C100 C101 1.381(18) . ?
 C100 C105 1.386(18) . ?
 C100 C106 1.490(19) . ?
 C101 C102 1.39(2) . ?
 C102 C103 1.35(2) . ?
 C102 C107 1.53(2) . ?
 C103 H103 0.9500 . ?
 C103 C104 1.34(2) . ?
 C104 C105 1.39(2) . ?
 C104 C108 1.537(19) . ?
 C105 H105 0.9500 . ?
 C106 H10A 0.9800 . ?
 C106 H10B 0.9800 . ?
 C106 H10C 0.9800 . ?
 C107 H10D 0.9800 . ?
 C107 H10E 0.9800 . ?
 C107 H10F 0.9800 . ?
 C108 H10G 0.9800 . ?
 C108 H10H 0.9800 . ?
 C108 H10I 0.9800 . ?
 C109 C110 1.395(18) . ?
 C109 C114 1.428(16) . ?
 C110 C111 1.41(2) . ?
 C110 C115 1.51(2) . ?
 C111 H111 0.9500 . ?
 C111 C112 1.38(2) . ?
 C112 C113 1.38(2) . ?
 C112 C117 1.535(19) . ?
 C113 H113 0.9500 . ?
 C113 C114 1.393(15) . ?
 C114 C116 1.485(16) . ?
 C115 H11A 0.9800 . ?
 C115 H11B 0.9800 . ?
 C115 H11C 0.9800 . ?
 C116 H11D 0.9800 . ?
 C116 H11E 0.9800 . ?
 C116 H11F 0.9800 . ?
 C117 H11G 0.9800 . ?
 C117 H11H 0.9800 . ?
 C117 H11I 0.9800 . ?
 C118 C119 1.383(14) . ?
 C118 C123 1.425(15) . ?
 C119 C120 1.382(17) . ?
 C119 C126 1.508(19) . ?
 C120 H120 0.9500 . ?
 C120 C121 1.350(17) . ?
 C121 C122 1.384(15) . ?
 C121 C125 1.480(17) . ?
 C122 H122 0.9500 . ?
 C122 C123 1.392(16) . ?
 C123 C124 1.497(16) . ?
 C124 H12A 0.9800 . ?
 C124 H12B 0.9800 . ?
 C124 H12C 0.9800 . ?
 C125 H12D 0.9800 . ?
 C125 H12E 0.9800 . ?
 C125 H12F 0.9800 . ?
 C126 H12G 0.9800 . ?
 C126 H12H 0.9800 . ?
 C126 H12I 0.9800 . ?

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
 N7 Pd1 N8 90.3(3) . . ?
 N7 Pd1 N9 177.9(4) . . ?
 N7 Pd1 C56 80.7(3) . . ?
 N9 Pd1 N8 90.5(3) . . ?
 C56 Pd1 N8 170.9(4) . . ?
 C56 Pd1 N9 98.5(4) . . ?
 C6 N1 Pd3 125.1(6) . . ?
 C9 N1 Pd3 125.8(6) . . ?
 C9 N1 C6 109.1(7) . . ?
 C2 C1 C27 137.8(9) . . ?
 N3 C1 C2 109.6(8) . . ?
 N3 C1 C27 112.6(8) . . ?
 N10 Pd2 N11 92.3(3) . . ?
 N12 Pd2 N10 178.3(4) . . ?
 N12 Pd2 N11 88.9(4) . . ?
 C42 Pd2 N10 97.6(4) . . ?
 C42 Pd2 N11 170.0(4) . . ?
 C42 Pd2 N12 81.1(4) . . ?
 C11 N2 Pd3 126.1(6) . . ?
 C14 N2 Pd3 125.5(6) . . ?
 C14 N2 C11 108.2(8) . . ?
 C1 C2 C30 128.5(9) . . ?
 C3 C2 C1 105.7(8) . . ?
 C3 C2 C30 125.2(9) . . ?
 N2 Pd3 N1 91.7(3) . . ?
 N3 Pd3 N1 89.9(3) . . ?
 N3 Pd3 N2 178.3(3) . . ?
 N3 Pd3 C28 81.3(3) . . ?
