data_exp_2202
_audit_creation_date               2022-06-01
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety           'C64 H52 Br2 N6 Pd2, 2(C H Cl3)'
_chemical_formula_sum              'C66 H54 Br2 Cl6 N6 Pd2'
_chemical_formula_weight           1516.47
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C50 H100 N6 Pd2 Br1'
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'
 'Br' 'Br' -0.6763 1.2805
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.3639 0.7018 '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        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     15.5587(8)
_cell_length_b                     13.3543(5)
_cell_length_c                     15.9419(8)
_cell_angle_alpha                  90
_cell_angle_beta                   113.942(6)
_cell_angle_gamma                  90
_cell_volume                       3027.3(3)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      5639
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        71.6700
_cell_measurement_theta_min        3.1150
_shelx_estimated_absorpt_T_max     0.462
_shelx_estimated_absorpt_T_min     0.170
_exptl_absorpt_coefficient_mu      9.146
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.11955
_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      1.664
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               1512
_exptl_crystal_size_max            0.3
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.1
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0424
_diffrn_reflns_av_unetI/netI       0.0521
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         18
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         18
_diffrn_reflns_limit_l_min         -18
_diffrn_reflns_number              9953
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          66.589
_diffrn_reflns_theta_max           66.589
_diffrn_reflns_theta_min           3.108
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.01(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8.0697
_diffrn_detector_type              EosS2
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -32.00  51.00   1.00    1.70    --   34.61 -57.00  60.00   83
  2  ω     30.00  81.00   1.00    1.70    --   34.61-125.00  60.00   51
  3  ω     52.00  79.00   1.00    6.82    --  105.88 -94.00 -60.00   27
  4  ω     68.00 108.00   1.00    6.82    --  105.88 -94.00   0.00   40
  5  ω     93.00 127.00   1.00    6.82    --  105.88 -30.00  30.00   34
  6  ω    100.00 173.00   1.00    6.82    --  105.88  45.00 -90.00   73
  7  ω     61.00 104.00   1.00    1.70    --   34.61  38.00 120.00   43
  8  ω     43.00  79.00   1.00    6.82    --  105.88 -30.00  30.00   36
  9  ω     36.00 127.00   1.00    6.82    --  105.88 -30.00 120.00   91
 10  ω     38.00 132.00   1.00    6.82    --  105.88 -77.00 120.00   94
 11  ω     37.00 104.00   1.00    6.82    --  105.88 -94.00 -90.00   67
 12  ω     16.00  98.00   1.00    1.70    --   34.61  38.00-150.00   82
 13  ω    -84.00 -28.00   1.00    1.70    --  -34.61 -57.00-150.00   56
;
_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        -0.1072364000
_diffrn_orient_matrix_UB_12        -0.0137646000
_diffrn_orient_matrix_UB_13        -0.0474968000
_diffrn_orient_matrix_UB_21        0.0061645000
_diffrn_orient_matrix_UB_22        -0.0046676000
_diffrn_orient_matrix_UB_23        -0.0940768000
_diffrn_orient_matrix_UB_31        0.0128190000
_diffrn_orient_matrix_UB_32        -0.1144747000
_diffrn_orient_matrix_UB_33        0.0095816000
_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                  4847
_reflns_number_total               5338
_reflns_odcompleteness_completeness  99.88
_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.
 
 _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 (Sheldrick, 2015)'
_refine_diff_density_max           2.452
_refine_diff_density_min           -1.613
_refine_diff_density_rms           0.170
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.013
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       386
_refine_ls_number_reflns           5338
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0695
_refine_ls_R_factor_gt             0.0648
_refine_ls_restrained_S_all        1.013
_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)+(0.1094P)²+13.4619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1691
_refine_ls_wR_factor_ref           0.1751
_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. Others
 Sof(C33A)=Sof(H33A)=1-FVAR(1)
 Sof(C33)=Sof(H33)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C33(H33), C33A(H33A)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C8(H8), C12(H12), C17(H17), C19(H19), C26(H26), C28(H28)
3.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_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 -0.12143(3) 0.56337(3) 0.47439(3) 0.02141(17) Uani 1 1 d . . . . .
 Br1 Br 0.33168(6) 0.46291(6) 0.91991(5) 0.0449(2) Uani 1 1 d . . . . .
 N1 N 0.2253(3) 0.4110(4) 0.6463(4) 0.0264(10) Uani 1 1 d . . . . .
 N2 N 0.1993(3) 0.3758(4) 0.4620(3) 0.0256(10) Uani 1 1 d . . . . .
