# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ld181210Sb2
_database_code_depnum_ccdc_archive 'CCDC 1908185'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H33 F6 N2 O4 Pd2 Sb, C6 H6'
_chemical_formula_sum            'C32 H39 F6 N2 O4 Pd2 Sb'
_chemical_formula_weight         964.20

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   18.3001(13)
_cell_length_b                   10.5868(6)
_cell_length_c                   18.5561(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3595.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    31675
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.9

_exptl_crystal_description       block
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_F_000             1896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    1.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4659
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.625
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            30074
_diffrn_reflns_av_unetI/netI     0.1340
_diffrn_reflns_av_R_equivalents  0.1584
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.479
_diffrn_reflns_theta_max         27.901
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             8073
_reflns_number_gt                5563
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.887
_reflns_Friedel_fraction_max     0.913
_reflns_Friedel_fraction_full    0.949

_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.
;

_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0227P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1991 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.01(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8073
_refine_ls_number_parameters     473
_refine_ls_number_restraints     551
_refine_ls_R_factor_all          0.1108
_refine_ls_R_factor_gt           0.0577
_refine_ls_wR_factor_ref         0.0856
_refine_ls_wR_factor_gt          0.0745
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Sb1 Sb 0.39295(4) 0.81576(6) 0.47756(4) 0.01731(16) Uani 1 1 d . U . . .
Pd1 Pd 0.30659(5) 0.78085(8) 0.36734(4) 0.0228(2) Uani 1 1 d . U . . .
O1 O 0.3241(5) 0.9681(7) 0.3284(4) 0.030(2) Uani 1 1 d . U . . .
N1 N 0.5057(5) 0.7514(7) 0.4235(4) 0.0162(19) Uani 1 1 d . U . . .
C1 C 0.4518(6) 0.9809(9) 0.4577(5) 0.015(2) Uani 1 1 d . U . . .
O2 O 0.2094(5) 1.0270(8) 0.3476(6) 0.054(3) Uani 1 1 d . U . . .
N2 N 0.3199(6) 0.9868(8) 0.5211(5) 0.021(2) Uani 1 1 d . U . . .
Pd2 Pd 0.41885(5) 0.72765(8) 0.60662(4) 0.0226(2) Uani 1 1 d . U . . .
C2 C 0.5187(7) 0.9736(9) 0.4236(5) 0.016(2) Uani 1 1 d . U . . .
O3 O 0.3230(5) 0.6234(7) 0.6176(4) 0.032(2) Uani 1 1 d . U . . .
C3 C 0.5556(7) 1.0830(9) 0.4058(6) 0.023(3) Uani 1 1 d . U . . .
H3 H 0.6012 1.0785 0.3814 0.028 Uiso 1 1 calc R U . . .
C4 C 0.5263(7) 1.1979(10) 0.4234(6) 0.027(3) Uani 1 1 d . U . . .
H4 H 0.5525 1.2729 0.4122 0.032 Uiso 1 1 calc R U . . .
O4 O 0.3555(5) 0.4665(9) 0.5431(5) 0.044(3) Uani 1 1 d . U . . .
C5 C 0.4594(7) 1.2063(10) 0.4571(6) 0.025(3) Uani 1 1 d . U . . .
H5 H 0.4394 1.2865 0.4687 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4214(6) 1.0964(9) 0.4741(7) 0.020(2) Uani 1 1 d . U . . .
C8 C 0.5309(7) 0.6188(10) 0.4100(6) 0.024(3) Uani 1 1 d . U . . .
C7 C 0.5457(7) 0.8469(9) 0.4078(6) 0.021(3) Uani 1 1 d . U . . .
H7 H 0.5922 0.8355 0.3862 0.025 Uiso 1 1 calc R U . . .
C9 C 0.5370(7) 0.5553(9) 0.4867(6) 0.027(3) Uani 1 1 d . U . . .
H9A H 0.5529 0.4674 0.4812 0.040 Uiso 1 1 calc R U . . .
H9B H 0.4893 0.5575 0.5105 0.040 Uiso 1 1 calc R U . . .
H9C H 0.5728 0.6015 0.5158 0.040 Uiso 1 1 calc R U . . .
C10 C 0.4718(8) 0.5545(9) 0.3644(7) 0.038(3) Uani 1 1 d . U . . .
H10A H 0.4667 0.5991 0.3184 0.057 Uiso 1 1 calc R U . . .
H10B H 0.4251 0.5567 0.3903 0.057 Uiso 1 1 calc R U . . .
H10C H 0.4857 0.4665 0.3554 0.057 Uiso 1 1 calc R U . . .
C11 C 0.6028(7) 0.6094(10) 0.3714(7) 0.038(3) Uani 1 1 d . U . . .
H11A H 0.6162 0.5203 0.3658 0.057 Uiso 1 1 calc R U . . .
H11B H 0.6405 0.6530 0.3994 0.057 Uiso 1 1 calc R U . . .
H11C H 0.5986 0.6487 0.3237 0.057 Uiso 1 1 calc R U . . .
C12 C 0.3512(7) 1.0938(10) 0.5087(5) 0.022(3) Uani 1 1 d . U . . .
H12 H 0.3280 1.1704 0.5225 0.026 Uiso 1 1 calc R U . . .
C13 C 0.2499(7) 0.9757(11) 0.5595(6) 0.032(3) Uani 1 1 d D U . . .
C17 C 0.2701(8) 0.5960(11) 0.3979(7) 0.038(4) Uani 1 1 d . U . . .
H17A H 0.2468 0.6535 0.4298 0.046 Uiso 1 1 calc R U . . .
H17B H 0.2984 0.5283 0.4166 0.046 Uiso 1 1 calc R U . . .
C18 C 0.2626(9) 0.6112(13) 0.3228(8) 0.049(4) Uani 1 1 d . U . . .
H18 H 0.2859 0.5535 0.2911 0.059 Uiso 1 1 calc R U . . .
C19 C 0.2213(9) 0.7097(12) 0.2947(7) 0.047(4) Uani 1 1 d . U . . .