 C28 Pd3 N1 171.1(3) . . ?
 C28 Pd3 N2 97.1(3) . . ?
 C1 N3 Pd3 120.0(6) . . ?
 C1 N3 C4 110.2(8) . . ?
 C4 N3 Pd3 129.8(6) . . ?
 C2 C3 H3 125.5 . . ?
 C2 C3 C4 109.1(9) . . ?
 C4 C3 H3 125.5 . . ?
 N4 Pd4 N5 92.2(3) . . ?
 N6 Pd4 N4 177.3(3) . . ?
 N6 Pd4 N5 90.4(3) . . ?
 N6 Pd4 C14 80.3(4) . . ?
 C14 Pd4 N4 97.1(3) . . ?
 C14 Pd4 N5 170.5(4) . . ?
 C25 N4 Pd4 125.6(6) . . ?
 C28 N4 Pd4 125.7(6) . . ?
 C28 N4 C25 108.6(8) . . ?
 N3 C4 C3 105.4(8) . . ?
 N3 C4 C5 124.2(8) . . ?
 C5 C4 C3 130.2(9) . . ?
 C20 N5 Pd4 125.3(7) . . ?
 C23 N5 Pd4 126.1(7) . . ?
 C23 N5 C20 108.3(8) . . ?
 C4 C5 C6 125.9(9) . . ?
 C4 C5 C57 116.8(8) . . ?
 C6 C5 C57 117.3(8) . . ?
 C15 N6 Pd4 121.8(7) . . ?
 C15 N6 C18 107.3(8) . . ?
 C18 N6 Pd4 130.9(7) . . ?
 N1 C6 C5 125.0(8) . . ?
 N1 C6 C7 107.5(8) . . ?
 C5 C6 C7 127.3(9) . . ?
 C29 N7 Pd1 119.0(7) . . ?
 C29 N7 C32 109.4(8) . . ?
 C32 N7 Pd1 131.6(7) . . ?
 C6 C7 H7 126.1 . . ?
 C8 C7 C6 107.7(8) . . ?
 C8 C7 H7 126.1 . . ?
 C34 N8 Pd1 124.3(6) . . ?
 C37 N8 Pd1 127.3(9) . . ?
 C37 N8 C34 108.3(10) . . ?
 C7 C8 H8 126.0 . . ?
 C7 C8 C9 108.0(8) . . ?
 C9 C8 H8 126.0 . . ?
 C39 N9 Pd1 126.7(8) . . ?
 C42 N9 Pd1 124.7(7) . . ?
 C42 N9 C39 108.6(9) . . ?
 N1 C9 C8 107.7(8) . . ?
 N1 C9 C10 124.7(8) . . ?
 C10 C9 C8 127.6(8) . . ?
 C53 N10 Pd2 123.8(7) . . ?
 C56 N10 Pd2 125.9(6) . . ?
 C56 N10 C53 110.2(8) . . ?
 C9 C10 C11 127.9(9) . . ?
 C9 C10 C65 116.6(8) . . ?
 C11 C10 C65 115.5(8) . . ?
 C48 N11 Pd2 124.0(7) . . ?
 C51 N11 Pd2 126.5(7) . . ?
 C51 N11 C48 109.4(9) . . ?
 N2 C11 C12 109.0(7) . . ?
 C10 C11 N2 123.5(8) . . ?
 C10 C11 C12 127.4(8) . . ?
 C43 N12 Pd2 117.3(8) . . ?
 C46 N12 Pd2 131.6(9) . . ?
 C46 N12 C43 111.0(11) . . ?
 C11 C12 H12 127.5 . . ?
 C13 C12 C11 105.1(8) . . ?
 C13 C12 H12 127.5 . . ?
 C12 C13 C14 107.2(8) . . ?
 C12 C13 C15 137.0(9) . . ?
 C15 C13 C14 115.8(8) . . ?
 N2 C14 Pd4 137.2(7) . . ?
 N2 C14 C13 110.4(8) . . ?
 C13 C14 Pd4 112.4(7) . . ?
 N6 C15 C13 109.7(8) . . ?
 N6 C15 C16 110.3(9) . . ?
 C16 C15 C13 140.1(9) . . ?