 N3 N 0.0148(3) 0.4643(3) 0.4049(3) 0.0231(10) Uani 1 1 d . . . . .
 C1 C 0.2161(4) 0.4423(4) 0.7227(4) 0.0247(12) Uani 1 1 d . . . . .
 C2 C 0.3044(5) 0.4250(5) 0.7983(4) 0.0284(13) Uani 1 1 d . . . . .
 C3 C 0.3638(4) 0.3820(4) 0.7653(4) 0.0287(12) Uani 1 1 d . . . . .
 H3 H 0.425341 0.361537 0.799592 0.034 Uiso 1 1 calc R . . . .
 C4 C 0.3134(4) 0.3742(4) 0.6678(4) 0.0258(12) Uani 1 1 d . . . . .
 C5 C 0.3430(4) 0.3385(4) 0.6015(4) 0.0295(13) Uani 1 1 d . . . . .
 C6 C 0.2899(4) 0.3389(5) 0.5065(4) 0.0272(12) Uani 1 1 d . . . . .
 C7 C 0.3189(4) 0.3006(5) 0.4386(4) 0.0322(13) Uani 1 1 d . . . . .
 H7 H 0.376318 0.270504 0.449227 0.039 Uiso 1 1 calc R . . . .
 C8 C 0.2466(4) 0.3164(5) 0.3550(4) 0.0304(13) Uani 1 1 d . . . . .
 H8 H 0.245874 0.299243 0.298135 0.036 Uiso 1 1 calc R . . . .
 C9 C 0.1730(4) 0.3637(4) 0.3710(4) 0.0259(12) Uani 1 1 d . . . . .
 C10 C 0.0830(4) 0.3952(4) 0.3013(4) 0.0254(12) Uani 1 1 d . . . . .
 C11 C 0.0124(4) 0.4399(4) 0.3175(4) 0.0214(11) Uani 1 1 d . . . . .
 C12 C -0.0781(4) 0.4727(4) 0.2483(4) 0.0244(11) Uani 1 1 d . . . . .
 H12 H -0.098962 0.466957 0.184952 0.029 Uiso 1 1 calc R . . . .
 C13 C -0.1259(4) 0.5134(4) 0.2953(4) 0.0242(11) Uani 1 1 d . . . . .
 C14 C -0.0645(4) 0.5069(4) 0.3944(4) 0.0246(11) Uani 1 1 d . . . . .
 C15 C 0.0711(4) 0.3780(4) 0.2040(4) 0.0256(12) Uani 1 1 d . . . . .
 C16 C 0.0171(4) 0.2977(5) 0.1527(4) 0.0307(13) Uani 1 1 d . . . . .
 C17 C 0.0093(5) 0.2840(5) 0.0632(4) 0.0347(14) Uani 1 1 d . . . . .
 H17 H -0.026411 0.230886 0.028875 0.042 Uiso 1 1 calc R . . . .
 C18 C 0.0534(5) 0.3474(5) 0.0238(5) 0.0399(16) Uani 1 1 d . . . . .
 C19 C 0.1070(5) 0.4267(5) 0.0765(5) 0.0372(15) Uani 1 1 d . . . . .
 H19 H 0.137166 0.469775 0.051397 0.045 Uiso 1 1 calc R . . . .
 C20 C 0.1159(5) 0.4421(5) 0.1656(5) 0.0310(13) Uani 1 1 d . . . . .
 C21 C 0.1755(5) 0.5293(6) 0.2193(5) 0.0437(16) Uani 1 1 d . . . . .
 H21A H 0.140877 0.567405 0.246206 0.066 Uiso 1 1 calc GR . . . .
 H21B H 0.191290 0.571309 0.178781 0.066 Uiso 1 1 calc GR . . . .
 H21C H 0.232152 0.504193 0.266942 0.066 Uiso 1 1 calc GR . . . .
 C22 C 0.0463(7) 0.3324(6) -0.0722(5) 0.056(2) Uani 1 1 d . . . . .
 H22A H 0.108332 0.327746 -0.071180 0.084 Uiso 1 1 calc GR . . . .
 H22B H 0.013825 0.388175 -0.109737 0.084 Uiso 1 1 calc GR . . . .
 H22C H 0.012331 0.271854 -0.097150 0.084 Uiso 1 1 calc GR . . . .
 C23 C -0.0310(5) 0.2247(5) 0.1911(5) 0.0374(15) Uani 1 1 d . . . . .