H19A H 0.1978 0.7677 0.3261 0.057 Uiso 1 1 calc R U . . .
H19B H 0.2166 0.7191 0.2440 0.057 Uiso 1 1 calc R U . . .
C20 C 0.2704(8) 1.0441(11) 0.3298(6) 0.028(3) Uani 1 1 d . U . . .
C21 C 0.2909(7) 1.1769(12) 0.3068(7) 0.041(3) Uani 1 1 d D U . . .
C25 C 0.3156(8) 0.5235(11) 0.5835(7) 0.031(3) Uani 1 1 d . U . . .
C27 C 0.4775(9) 0.3081(14) 0.6473(7) 0.047(4) Uani 1 1 d . U . . .
H27 H 0.4613 0.3726 0.6155 0.057 Uiso 1 1 calc R U . . .
C28 C 0.4274(9) 0.2317(13) 0.6788(7) 0.048(3) Uani 1 1 d . U . . .
H28 H 0.3768 0.2443 0.6702 0.058 Uiso 1 1 calc R U . . .
C29 C 0.4505(9) 0.1353(13) 0.7235(7) 0.044(3) Uani 1 1 d . U . . .
H29 H 0.4161 0.0809 0.7460 0.053 Uiso 1 1 calc R U . . .
C30 C 0.5244(9) 0.1195(14) 0.7349(7) 0.049(4) Uani 1 1 d . U . . .
H30 H 0.5412 0.0529 0.7650 0.059 Uiso 1 1 calc R U . . .
C31 C 0.5726(9) 0.1973(13) 0.7037(7) 0.049(3) Uani 1 1 d . U . . .
H31 H 0.6234 0.1854 0.7117 0.058 Uiso 1 1 calc R U . . .
C32 C 0.5491(10) 0.2949(14) 0.6599(8) 0.056(4) Uani 1 1 d . U . . .
H32 H 0.5832 0.3518 0.6391 0.067 Uiso 1 1 calc R U . . .
C26 C 0.2427(8) 0.4658(13) 0.5931(8) 0.058(3) Uani 1 1 d D U . . .
C14 C 0.267(11) 0.946(13) 0.639(3) 0.043(6) Uani 0.23(6) 1 d D U P A 1
H14A H 0.2979 0.8711 0.6420 0.065 Uiso 0.23(6) 1 calc R U P A 1
H14B H 0.2209 0.9302 0.6649 0.065 Uiso 0.23(6) 1 calc R U P A 1
H14C H 0.2919 1.0182 0.6611 0.065 Uiso 0.23(6) 1 calc R U P A 1
C15 C 0.208(10) 0.858(12) 0.540(10) 0.033(5) Uani 0.23(6) 1 d D U P A 1
H15A H 0.1552 0.8748 0.5436 0.049 Uiso 0.23(6) 1 calc R U P A 1
H15B H 0.2211 0.7893 0.5725 0.049 Uiso 0.23(6) 1 calc R U P A 1
H15C H 0.2195 0.8336 0.4901 0.049 Uiso 0.23(6) 1 calc R U P A 1
C16 C 0.213(5) 1.102(5) 0.569(6) 0.045(5) Uani 0.23(6) 1 d D U P A 1
H16A H 0.2456 1.1601 0.5945 0.068 Uiso 0.23(6) 1 calc R U P A 1
H16B H 0.1680 1.0907 0.5980 0.068 Uiso 0.23(6) 1 calc R U P A 1
H16C H 0.1999 1.1371 0.5222 0.068 Uiso 0.23(6) 1 calc R U P A 1
C22 C 0.513(2) 0.833(3) 0.6155(15) 0.040(4) Uani 0.59(2) 1 d D U P B 1
H22A H 0.4722 0.8873 0.6172 0.048 Uiso 0.59(2) 1 calc R U P B 1
H22B H 0.5505 0.8459 0.5807 0.048 Uiso 0.59(2) 1 calc R U P B 1
C23 C 0.5189(14) 0.732(2) 0.6645(11) 0.044(5) Uani 0.59(2) 1 d D U P B 1
H23 H 0.5602 0.6775 0.6626 0.053 Uiso 0.59(2) 1 calc R U P B 1
C24 C 0.4648(17) 0.711(3) 0.7158(15) 0.048(5) Uani 0.59(2) 1 d D U P B 1
H24A H 0.4235 0.7655 0.7179 0.057 Uiso 0.59(2) 1 calc R U P B 1
H24B H 0.4691 0.6429 0.7487 0.057 Uiso 0.59(2) 1 calc R U P B 1
F1 F 0.2309(14) 1.234(4) 0.2776(16) 0.049(4) Uani 0.49(3) 1 d D U P C 1
F2 F 0.3169(14) 1.2510(17) 0.3586(12) 0.052(3) Uani 0.49(3) 1 d D U P C 1
F3 F 0.3387(12) 1.1750(16) 0.2507(12) 0.047(3) Uani 0.49(3) 1 d D U P C 1
F4 F 0.2274(14) 0.407(2) 0.6522(11) 0.081(4) Uani 0.519(11) 1 d D U P D 1
F5 F 0.2287(14) 0.380(2) 0.5339(13) 0.081(5) Uani 0.519(11) 1 d D U P D 1
F6 F 0.1872(9) 0.5461(15) 0.5749(11) 0.072(4) Uani 0.519(11) 1 d D U P D 1
F1A F 0.2479(14) 1.231(4) 0.2596(14) 0.049(4) Uani 0.51(3) 1 d D U P C 2
F2A F 0.3589(10) 1.1943(18) 0.2834(14) 0.052(3) Uani 0.51(3) 1 d D U P C 2
F3A F 0.2871(13) 1.2496(16) 0.3702(10) 0.047(3) Uani 0.51(3) 1 d D U P C 2
F6A F 0.2001(11) 0.5225(18) 0.6463(12) 0.072(4) Uani 0.481(11) 1 d D U P D 2
F5A F 0.2033(14) 0.425(3) 0.5389(15) 0.081(5) Uani 0.481(11) 1 d D U P D 2
F4A F 0.2505(14) 0.3475(18) 0.6291(12) 0.081(4) Uani 0.481(11) 1 d D U P D 2
C14A C 0.268(3) 0.972(3) 0.6424(11) 0.043(6) Uani 0.77(6) 1 d D U P A 2
H14D H 0.3051 0.9078 0.6517 0.065 Uiso 0.77(6) 1 calc R U P A 2
H14E H 0.2234 0.9519 0.6695 0.065 Uiso 0.77(6) 1 calc R U P A 2