 C15 C16 H16 126.9 . . ?
 C17 C16 C15 106.2(9) . . ?
 C17 C16 H16 126.9 . . ?
 C16 C17 H17 126.1 . . ?
 C16 C17 C18 107.8(9) . . ?
 C18 C17 H17 126.1 . . ?
 N6 C18 C17 108.4(9) . . ?
 N6 C18 C19 121.5(9) . . ?
 C19 C18 C17 129.9(9) . . ?
 C18 C19 C20 127.0(9) . . ?
 C18 C19 C74 114.6(9) . . ?
 C20 C19 C74 118.4(9) . . ?
 N5 C20 C19 124.6(9) . . ?
 N5 C20 C21 107.6(9) . . ?
 C19 C20 C21 127.6(9) . . ?
 C20 C21 H21 126.5 . . ?
 C22 C21 C20 107.0(9) . . ?
 C22 C21 H21 126.5 . . ?
 C21 C22 H22 126.0 . . ?
 C21 C22 C23 107.9(9) . . ?
 C23 C22 H22 126.0 . . ?
 N5 C23 C22 109.1(9) . . ?
 N5 C23 C24 123.7(8) . . ?
 C22 C23 C24 127.2(9) . . ?
 C23 C24 C82 115.6(8) . . ?
 C25 C24 C23 127.7(9) . . ?
 C25 C24 C82 116.6(9) . . ?
 C24 C25 N4 124.4(9) . . ?
 C24 C25 C26 127.2(9) . . ?
 C26 C25 N4 108.3(8) . . ?
 C25 C26 H26 126.3 . . ?
 C27 C26 C25 107.3(8) . . ?
 C27 C26 H26 126.3 . . ?
 C1 C27 C28 113.2(8) . . ?
 C26 C27 C1 140.9(9) . . ?
 C26 C27 C28 105.8(8) . . ?
 N4 C28 Pd3 137.3(7) . . ?
 N4 C28 C27 109.8(8) . . ?
 C27 C28 Pd3 112.8(6) . . ?
 N7 C29 C30 108.4(9) . . ?
 N7 C29 C55 113.7(8) . . ?
 C30 C29 C55 137.4(9) . . ?
 C29 C30 C2 125.5(9) . . ?
 C31 C30 C2 126.9(9) . . ?
 C31 C30 C29 106.7(8) . . ?
 C30 C31 H31 126.2 . . ?
 C30 C31 C32 107.7(9) . . ?
 C32 C31 H31 126.2 . . ?
 N7 C32 C31 107.8(8) . . ?
 N7 C32 C33 123.1(9) . . ?
 C33 C32 C31 129.0(9) . . ?
 C32 C33 C34 123.9(9) . . ?
 C32 C33 C118 116.8(9) . . ?
 C34 C33 C118 119.3(9) . . ?
 N8 C34 C33 126.4(9) . . ?
 N8 C34 C35 108.4(9) . . ?
 C35 C34 C33 125.1(10) . . ?
 C34 C35 H35 126.3 . . ?
 C36 C35 C34 107.4(11) . . ?
 C36 C35 H35 126.3 . . ?
 C35 C36 H36 126.5 . . ?
 C35 C36 C37 107.0(10) . . ?
 C37 C36 H36 126.5 . . ?
 N8 C37 C36 108.9(11) . . ?
 N8 C37 C38 125.2(12) . . ?
 C38 C37 C36 125.7(10) . . ?
 C37 C38 C109 116.4(11) . . ?
 C39 C38 C37 125.1(10) . . ?
 C39 C38 C109 118.4(10) . . ?
 N9 C39 C38 125.0(10) . . ?
 N9 C39 C40 109.8(10) . . ?
 C38 C39 C40 125.3(10) . . ?
 C39 C40 H40 128.1 . . ?
 C41 C40 C39 103.7(9) . . ?
 C41 C40 H40 128.1 . . ?
 C40 C41 C42 109.3(11) . . ?
 C40 C41 C43 137.6(11) . . ?
 C42 C41 C43 113.0(11) . . ?
 N9 C42 Pd2 136.8(7) . . ?
 N9 C42 C41 108.4(9) . . ?