 H23A H 0.014735 0.194200 0.245394 0.056 Uiso 1 1 calc GR . . . .
 H23B H -0.061531 0.173877 0.146250 0.056 Uiso 1 1 calc GR . . . .
 H23C H -0.076928 0.259328 0.206164 0.056 Uiso 1 1 calc GR . . . .
 C24 C 0.4416(4) 0.2996(5) 0.6367(4) 0.0295(13) Uani 1 1 d . . . . .
 C25 C 0.5140(5) 0.3648(5) 0.6435(4) 0.0345(14) Uani 1 1 d . . . . .
 C26 C 0.6055(5) 0.3289(6) 0.6777(5) 0.0392(16) Uani 1 1 d . . . . .
 H26 H 0.653969 0.372087 0.681946 0.047 Uiso 1 1 calc R . . . .
 C27 C 0.6267(5) 0.2296(6) 0.7059(5) 0.0411(16) Uani 1 1 d . . . . .
 C28 C 0.5534(5) 0.1656(5) 0.6963(5) 0.0381(15) Uani 1 1 d . . . . .
 H28 H 0.566249 0.098569 0.712254 0.046 Uiso 1 1 calc R . . . .
 C29 C 0.4614(5) 0.1989(5) 0.6637(4) 0.0333(13) Uani 1 1 d . . . . .
 C30 C 0.3832(5) 0.1289(5) 0.6578(5) 0.0431(16) Uani 1 1 d . . . . .
 H30A H 0.360988 0.146403 0.703883 0.065 Uiso 1 1 calc GR . . . .
 H30B H 0.406351 0.061338 0.667488 0.065 Uiso 1 1 calc GR . . . .
 H30C H 0.332584 0.134263 0.598163 0.065 Uiso 1 1 calc GR . . . .
 C31 C 0.4948(5) 0.4726(5) 0.6150(5) 0.0418(16) Uani 1 1 d . . . . .
 H31A H 0.451102 0.476163 0.551882 0.063 Uiso 1 1 calc GR . . . .
 H31B H 0.552470 0.504954 0.622241 0.063 Uiso 1 1 calc GR . . . .
 H31C H 0.468492 0.505619 0.652688 0.063 Uiso 1 1 calc GR . . . .
 C32 C 0.7270(5) 0.1925(7) 0.7454(7) 0.061(2) Uani 1 1 d . . . . .
 H32A H 0.737969 0.152743 0.799004 0.091 Uiso 1 1 calc GR . . . .
 H32B H 0.769150 0.248642 0.761925 0.091 Uiso 1 1 calc GR . . . .
 H32C H 0.737635 0.152487 0.700536 0.091 Uiso 1 1 calc GR . . . .
 Cl0A Cl 0.2531(3) 0.8338(2) 0.5356(3) 0.0962(11) Uani 1 1 d . . . . .
 Cl1 Cl 0.27009(18) 0.6245(2) 0.4993(3) 0.0944(11) Uani 1 1 d . . . . .
 Cl2 Cl 0.4313(2) 0.7482(3) 0.5577(3) 0.1263(17) Uani 1 1 d . . . . .
 C33 C 0.3318(16) 0.7440(17) 0.5688(17) 0.070(7) Uani 0.48(3) 1 d . . P A 1
 H33 H 0.346377 0.730537 0.633604 0.084 Uiso 0.48(3) 1 calc R . P A 1
 C33A C 0.3186(11) 0.7386(11) 0.4980(12) 0.045(5) Uani 0.52(3) 1 d . . P A 2
 H33A H 0.306680 0.753525 0.434022 0.054 Uiso 0.52(3) 1 calc R . P A 2


_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 N1 1.976(5) 3_566 ?
 Pd1 N2 2.038(5) 3_566 ?
 Pd1 N3 2.000(5) 3_566 ?
 Pd1 C14 1.973(6) . ?
 Br1 C2 1.878(6) . ?
 N1 C1 1.349(8) . ?
 N1 C4 1.363(8) . ?
 N2 C6 1.386(8) . ?
 N2 C9 1.348(8) . ?
 N3 C11 1.416(7) . ?
 N3 C14 1.307(8) . ?
 C1 C2 1.431(8) . ?
 C1 C13 1.439(8) 3_566 ?
 C2 C3 1.362(9) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.433(8) . ?
 C4 C5 1.396(9) . ?
 C5 C6 1.401(9) . ?
 C5 C24 1.498(8) . ?
 C6 C7 1.426(8) . ?
 C7 H7 0.9300 . ?