H14F H 0.2862 1.0550 0.6576 0.065 Uiso 0.77(6) 1 calc R U P A 2
C15A C 0.215(3) 0.855(4) 0.533(3) 0.033(5) Uani 0.77(6) 1 d D U P A 2
H15D H 0.2010 0.8641 0.4826 0.049 Uiso 0.77(6) 1 calc R U P A 2
H15E H 0.1718 0.8360 0.5623 0.049 Uiso 0.77(6) 1 calc R U P A 2
H15F H 0.2503 0.7851 0.5378 0.049 Uiso 0.77(6) 1 calc R U P A 2
C16A C 0.1983(13) 1.082(2) 0.5371(18) 0.045(5) Uani 0.77(6) 1 d D U P A 2
H16D H 0.1988 1.0907 0.4845 0.068 Uiso 0.77(6) 1 calc R U P A 2
H16E H 0.2144 1.1616 0.5591 0.068 Uiso 0.77(6) 1 calc R U P A 2
H16F H 0.1486 1.0625 0.5533 0.068 Uiso 0.77(6) 1 calc R U P A 2
C23A C 0.487(2) 0.787(3) 0.6972(17) 0.044(5) Uani 0.41(2) 1 d D U P B 2
H23A H 0.4819 0.8462 0.7352 0.053 Uiso 0.41(2) 1 calc R U P B 2
C24A C 0.469(3) 0.661(3) 0.708(2) 0.048(5) Uani 0.41(2) 1 d D U P B 2
H24C H 0.4747 0.6016 0.6705 0.057 Uiso 0.41(2) 1 calc R U P B 2
H24D H 0.4516 0.6345 0.7542 0.057 Uiso 0.41(2) 1 calc R U P B 2
C22A C 0.513(3) 0.827(6) 0.631(2) 0.040(4) Uani 0.41(2) 1 d D U P B 2
H22C H 0.5188 0.7680 0.5924 0.048 Uiso 0.41(2) 1 calc R U P B 2
H22D H 0.5255 0.9132 0.6233 0.048 Uiso 0.41(2) 1 calc R U P B 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
Sb1 C1 2.086(10) . ?
Sb1 N2 2.391(9) . ?
Sb1 N1 2.394(9) . ?
Sb1 Pd1 2.6109(11) . ?
Sb1 Pd2 2.6135(11) . ?
Pd1 O1 2.134(7) . ?
Pd1 C18 2.135(13) . ?
Pd1 C17 2.144(12) . ?
Pd1 C19 2.196(13) . ?
O1 C20 1.270(15) . ?
N1 C7 1.281(12) . ?
N1 C8 1.498(12) . ?
C1 C6 1.377(13) . ?
C1 C2 1.380(15) . ?
O2 C20 1.177(15) . ?
N2 C12 1.291(13) . ?
N2 C13 1.470(15) . ?
Pd2 C22 2.06(4) . ?
Pd2 O3 2.082(8) . ?
Pd2 C22A 2.07(6) . ?
Pd2 C23 2.12(2) . ?
Pd2 C23A 2.19(3) . ?
Pd2 C24 2.20(3) . ?
Pd2 C24A 2.22(4) . ?
C2 C3 1.381(14) . ?
C2 C7 1.459(14) . ?
O3 C25 1.239(13) . ?
C3 C4 1.369(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(16) . ?
C4 H4 0.9500 . ?
O4 C25 1.208(15) . ?
C5 C6 1.392(14) . ?
C5 H5 0.9500 . ?
C6 C12 1.436(15) . ?
C8 C11 1.502(17) . ?
C8 C10 1.532(17) . ?
C8 C9 1.578(15) . ?
C7 H7 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 0.9500 . ?
C13 C15A 1.513(18) . ?
C13 C16 1.51(3) . ?
C13 C15 1.51(3) . ?
C13 C16A 1.529(18) . ?
C13 C14 1.54(3) . ?
C13 C14A 1.572(18) . ?
C17 C18 1.410(16) . ?
C17 H17A 0.9500 . ?
C17 H17B 0.9500 . ?
C18 C19 1.389(19) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9500 . ?
C19 H19B 0.9500 . ?
C20 C21 1.517(17) . ?
C21 F1A 1.31(2) . ?
C21 F2 1.329(19) . ?
C21 F2A 1.330(18) . ?
C21 F3 1.359(18) . ?
C21 F1 1.37(2) . ?
C21 F3A 1.407(19) . ?
C25 C26 1.478(18) . ?
C27 C32 1.34(2) . ?
C27 C28 1.35(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(18) . ?
C28 H28 0.9500 . ?
C29 C30 1.38(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.338(19) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(19) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C26 F4 1.288(18) . ?
C26 F5A 1.31(2) . ?
C26 F6 1.367(18) . ?
C26 F6A 1.393(18) . ?
C26 F4A 1.427(19) . ?
C26 F5 1.45(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C22 C23 1.40(2) . ?
C22 H22A 0.9500 . ?
C22 H22B 0.9500 . ?
C23 C24 1.39(2) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9500 . ?
C24 H24B 0.9500 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C23A C22A 1.39(3) . ?
C23A C24A 1.39(3) . ?
C23A H23A 0.9500 . ?
C24A H24C 0.9500 . ?
C24A H24D 0.9500 . ?
C22A H22C 0.9500 . ?
C22A H22D 0.9500 . ?

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
C1 Sb1 N2 73.4(4) . . ?
C1 Sb1 N1 73.7(3) . . ?
N2 Sb1 N1 147.1(3) . . ?
C1 Sb1 Pd1 107.0(3) . . ?
N2 Sb1 Pd1 91.9(2) . . ?