 C41 C42 Pd2 114.8(8) . . ?
 N12 C43 C41 113.7(10) . . ?
 N12 C43 C44 106.2(12) . . ?
 C44 C43 C41 140.1(12) . . ?
 C43 C44 H44 125.4 . . ?
 C45 C44 C43 109.1(13) . . ?
 C45 C44 H44 125.4 . . ?
 C44 C45 H45 126.4 . . ?
 C44 C45 C46 107.2(12) . . ?
 C46 C45 H45 126.4 . . ?
 N12 C46 C45 106.3(12) . . ?
 N12 C46 C47 123.9(11) . . ?
 C47 C46 C45 129.8(12) . . ?
 C46 C47 C101 118.2(12) . . ?
 C48 C47 C46 122.9(11) . . ?
 C48 C47 C101 118.9(12) . . ?
 N11 C48 C47 128.4(11) . . ?
 N11 C48 C49 105.9(9) . . ?
 C47 C48 C49 125.7(11) . . ?
 C48 C49 H49 126.4 . . ?
 C50 C49 C48 107.2(10) . . ?
 C50 C49 H49 126.4 . . ?
 C49 C50 H50 126.6 . . ?
 C49 C50 C51 106.9(10) . . ?
 C51 C50 H50 126.6 . . ?
 N11 C51 C50 110.6(9) . . ?
 N11 C51 C52 124.6(9) . . ?
 C50 C51 C52 124.7(10) . . ?
 C51 C52 C93 114.7(9) . . ?
 C53 C52 C51 126.5(10) . . ?
 C53 C52 C93 118.8(9) . . ?
 N10 C53 C54 105.5(8) . . ?
 C52 C53 N10 126.2(9) . . ?
 C52 C53 C54 128.2(10) . . ?
 C53 C54 H54 125.9 . . ?
 C55 C54 C53 108.2(8) . . ?
 C55 C54 H54 125.9 . . ?
 C29 C55 C56 112.2(9) . . ?
 C54 C55 C29 141.1(9) . . ?
 C54 C55 C56 106.7(9) . . ?
 N10 C56 Pd1 136.4(7) . . ?
 N10 C56 C55 109.3(8) . . ?
 C55 C56 Pd1 114.2(7) . . ?
 C58 C57 C5 119.5(9) . . ?
 C128 C57 C5 122.6(10) . . ?
 C128 C57 C58 118.0(10) . . ?
 C57 C58 C62 119.8(9) . . ?
 C59 C58 C57 119.5(10) . . ?
 C59 C58 C62 120.7(10) . . ?
 C58 C59 H59 119.5 . . ?
 C60 C59 C58 121.1(11) . . ?
 C60 C59 H59 119.5 . . ?
 C59 C60 C61 120.4(11) . . ?
 C59 C60 C63 121.2(12) . . ?
 C61 C60 C63 118.4(12) . . ?
 C60 C61 H61 120.1 . . ?
 C128 C61 C60 119.8(13) . . ?
 C128 C61 H61 120.1 . . ?
 C58 C62 H62A 109.5 . . ?
 C58 C62 H62B 109.5 . . ?
 C58 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?
 C60 C63 H63A 109.5 . . ?
 C60 C63 H63B 109.5 . . ?
 C60 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 H64A C64 H64B 109.5 . . ?
 H64A C64 H64C 109.5 . . ?
 H64B C64 H64C 109.5 . . ?
 C128 C64 H64A 109.5 . . ?
 C128 C64 H64B 109.5 . . ?
 C128 C64 H64C 109.5 . . ?
 C66 C65 C10 118.0(8) . . ?
 C70 C65 C10 119.3(9) . . ?
 C70 C65 C66 122.5(8) . . ?
 C65 C66 C67 116.4(9) . . ?
 C65 C66 C71 122.4(8) . . ?
 C67 C66 C71 121.1(9) . . ?
 C66 C67 H67 119.4 . . ?
 C68 C67 C66 121.3(10) . . ?
 C68 C67 H67 119.4 . . ?
 C67 C68 C72 119.7(10) . . ?
 C69 C68 C67 119.0(9) . . ?
 C69 C68 C72 121.3(10) . . ?