 C7 C8 1.367(9) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.420(8) . ?
 C9 C10 1.452(8) . ?
 C10 C11 1.364(8) . ?
 C10 C15 1.503(8) . ?
 C11 C12 1.460(8) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.366(8) . ?
 C13 C14 1.481(8) . ?
 C15 C16 1.402(9) . ?
 C15 C20 1.393(9) . ?
 C16 C17 1.394(9) . ?
 C16 C23 1.502(10) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.389(11) . ?
 C18 C19 1.398(11) . ?
 C18 C22 1.504(9) . ?
 C19 H19 0.9300 . ?
 C19 C20 1.385(10) . ?
 C20 C21 1.518(9) . ?
 C21 H21A 0.9600 . ?
 C21 H21B 0.9600 . ?
 C21 H21C 0.9600 . ?
 C22 H22A 0.9600 . ?
 C22 H22B 0.9600 . ?
 C22 H22C 0.9600 . ?
 C23 H23A 0.9600 . ?
 C23 H23B 0.9600 . ?
 C23 H23C 0.9600 . ?
 C24 C25 1.392(10) . ?
 C24 C29 1.407(9) . ?
 C25 C26 1.388(9) . ?
 C25 C31 1.503(10) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.396(11) . ?
 C27 C28 1.384(11) . ?
 C27 C32 1.510(9) . ?
 C28 H28 0.9300 . ?
 C28 C29 1.383(9) . ?
 C29 C30 1.505(10) . ?
 C30 H30A 0.9600 . ?
 C30 H30B 0.9600 . ?
 C30 H30C 0.9600 . ?
 C31 H31A 0.9600 . ?
 C31 H31B 0.9600 . ?
 C31 H31C 0.9600 . ?
 C32 H32A 0.9600 . ?
 C32 H32B 0.9600 . ?
 C32 H32C 0.9600 . ?
 Cl0A C33 1.64(2) . ?
 Cl0A C33A 1.874(15) . ?
 Cl1 C33 1.96(2) . ?
 Cl1 C33A 1.704(15) . ?
 Cl2 C33 1.63(2) . ?
 Cl2 C33A 1.626(16) . ?
 C33 H33 0.9800 . ?
 C33A H33A 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
 N1 Pd1 N2 89.9(2) 3_566 3_566 ?
 N1 Pd1 N3 178.7(2) 3_566 3_566 ?
 N3 Pd1 N2 91.32(19) 3_566 3_566 ?
 C14 Pd1 N1 80.9(2) . 3_566 ?
 C14 Pd1 N2 170.8(2) . 3_566 ?
 C14 Pd1 N3 97.9(2) . 3_566 ?
 C1 N1 Pd1 118.7(4) . 3_566 ?
 C1 N1 C4 110.4(5) . . ?
 C4 N1 Pd1 130.5(4) . 3_566 ?
 C6 N2 Pd1 125.0(4) . 3_566 ?
 C9 N2 Pd1 126.9(4) . 3_566 ?
 C9 N2 C6 108.1(5) . . ?
 C11 N3 Pd1 125.8(4) . 3_566 ?
 C14 N3 Pd1 125.0(4) . 3_566 ?
 C14 N3 C11 109.2(5) . . ?
 N1 C1 C2 107.0(5) . . ?
 N1 C1 C13 113.5(5) . 3_566 ?
 C2 C1 C13 139.3(6) . 3_566 ?
 C1 C2 Br1 124.3(5) . . ?
 C3 C2 Br1 127.4(5) . . ?
 C3 C2 C1 108.3(5) . . ?
 C2 C3 H3 126.6 . . ?
 C2 C3 C4 106.9(5) . . ?
 C4 C3 H3 126.6 . . ?
 N1 C4 C3 107.4(5) . . ?
 N1 C4 C5 122.7(5) . . ?
 C5 C4 C3 130.0(5) . . ?
 C4 C5 C6 125.9(5) . . ?
 C4 C5 C24 115.9(5) . . ?
 C6 C5 C24 118.1(5) . . ?
 N2 C6 C5 125.8(5) . . ?
 N2 C6 C7 108.0(5) . . ?
 C5 C6 C7 126.2(6) . . ?
 C6 C7 H7 126.4 . . ?
 C8 C7 C6 107.2(5) . . ?
 C8 C7 H7 126.4 . . ?
 C7 C8 H8 126.3 . . ?
 C7 C8 C9 107.4(5) . . ?
 C9 C8 H8 126.3 . . ?