N1 Sb1 Pd1 98.8(2) . . ?
C1 Sb1 Pd2 111.5(3) . . ?
N2 Sb1 Pd2 93.5(2) . . ?
N1 Sb1 Pd2 97.2(2) . . ?
Pd1 Sb1 Pd2 140.99(4) . . ?
O1 Pd1 C18 135.0(4) . . ?
O1 Pd1 C17 169.8(5) . . ?
C18 Pd1 C17 38.5(4) . . ?
O1 Pd1 C19 102.5(4) . . ?
C18 Pd1 C19 37.4(5) . . ?
C17 Pd1 C19 68.2(5) . . ?
O1 Pd1 Sb1 92.5(2) . . ?
C18 Pd1 Sb1 130.6(4) . . ?
C17 Pd1 Sb1 96.3(3) . . ?
C19 Pd1 Sb1 163.7(3) . . ?
C20 O1 Pd1 117.7(8) . . ?
C7 N1 C8 121.8(9) . . ?
C7 N1 Sb1 111.2(7) . . ?
C8 N1 Sb1 127.0(6) . . ?
C6 C1 C2 120.6(10) . . ?
C6 C1 Sb1 119.8(8) . . ?
C2 C1 Sb1 119.5(7) . . ?
C12 N2 C13 122.9(10) . . ?
C12 N2 Sb1 110.9(8) . . ?
C13 N2 Sb1 126.2(7) . . ?
C22 Pd2 O3 169.8(8) . . ?
O3 Pd2 C22A 162.0(10) . . ?
C22 Pd2 C23 39.1(8) . . ?
O3 Pd2 C23 133.5(6) . . ?
O3 Pd2 C23A 124.0(9) . . ?
C22A Pd2 C23A 38.0(9) . . ?
C22 Pd2 C24 69.4(10) . . ?
O3 Pd2 C24 101.0(7) . . ?
C23 Pd2 C24 37.5(7) . . ?
O3 Pd2 C24A 95.7(11) . . ?
C22A Pd2 C24A 68.3(14) . . ?
C23A Pd2 C24A 36.7(8) . . ?
C22 Pd2 Sb1 91.9(7) . . ?
O3 Pd2 Sb1 97.2(2) . . ?
C22A Pd2 Sb1 99.6(10) . . ?
C23 Pd2 Sb1 127.7(5) . . ?
C23A Pd2 Sb1 134.8(8) . . ?
C24 Pd2 Sb1 160.2(7) . . ?
C24A Pd2 Sb1 165.8(13) . . ?
C1 C2 C3 119.9(10) . . ?
C1 C2 C7 116.3(9) . . ?
C3 C2 C7 123.8(11) . . ?
C25 O3 Pd2 119.7(8) . . ?
C4 C3 C2 119.7(11) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 121.0(11) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 119.5(10) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 119.4(10) . . ?
C1 C6 C12 116.3(10) . . ?
C5 C6 C12 124.3(10) . . ?
N1 C8 C11 114.3(9) . . ?
N1 C8 C10 107.0(10) . . ?
C11 C8 C10 109.0(10) . . ?
N1 C8 C9 105.7(8) . . ?
C11 C8 C9 109.8(10) . . ?
C10 C8 C9 111.0(10) . . ?
N1 C7 C2 119.1(10) . . ?
N1 C7 H7 120.4 . . ?
C2 C7 H7 120.4 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C6 119.5(10) . . ?
N2 C12 H12 120.2 . . ?
C6 C12 H12 120.2 . . ?
N2 C13 C15A 106.1(19) . . ?
N2 C13 C16 112(3) . . ?
N2 C13 C15 113(7) . . ?
C16 C13 C15 122(9) . . ?
N2 C13 C16A 110.3(12) . . ?
C15A C13 C16A 106(3) . . ?
N2 C13 C14 108(8) . . ?
C16 C13 C14 99(7) . . ?
C15 C13 C14 100(9) . . ?
N2 C13 C14A 107(2) . . ?
C15A C13 C14A 113(3) . . ?
C16A C13 C14A 114(2) . . ?
C18 C17 Pd1 70.4(8) . . ?
C18 C17 H17A 120.0 . . ?
Pd1 C17 H17A 73.7 . . ?
C18 C17 H17B 120.0 . . ?
Pd1 C17 H17B 128.0 . . ?
H17A C17 H17B 120.0 . . ?
C19 C18 C17 120.7(15) . . ?
C19 C18 Pd1 73.7(8) . . ?
C17 C18 Pd1 71.1(8) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
Pd1 C18 H18 127.7 . . ?
C18 C19 Pd1 68.9(8) . . ?
C18 C19 H19A 120.0 . . ?
Pd1 C19 H19A 73.9 . . ?
C18 C19 H19B 120.0 . . ?
Pd1 C19 H19B 129.6 . . ?
H19A C19 H19B 120.0 . . ?
O2 C20 O1 129.9(12) . . ?
O2 C20 C21 117.1(12) . . ?
O1 C20 C21 112.9(12) . . ?
F1A C21 F2A 106.4(16) . . ?
F2 C21 F3 109.5(14) . . ?
F2 C21 F1 108(2) . . ?
F3 C21 F1 102.7(15) . . ?
F1A C21 F3A 107(2) . . ?
F2A C21 F3A 104.1(14) . . ?
F1A C21 C20 117(2) . . ?
F2 C21 C20 115.6(13) . . ?
F2A C21 C20 116.9(13) . . ?
F3 C21 C20 111.1(12) . . ?
F1 C21 C20 109(2) . . ?
F3A C21 C20 105.0(11) . . ?
O4 C25 O3 132.6(14) . . ?
O4 C25 C26 114.4(12) . . ?
O3 C25 C26 113.0(12) . . ?
C32 C27 C28 121.6(16) . . ?
C32 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C27 C28 C29 119.6(16) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 118.8(15) . . ?
C30 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C31 C30 C29 120.4(15) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 120.5(16) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C27 C32 C31 119.0(16) . . ?
C27 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
F4 C26 F6 110.4(17) . . ?