 C68 C69 H69 118.9 . . ?
 C68 C69 C70 122.2(10) . . ?
 C70 C69 H69 118.9 . . ?
 C65 C70 C69 118.4(9) . . ?
 C65 C70 C73 121.7(9) . . ?
 C69 C70 C73 120.0(9) . . ?
 C66 C71 H71A 109.5 . . ?
 C66 C71 H71B 109.5 . . ?
 C66 C71 H71C 109.5 . . ?
 H71A C71 H71B 109.5 . . ?
 H71A C71 H71C 109.5 . . ?
 H71B C71 H71C 109.5 . . ?
 C68 C72 H72A 109.5 . . ?
 C68 C72 H72B 109.5 . . ?
 C68 C72 H72C 109.5 . . ?
 H72A C72 H72B 109.5 . . ?
 H72A C72 H72C 109.5 . . ?
 H72B C72 H72C 109.5 . . ?
 C70 C73 H73A 109.5 . . ?
 C70 C73 H73B 109.5 . . ?
 C70 C73 H73C 109.5 . . ?
 H73A C73 H73B 109.5 . . ?
 H73A C73 H73C 109.5 . . ?
 H73B C73 H73C 109.5 . . ?
 C75 C74 C19 118.2(10) . . ?
 C127 C74 C19 120.2(11) . . ?
 C127 C74 C75 121.4(10) . . ?
 C74 C75 C80 121.0(10) . . ?
 C76 C75 C74 116.5(12) . . ?
 C76 C75 C80 122.4(12) . . ?
 C75 C76 H76 118.5 . . ?
 C77 C76 C75 123.0(14) . . ?
 C77 C76 H76 118.5 . . ?
 C76 C77 C78 119.0(12) . . ?
 C76 C77 C81 120.8(15) . . ?
 C78 C77 C81 120.1(14) . . ?
 C77 C78 H78 119.7 . . ?
 C127 C78 C77 120.6(14) . . ?
 C127 C78 H78 119.7 . . ?
 H79A C79 H79B 109.5 . . ?
 H79A C79 H79C 109.5 . . ?
 H79B C79 H79C 109.5 . . ?
 C127 C79 H79A 109.5 . . ?
 C127 C79 H79B 109.5 . . ?
 C127 C79 H79C 109.5 . . ?
 C75 C80 H80A 109.5 . . ?
 C75 C80 H80B 109.5 . . ?
 C75 C80 H80C 109.5 . . ?
 H80A C80 H80B 109.5 . . ?
 H80A C80 H80C 109.5 . . ?
 H80B C80 H80C 109.5 . . ?
 C77 C81 H81A 109.5 . . ?
 C77 C81 H81B 109.5 . . ?
 C77 C81 H81C 109.5 . . ?
 H81A C81 H81B 109.5 . . ?
 H81A C81 H81C 109.5 . . ?
 H81B C81 H81C 109.5 . . ?
 C83 C82 C24 121.2(9) . . ?
 C87 C82 C24 119.4(9) . . ?
 C87 C82 C83 119.1(9) . . ?
 C82 C83 C89 119.9(10) . . ?
 C84 C83 C82 119.6(10) . . ?
 C84 C83 C89 120.3(10) . . ?
 C83 C84 H84 119.1 . . ?
 C83 C84 C85 121.8(11) . . ?
 C85 C84 H84 119.1 . . ?
 C84 C85 C90 121.2(12) . . ?
 C86 C85 C84 117.4(11) . . ?
 C86 C85 C90 121.4(11) . . ?
 C85 C86 H86 119.8 . . ?
 C87 C86 C85 120.3(11) . . ?
 C87 C86 H86 119.8 . . ?
 C82 C87 C88 120.6(10) . . ?
 C86 C87 C82 121.2(12) . . ?
 C86 C87 C88 118.2(12) . . ?
 C87 C88 H88A 109.5 . . ?
 C87 C88 H88B 109.5 . . ?
 C87 C88 H88C 109.5 . . ?
 H88A C88 H88B 109.5 . . ?
 H88A C88 H88C 109.5 . . ?
 H88B C88 H88C 109.5 . . ?
 C83 C89 H89A 109.5 . . ?