 N2 C9 C8 109.4(5) . . ?
 N2 C9 C10 124.5(5) . . ?
 C8 C9 C10 126.1(5) . . ?
 C9 C10 C15 114.9(5) . . ?
 C11 C10 C9 125.6(5) . . ?
 C11 C10 C15 119.4(5) . . ?
 N3 C11 C12 107.9(5) . . ?
 C10 C11 N3 125.8(5) . . ?
 C10 C11 C12 126.3(5) . . ?
 C11 C12 H12 126.9 . . ?
 C13 C12 C11 106.1(5) . . ?
 C13 C12 H12 126.9 . . ?
 C1 C13 C14 113.1(5) 3_566 . ?
 C12 C13 C1 139.3(6) . 3_566 ?
 C12 C13 C14 107.6(5) . . ?
 N3 C14 Pd1 137.1(4) . . ?
 N3 C14 C13 109.2(5) . . ?
 C13 C14 Pd1 113.7(4) . . ?
 C16 C15 C10 120.8(5) . . ?
 C20 C15 C10 119.1(5) . . ?
 C20 C15 C16 120.2(6) . . ?
 C15 C16 C23 122.6(6) . . ?
 C17 C16 C15 118.6(6) . . ?
 C17 C16 C23 118.8(6) . . ?
 C16 C17 H17 119.0 . . ?
 C18 C17 C16 121.9(6) . . ?
 C18 C17 H17 119.0 . . ?
 C17 C18 C19 118.3(6) . . ?
 C17 C18 C22 122.3(7) . . ?
 C19 C18 C22 119.5(7) . . ?
 C18 C19 H19 119.5 . . ?
 C20 C19 C18 121.0(7) . . ?
 C20 C19 H19 119.5 . . ?
 C15 C20 C21 121.6(6) . . ?
 C19 C20 C15 120.0(6) . . ?
 C19 C20 C21 118.4(6) . . ?
 C20 C21 H21A 109.5 . . ?
 C20 C21 H21B 109.5 . . ?
 C20 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C18 C22 H22A 109.5 . . ?
 C18 C22 H22B 109.5 . . ?
 C18 C22 H22C 109.5 . . ?
 H22A C22 H22B 109.5 . . ?
 H22A C22 H22C 109.5 . . ?
 H22B C22 H22C 109.5 . . ?
 C16 C23 H23A 109.5 . . ?
 C16 C23 H23B 109.5 . . ?
 C16 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C25 C24 C5 119.0(6) . . ?
 C25 C24 C29 120.3(6) . . ?
 C29 C24 C5 120.7(6) . . ?
 C24 C25 C31 121.4(6) . . ?
 C26 C25 C24 118.9(6) . . ?
 C26 C25 C31 119.7(6) . . ?
 C25 C26 H26 119.2 . . ?
 C25 C26 C27 121.7(7) . . ?
 C27 C26 H26 119.2 . . ?
 C26 C27 C32 121.0(7) . . ?
 C28 C27 C26 118.3(6) . . ?
 C28 C27 C32 120.6(7) . . ?
 C27 C28 H28 119.2 . . ?
 C29 C28 C27 121.6(7) . . ?
 C29 C28 H28 119.2 . . ?
 C24 C29 C30 120.2(6) . . ?
 C28 C29 C24 119.1(6) . . ?
 C28 C29 C30 120.7(6) . . ?
 C29 C30 H30A 109.5 . . ?
 C29 C30 H30B 109.5 . . ?
 C29 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C25 C31 H31A 109.5 . . ?
 C25 C31 H31B 109.5 . . ?
 C25 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C27 C32 H32A 109.5 . . ?
 C27 C32 H32B 109.5 . . ?
 C27 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 Cl0A C33 Cl1 106.4(11) . . ?
 Cl0A C33 H33 107.3 . . ?
 Cl1 C33 H33 107.3 . . ?
 Cl2 C33 Cl0A 123.9(15) . . ?
 Cl2 C33 Cl1 103.7(13) . . ?
 Cl2 C33 H33 107.3 . . ?
 Cl0A C33A H33A 107.3 . . ?
 Cl1 C33A Cl0A 107.6(8) . . ?
 Cl1 C33A H33A 107.3 . . ?
 Cl2 C33A Cl0A 110.8(9) . . ?
 Cl2 C33A Cl1 116.2(10) . . ?
 Cl2 C33A H33A 107.3 . . ?

_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  4.126
_oxdiff_exptl_absorpt_empirical_full_min  0.639