F5A C26 F6A 112.2(18) . . ?
F5A C26 F4A 97(2) . . ?
F6A C26 F4A 95.9(16) . . ?
F4 C26 F5 107.9(18) . . ?
F6 C26 F5 94.0(16) . . ?
F4 C26 C25 119.8(17) . . ?
F5A C26 C25 122.7(19) . . ?
F6 C26 C25 112.6(13) . . ?
F6A C26 C25 114.4(13) . . ?
F4A C26 C25 109.2(15) . . ?
F5 C26 C25 109.0(16) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C23 C22 Pd2 72.8(17) . . ?
C23 C22 H22A 120.0 . . ?
Pd2 C22 H22A 70.6 . . ?
C23 C22 H22B 120.0 . . ?
Pd2 C22 H22B 128.9 . . ?
H22A C22 H22B 120.0 . . ?
C24 C23 C22 121(3) . . ?
C24 C23 Pd2 74.2(17) . . ?
C22 C23 Pd2 68.0(19) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
Pd2 C23 H23 130.8 . . ?
C23 C24 Pd2 68.3(15) . . ?
C23 C24 H24A 120.0 . . ?
Pd2 C24 H24A 71.7 . . ?
C23 C24 H24B 120.0 . . ?
Pd2 C24 H24B 133.1 . . ?
H24A C24 H24B 120.0 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C22A C23A C24A 121(4) . . ?
C22A C23A Pd2 66(3) . . ?
C24A C23A Pd2 73(2) . . ?
C22A C23A H23A 119.7 . . ?
C24A C23A H23A 119.7 . . ?
Pd2 C23A H23A 134.5 . . ?
C23A C24A Pd2 70(2) . . ?
C23A C24A H24C 120.0 . . ?
Pd2 C24A H24C 67.8 . . ?
C23A C24A H24D 120.0 . . ?
Pd2 C24A H24D 135.4 . . ?
H24C C24A H24D 120.0 . . ?
C23A C22A Pd2 76(3) . . ?
C23A C22A H22C 120.0 . . ?
Pd2 C22A H22C 66.1 . . ?
C23A C22A H22D 120.0 . . ?
Pd2 C22A H22D 130.8 . . ?
H22C C22A H22D 120.0 . . ?

_refine_diff_density_max         0.715
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.169

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ld181210Sb1
_database_code_depnum_ccdc_archive 'CCDC 1908187'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H33 Cl2 N2 Pd2 Sb, 2(C6 H6)'
_chemical_formula_sum            'C34 H45 Cl2 N2 Pd2 Sb'
_chemical_formula_weight         887.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.9651(10)
_cell_length_b                   22.9000(14)
_cell_length_c                   18.0049(13)
_cell_angle_alpha                90
_cell_angle_beta                 118.278(7)
_cell_angle_gamma                90
_cell_volume                     3618.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    53544
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.594
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.262
_exptl_absorpt_coefficient_mu    1.896
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5794
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.777
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 9.091
_diffrn_reflns_number            53544
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.194
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             8104
_reflns_number_gt                6890
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_reduction        'COLLECT and DENZO'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0130P)²+5.6703P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8104
_refine_ls_number_parameters     370
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0590
_refine_ls_wR_factor_gt          0.0514
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_restrained_S_all      1.222
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Sb1 Sb 0.92469(2) 0.16292(2) 0.43198(2) 0.01808(5) Uani 1 1 d . . . . .
Pd1 Pd 0.69884(2) 0.21822(2) 0.31649(2) 0.02189(5) Uani 1 1 d . . . . .
Pd2 Pd 1.21926(2) 0.16741(2) 0.50526(2) 0.02142(5) Uani 1 1 d . . . . .
Cl1 Cl 0.83666(9) 0.27513(3) 0.26681(5) 0.03489(17) Uani 1 1 d . . . . .
Cl2 Cl 1.25192(9) 0.12228(3) 0.62969(5) 0.03415(17) Uani 1 1 d . . . . .
C5 C 0.7721(4) 0.08609(14) 0.5991(2) 0.0328(7) Uani 1 1 d . . . . .
H5 H 0.7615 0.0988 0.6451 0.039 Uiso 1 1 d R U . . .
C12 C 0.8706(3) 0.18439(13) 0.58467(18) 0.0262(6) Uani 1 1 d . . . . .
H12 H 0.8629 0.2000 0.6302 0.031 Uiso 1 1 d R U . . .
C22 C 1.4577(4) 0.18198(18) 0.5379(2) 0.0426(8) Uani 1 1 d . . . . .
H22A H 1.5251 0.1947 0.5952 0.051 Uiso 1 1 d R U . . .
H22B H 1.5036 0.1538 0.5166 0.051 Uiso 1 1 d R U . . .
C14 C 1.0302(5) 0.30141(15) 0.5151(2) 0.0499(10) Uani 1 1 d . . . . .
H14A H 1.1214 0.2793 0.5305 0.060 Uiso 1 1 d R U . . .
H14B H 1.0559 0.3417 0.5291 0.060 Uiso 1 1 d R U . . .
H14C H 0.9639 0.2978 0.4556 0.060 Uiso 1 1 d R U . . .
N1 N 0.8661(3) 0.07178(10) 0.35346(14) 0.0223(5) Uani 1 1 d . . . . .
C17 C 0.4637(4) 0.24187(19) 0.2255(3) 0.0509(10) Uani 1 1 d . . . . .
H17A H 0.4433 0.2829 0.2113 0.061 Uiso 1 1 d R U . . .
H17B H 0.4101 0.2158 0.1779 0.061 Uiso 1 1 d R U . . .
C19 C 0.5394(4) 0.17161(16) 0.3378(2) 0.0409(8) Uani 1 1 d . . . . .
H19A H 0.4968 0.1368 0.3040 0.049 Uiso 1 1 d R U . . .
H19B H 0.5631 0.1667 0.3963 0.049 Uiso 1 1 d R U . . .
C25 C 0.2699(5) 0.35835(15) 0.3385(3) 0.0493(10) Uani 1 1 d . . . . .