 C83 C89 H89B 109.5 . . ?
 C83 C89 H89C 109.5 . . ?
 H89A C89 H89B 109.5 . . ?
 H89A C89 H89C 109.5 . . ?
 H89B C89 H89C 109.5 . . ?
 C85 C90 H90A 109.5 . . ?
 C85 C90 H90B 109.5 . . ?
 C85 C90 H90C 109.5 . . ?
 H90A C90 H90B 109.5 . . ?
 H90A C90 H90C 109.5 . . ?
 H90B C90 H90C 109.5 . . ?
 H91A C91 H91B 109.5 . . ?
 H91A C91 H91C 109.5 . . ?
 H91B C91 H91C 109.5 . . ?
 C92 C91 H91A 109.5 . . ?
 C92 C91 H91B 109.5 . . ?
 C92 C91 H91C 109.5 . . ?
 C93 C92 C91 120.7(9) . . ?
 C98 C92 C91 120.7(11) . . ?
 C98 C92 C93 118.6(10) . . ?
 C92 C93 C52 119.6(9) . . ?
 C92 C93 C94 121.1(10) . . ?
 C94 C93 C52 118.9(11) . . ?
 C93 C94 C95 122.5(11) . . ?
 C96 C94 C93 116.6(12) . . ?
 C96 C94 C95 120.9(11) . . ?
 C94 C95 H95A 109.5 . . ?
 C94 C95 H95B 109.5 . . ?
 C94 C95 H95C 109.5 . . ?
 H95A C95 H95B 109.5 . . ?
 H95A C95 H95C 109.5 . . ?
 H95B C95 H95C 109.5 . . ?
 C94 C96 H96 118.7 . . ?
 C97 C96 C94 122.6(10) . . ?
 C97 C96 H96 118.7 . . ?
 C96 C97 C99 120.5(13) . . ?
 C98 C97 C96 120.0(11) . . ?
 C98 C97 C99 119.5(14) . . ?
 C92 C98 H98 119.5 . . ?
 C97 C98 C92 121.0(13) . . ?
 C97 C98 H98 119.5 . . ?
 C97 C99 H99A 109.5 . . ?
 C97 C99 H99B 109.5 . . ?
 C97 C99 H99C 109.5 . . ?
 H99A C99 H99B 109.5 . . ?
 H99A C99 H99C 109.5 . . ?
 H99B C99 H99C 109.5 . . ?
 C101 C100 C105 118.8(13) . . ?
 C101 C100 C106 120.8(13) . . ?
 C105 C100 C106 120.4(13) . . ?
 C100 C101 C47 116.9(12) . . ?
 C100 C101 C102 118.5(12) . . ?
 C102 C101 C47 124.4(12) . . ?
 C101 C102 C107 117.1(12) . . ?
 C103 C102 C101 120.9(15) . . ?
 C103 C102 C107 122.0(16) . . ?
 C102 C103 H103 118.9 . . ?
 C104 C103 C102 122.2(17) . . ?
 C104 C103 H103 118.9 . . ?
 C103 C104 C105 118.0(15) . . ?
 C103 C104 C108 122.4(17) . . ?
 C105 C104 C108 119.5(15) . . ?
 C100 C105 C104 121.4(13) . . ?
 C100 C105 H105 119.3 . . ?
 C104 C105 H105 119.3 . . ?
 C100 C106 H10A 109.5 . . ?
 C100 C106 H10B 109.5 . . ?
 C100 C106 H10C 109.5 . . ?
 H10A C106 H10B 109.5 . . ?
 H10A C106 H10C 109.5 . . ?
 H10B C106 H10C 109.5 . . ?
 C102 C107 H10D 109.5 . . ?
 C102 C107 H10E 109.5 . . ?
 C102 C107 H10F 109.5 . . ?
 H10D C107 H10E 109.5 . . ?
 H10D C107 H10F 109.5 . . ?
 H10E C107 H10F 109.5 . . ?
 C104 C108 H10G 109.5 . . ?
 C104 C108 H10H 109.5 . . ?
 C104 C108 H10I 109.5 . . ?
 H10G C108 H10H 109.5 . . ?