H25 H 0.2193 0.3359 0.2899 0.059 Uiso 1 1 d R U . . .
C9 C 0.7290(5) 0.09063(18) 0.2036(2) 0.0475(9) Uani 1 1 d . . . . .
H9A H 0.6387 0.0711 0.1968 0.057 Uiso 1 1 d R U . . .
H9B H 0.7336 0.0889 0.1515 0.057 Uiso 1 1 d R U . . .
H9C H 0.7267 0.1306 0.2187 0.057 Uiso 1 1 d R U . . .
C11 C 0.8672(5) -0.00396(14) 0.2530(2) 0.0443(9) Uani 1 1 d . . . . .
H11A H 0.9432 -0.0239 0.3018 0.053 Uiso 1 1 d R U . . .
H11B H 0.8892 -0.0087 0.2069 0.053 Uiso 1 1 d R U . . .
H11C H 0.7688 -0.0203 0.2379 0.053 Uiso 1 1 d R U . . .
C18 C 0.4736(4) 0.22458(19) 0.3004(3) 0.0549(11) Uani 1 1 d . . . . .
H18 H 0.4366 0.2494 0.3275 0.066 Uiso 1 1 d R U . . .
N2 N 0.9154(3) 0.21577(10) 0.54196(14) 0.0229(5) Uani 1 1 d . . . . .
C15 C 1.0562(4) 0.28551(17) 0.6568(2) 0.0446(9) Uani 1 1 d . . . . .
H15A H 1.0011 0.2761 0.6868 0.054 Uiso 1 1 d R U . . .
H15B H 1.0917 0.3251 0.6687 0.054 Uiso 1 1 d R U . . .
H15C H 1.1417 0.2596 0.6742 0.054 Uiso 1 1 d R U . . .
C1 C 0.8474(3) 0.10422(12) 0.49239(17) 0.0216(5) Uani 1 1 d . . . . .
C13 C 0.9508(4) 0.27882(13) 0.56287(19) 0.0284(6) Uani 1 1 d . . . . .
C23 C 0.4838(5) 0.4144(2) 0.4286(3) 0.0640(12) Uani 1 1 d D . . . .
H23 H 0.5788 0.4300 0.4421 0.077 Uiso 1 1 d R U . . .
C27 C 0.2802(6) 0.4002(2) 0.4615(3) 0.0630(12) Uani 1 1 d . . . . .
H27 H 0.2364 0.4069 0.4963 0.076 Uiso 1 1 d R U . . .
C20 C 1.2430(4) 0.20653(16) 0.4056(2) 0.0363(7) Uani 1 1 d . . . . .
H20A H 1.2666 0.1805 0.3709 0.044 Uiso 1 1 d R U . . .
H20B H 1.1685 0.2362 0.3734 0.044 Uiso 1 1 d R U . . .
C6 C 0.8315(3) 0.12361(13) 0.56069(18) 0.0246(6) Uani 1 1 d . . . . .
C31 C 0.7191(6) -0.0447(2) 0.8170(3) 0.0714(14) Uani 1 1 d . . . . .
H31 H 0.7043 -0.0848 0.8169 0.086 Uiso 1 1 d R U . . .
C26 C 0.2045(5) 0.36747(18) 0.3895(3) 0.0562(11) Uani 1 1 d . . . . .
H26 H 0.1101 0.3511 0.3756 0.067 Uiso 1 1 d R U . . .
C28 C 0.4189(5) 0.4238(2) 0.4816(2) 0.0673(13) Uani 1 1 d D . . . .
H28 H 0.4711 0.4460 0.5302 0.081 Uiso 1 1 d R U . . .
C8 C 0.8686(4) 0.06062(13) 0.27280(18) 0.0286(6) Uani 1 1 d . . . . .
C7 C 0.8219(3) 0.03256(12) 0.38788(18) 0.0258(6) Uani 1 1 d . . . . .
H7 H 0.7995 -0.0049 0.3658 0.031 Uiso 1 1 d R U . . .
C30 C 0.6103(5) -0.0125(2) 0.7564(3) 0.0713(14) Uani 1 1 d . . . . .
H30 H 0.5214 -0.0300 0.7159 0.086 Uiso 1 1 d R U . . .
C10 C 1.0118(4) 0.08921(16) 0.2804(2) 0.0415(8) Uani 1 1 d . . . . .
H10A H 1.0080 0.1305 0.2886 0.050 Uiso 1 1 d R U . . .
H10B H 1.0190 0.0824 0.2298 0.050 Uiso 1 1 d R U . . .
H10C H 1.0993 0.0729 0.3277 0.050 Uiso 1 1 d R U . . .
C3 C 0.7471(4) 0.01012(14) 0.5004(2) 0.0346(7) Uani 1 1 d . . . . .
H3 H 0.7206 -0.0280 0.4810 0.042 Uiso 1 1 d R U . . .
C2 C 0.8071(3) 0.04796(12) 0.46217(18) 0.0249(6) Uani 1 1 d . . . . .
C34 C 0.7621(7) 0.0715(2) 0.8153(3) 0.0863(17) Uani 1 1 d D U . . .
H34 H 0.7765 0.1117 0.8157 0.104 Uiso 1 1 d R U . . .
C29 C 0.6267(5) 0.0462(2) 0.7542(3) 0.0727(15) Uani 1 1 d D U . . .
H29 H 0.5502 0.0687 0.7127 0.087 Uiso 1 1 d R U . . .
C24 C 0.4085(5) 0.38194(18) 0.3584(3) 0.0528(10) Uani 1 1 d . . . . .
H24 H 0.4510 0.3759 0.3229 0.063 Uiso 1 1 d R U . . .
C4 C 0.7295(4) 0.02992(15) 0.5680(2) 0.0397(8) Uani 1 1 d . . . . .
H4 H 0.6877 0.0052 0.5927 0.048 Uiso 1 1 d R U . . .
C21 C 1.3660(4) 0.22472(18) 0.4810(2) 0.0453(9) Uani 1 1 d . . . . .
H21 H 1.3865 0.2642 0.4933 0.054 Uiso 1 1 d R U . . .
C16 C 0.8016(4) 0.31064(17) 0.5366(3) 0.0643(13) Uani 1 1 d . . . . .
H16A H 0.7352 0.3044 0.4776 0.077 Uiso 1 1 d R U . . .
H16B H 0.8205 0.3517 0.5473 0.077 Uiso 1 1 d R U . . .
H16C H 0.7544 0.2958 0.5685 0.077 Uiso 1 1 d R U . . .
C32 C 0.8463(6) -0.0222(2) 0.8746(3) 0.0641(12) Uani 1 1 d . . . . .
H32 H 0.9188 -0.0458 0.9162 0.077 Uiso 1 1 d R U . . .
C33 C 0.8710(7) 0.0351(3) 0.8745(3) 0.0836(17) Uani 1 1 d . U . . .
H33 H 0.9632 0.0509 0.9144 0.100 Uiso 1 1 d R U . . .


_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
Sb1 C1 2.092(3) . ?
Sb1 N2 2.360(2) . ?
Sb1 N1 2.432(2) . ?
Sb1 Pd1 2.5610(4) . ?
Sb1 Pd2 2.5881(4) . ?
Pd1 C19 2.095(3) . ?
Pd1 C18 2.128(4) . ?
Pd1 C17 2.198(3) . ?
Pd1 Cl1 2.3556(8) . ?
Pd2 C20 2.116(3) . ?
Pd2 C21 2.157(3) . ?
Pd2 C22 2.186(3) . ?
Pd2 Cl2 2.3458(8) . ?
C5 C4 1.387(5) . ?
C5 C6 1.398(4) . ?
C5 H5 0.9299 . ?
C12 N2 1.278(4) . ?
C12 C6 1.455(4) . ?
C12 H12 0.9296 . ?
C22 C21 1.399(5) . ?
C22 H22A 0.9714 . ?
C22 H22B 0.9693 . ?
C14 C13 1.510(5) . ?
C14 H14A 0.9593 . ?
C14 H14B 0.9590 . ?
C14 H14C 0.9593 . ?
N1 C7 1.282(4) . ?
N1 C8 1.487(4) . ?
C17 C18 1.363(6) . ?
C17 H17A 0.9690 . ?
C17 H17B 0.9713 . ?
C19 C18 1.392(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9706 . ?
C25 C24 1.363(6) . ?
C25 C26 1.371(6) . ?
C25 H25 0.9301 . ?
C9 C8 1.522(5) . ?
C9 H9A 0.9590 . ?
C9 H9B 0.9614 . ?
C9 H9C 0.9589 . ?
C11 C8 1.520(4) . ?
C11 H11A 0.9606 . ?
C11 H11B 0.9597 . ?
C11 H11C 0.9603 . ?
C18 H18 0.9311 . ?
N2 C13 1.492(4) . ?
C15 C13 1.518(4) . ?
C15 H15A 0.9595 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9607 . ?
C1 C2 1.382(4) . ?
C1 C6 1.385(4) . ?
C13 C16 1.516(5) . ?
C23 C24 1.347(6) . ?
C23 C28 1.3996(10) . ?
C23 H23 0.9300 . ?
C27 C28 1.364(6) . ?
C27 C26 1.373(6) . ?
C27 H27 0.9305 . ?
C20 C21 1.393(5) . ?
C20 H20A 0.9692 . ?
C20 H20B 0.9706 . ?
C31 C32 1.305(7) . ?
C31 C30 1.336(7) . ?
C31 H31 0.9299 . ?
C26 H26 0.9303 . ?
C28 H28 0.9292 . ?
C8 C10 1.516(4) . ?
C7 C2 1.457(4) . ?
C7 H7 0.9281 . ?
C30 C29 1.359(7) . ?
C30 H30 0.9301 . ?
C10 H10A 0.9607 . ?
C10 H10B 0.9599 . ?
C10 H10C 0.9599 . ?
C3 C4 1.387(5) . ?
C3 C2 1.404(4) . ?
C3 H3 0.9304 . ?
C34 C29 1.3996(10) . ?
C34 C33 1.383(8) . ?
C34 H34 0.9312 . ?
C29 H29 0.9302 . ?
C24 H24 0.9291 . ?
C4 H4 0.9310 . ?
C21 H21 0.9307 . ?
C16 H16A 0.9594 . ?
C16 H16B 0.9613 . ?
C16 H16C 0.9602 . ?
C32 C33 1.334(7) . ?
C32 H32 0.9286 . ?
C33 H33 0.9305 . ?

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
C1 Sb1 N2 73.91(10) . . ?
C1 Sb1 N1 72.81(9) . . ?
N2 Sb1 N1 146.51(8) . . ?
C1 Sb1 Pd1 109.97(7) . . ?
N2 Sb1 Pd1 93.38(6) . . ?
N1 Sb1 Pd1 94.34(6) . . ?
C1 Sb1 Pd2 111.62(7) . . ?
N2 Sb1 Pd2 92.16(6) . . ?
N1 Sb1 Pd2 103.45(6) . . ?
Pd1 Sb1 Pd2 137.943(11) . . ?
C19 Pd1 C18 38.47(14) . . ?
C19 Pd1 C17 68.20(14) . . ?
C18 Pd1 C17 36.69(15) . . ?
C19 Pd1 Cl1 168.72(10) . . ?
C18 Pd1 Cl1 132.66(11) . . ?
C17 Pd1 Cl1 100.86(10) . . ?
C19 Pd1 Sb1 92.88(9) . . ?
C18 Pd1 Sb1 127.51(11) . . ?
C17 Pd1 Sb1 160.65(10) . . ?
Cl1 Pd1 Sb1 97.80(2) . . ?
C20 Pd2 C21 38.05(13) . . ?
C20 Pd2 C22 67.65(13) . . ?
C21 Pd2 C22 37.56(14) . . ?
C20 Pd2 Cl2 167.28(9) . . ?
C21 Pd2 Cl2 131.33(11) . . ?
C22 Pd2 Cl2 99.73(10) . . ?
C20 Pd2 Sb1 98.04(9) . . ?