 H10G C108 H10I 109.5 . . ?
 H10H C108 H10I 109.5 . . ?
 C110 C109 C38 121.0(11) . . ?
 C110 C109 C114 121.4(11) . . ?
 C114 C109 C38 117.6(10) . . ?
 C109 C110 C111 120.4(15) . . ?
 C109 C110 C115 121.8(13) . . ?
 C111 C110 C115 117.8(15) . . ?
 C110 C111 H111 121.4 . . ?
 C112 C111 C110 117.2(16) . . ?
 C112 C111 H111 121.4 . . ?
 C111 C112 C113 123.2(15) . . ?
 C111 C112 C117 118.4(16) . . ?
 C113 C112 C117 118.4(16) . . ?
 C112 C113 H113 119.4 . . ?
 C112 C113 C114 121.1(13) . . ?
 C114 C113 H113 119.4 . . ?
 C109 C114 C116 122.5(10) . . ?
 C113 C114 C109 116.5(12) . . ?
 C113 C114 C116 121.0(11) . . ?
 C110 C115 H11A 109.5 . . ?
 C110 C115 H11B 109.5 . . ?
 C110 C115 H11C 109.5 . . ?
 H11A C115 H11B 109.5 . . ?
 H11A C115 H11C 109.5 . . ?
 H11B C115 H11C 109.5 . . ?
 C114 C116 H11D 109.5 . . ?
 C114 C116 H11E 109.5 . . ?
 C114 C116 H11F 109.5 . . ?
 H11D C116 H11E 109.5 . . ?
 H11D C116 H11F 109.5 . . ?
 H11E C116 H11F 109.5 . . ?
 C112 C117 H11G 109.5 . . ?
 C112 C117 H11H 109.5 . . ?
 C112 C117 H11I 109.5 . . ?
 H11G C117 H11H 109.5 . . ?
 H11G C117 H11I 109.5 . . ?
 H11H C117 H11I 109.5 . . ?
 C119 C118 C33 121.1(9) . . ?
 C119 C118 C123 118.7(10) . . ?
 C123 C118 C33 120.0(9) . . ?
 C118 C119 C126 120.2(11) . . ?
 C120 C119 C118 119.5(11) . . ?
 C120 C119 C126 120.2(11) . . ?
 C119 C120 H120 118.3 . . ?
 C121 C120 C119 123.3(11) . . ?
 C121 C120 H120 118.3 . . ?
 C120 C121 C122 117.6(11) . . ?
 C120 C121 C125 122.7(11) . . ?
 C122 C121 C125 119.7(11) . . ?
 C121 C122 H122 118.9 . . ?
 C121 C122 C123 122.2(12) . . ?
 C123 C122 H122 118.9 . . ?
 C118 C123 C124 120.0(10) . . ?
 C122 C123 C118 118.4(10) . . ?
 C122 C123 C124 121.6(11) . . ?
 C123 C124 H12A 109.5 . . ?
 C123 C124 H12B 109.5 . . ?
 C123 C124 H12C 109.5 . . ?
 H12A C124 H12B 109.5 . . ?
 H12A C124 H12C 109.5 . . ?
 H12B C124 H12C 109.5 . . ?
 C121 C125 H12D 109.5 . . ?
 C121 C125 H12E 109.5 . . ?
 C121 C125 H12F 109.5 . . ?
 H12D C125 H12E 109.5 . . ?
 H12D C125 H12F 109.5 . . ?
 H12E C125 H12F 109.5 . . ?
 C119 C126 H12G 109.5 . . ?
 C119 C126 H12H 109.5 . . ?
 C119 C126 H12I 109.5 . . ?
 H12G C126 H12H 109.5 . . ?
 H12G C126 H12I 109.5 . . ?
 H12H C126 H12I 109.5 . . ?
 C74 C127 C79 120.7(10) . . ?
 C78 C127 C74 119.3(13) . . ?
 C78 C127 C79 120.0(13) . . ?
 C57 C128 C61 121.1(13) . . ?
 C57 C128 C64 119.6(12) . . ?
 C61 C128 C64 119.2(13) . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  2.522
_oxdiff_exptl_absorpt_empirical_full_min  0.558