C21 Pd2 Sb1 129.39(11) . . ?
C22 Pd2 Sb1 165.68(10) . . ?
Cl2 Pd2 Sb1 94.59(2) . . ?
C4 C5 C6 119.5(3) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.1 . . ?
N2 C12 C6 118.7(3) . . ?
N2 C12 H12 120.8 . . ?
C6 C12 H12 120.5 . . ?
C21 C22 Pd2 70.10(19) . . ?
C21 C22 H22A 116.8 . . ?
Pd2 C22 H22A 116.6 . . ?
C21 C22 H22B 116.3 . . ?
Pd2 C22 H22B 116.6 . . ?
H22A C22 H22B 113.7 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.7 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 N1 C8 121.4(2) . . ?
C7 N1 Sb1 111.30(19) . . ?
C8 N1 Sb1 127.22(17) . . ?
C18 C17 Pd1 68.9(2) . . ?
C18 C17 H17A 116.8 . . ?
Pd1 C17 H17A 116.9 . . ?
C18 C17 H17B 116.5 . . ?
Pd1 C17 H17B 116.9 . . ?
H17A C17 H17B 113.9 . . ?
C18 C19 Pd1 72.0(2) . . ?
C18 C19 H19A 116.5 . . ?
Pd1 C19 H19A 116.6 . . ?
C18 C19 H19B 116.3 . . ?
Pd1 C19 H19B 116.2 . . ?
H19A C19 H19B 113.3 . . ?
C24 C25 C26 120.5(4) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 109.4 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C11 H11A 109.4 . . ?
C8 C11 H11B 109.3 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.8 . . ?
H11A C11 H11C 109.4 . . ?
H11B C11 H11C 109.4 . . ?
C17 C18 C19 121.9(4) . . ?
C17 C18 Pd1 74.5(2) . . ?
C19 C18 Pd1 69.5(2) . . ?
C17 C18 H18 118.7 . . ?
C19 C18 H18 119.4 . . ?
Pd1 C18 H18 128.6 . . ?
C12 N2 C13 120.0(2) . . ?
C12 N2 Sb1 112.36(19) . . ?
C13 N2 Sb1 127.58(18) . . ?
C13 C15 H15A 109.0 . . ?
C13 C15 H15B 109.4 . . ?
H15A C15 H15B 109.6 . . ?
C13 C15 H15C 109.9 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2 C1 C6 120.9(3) . . ?
C2 C1 Sb1 120.3(2) . . ?
C6 C1 Sb1 118.7(2) . . ?
N2 C13 C14 108.2(2) . . ?
N2 C13 C16 107.9(3) . . ?
C14 C13 C16 111.0(3) . . ?
N2 C13 C15 109.6(3) . . ?
C14 C13 C15 109.1(3) . . ?
C16 C13 C15 111.0(3) . . ?
C24 C23 C28 119.5(4) . . ?
C24 C23 H23 120.2 . . ?
C28 C23 H23 120.3 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 120.2 . . ?
C21 C20 Pd2 72.6(2) . . ?
C21 C20 H20A 116.2 . . ?
Pd2 C20 H20A 116.4 . . ?
C21 C20 H20B 116.3 . . ?
Pd2 C20 H20B 116.2 . . ?
H20A C20 H20B 113.3 . . ?
C1 C6 C5 119.7(3) . . ?
C1 C6 C12 116.3(2) . . ?
C5 C6 C12 123.9(3) . . ?
C32 C31 C30 122.5(5) . . ?
C32 C31 H31 119.0 . . ?
C30 C31 H31 118.4 . . ?
C25 C26 C27 119.5(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.5 . . ?
C27 C28 C23 119.7(4) . . ?
C27 C28 H28 120.8 . . ?
C23 C28 H28 119.5 . . ?
N1 C8 C10 106.7(2) . . ?
N1 C8 C11 113.2(2) . . ?
C10 C8 C11 110.2(3) . . ?
N1 C8 C9 106.9(3) . . ?
C10 C8 C9 109.6(3) . . ?
C11 C8 C9 110.1(3) . . ?
N1 C7 C2 118.8(3) . . ?
N1 C7 H7 120.6 . . ?
C2 C7 H7 120.6 . . ?
C31 C30 C29 120.5(5) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 119.1 . . ?
C8 C10 H10A 109.6 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.4 . . ?
C8 C10 H10C 109.4 . . ?
H10A C10 H10C 109.4 . . ?
H10B C10 H10C 109.5 . . ?
C4 C3 C2 119.3(3) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.4 . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 C7 116.8(2) . . ?
C3 C2 C7 123.5(3) . . ?
C29 C34 C33 117.9(4) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 121.9 . . ?
C30 C29 C34 118.1(4) . . ?
C30 C29 H29 120.6 . . ?
C34 C29 H29 121.4 . . ?
C23 C24 C25 120.7(4) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.7 . . ?
C5 C4 C3 121.0(3) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C20 C21 C22 118.2(4) . . ?
C20 C21 Pd2 69.37(19) . . ?
C22 C21 Pd2 72.3(2) . . ?
C20 C21 H21 121.0 . . ?
C22 C21 H21 120.8 . . ?
Pd2 C21 H21 129.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.8 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.2 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.3 . . ?
C31 C32 C33 119.8(5) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C34 121.1(5) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.2 . . ?

_refine_diff_density_max         0.953
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.090

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ld181210Sb1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1908186'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H37 Cl2 N2 Pd2 Sb, 2(C6 H6)'
_chemical_formula_sum            'C36 H49 Cl2 N2 Pd2 Sb'
_chemical_formula_weight         915.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   26.6878(9)
_cell_length_b                   12.1213(4)
_cell_length_c                   23.2984(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7536.8(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    74874
_cell_measurement_theta_min      1
_cell_measurement_theta_max      32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_F_000             3648
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5427
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.727
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            71935
_diffrn_reflns_av_unetI/netI     0.1541
_diffrn_reflns_av_R_equivalents  0.1069
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.270
_diffrn_reflns_theta_max         32.073
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.895
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.805
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             21184
_reflns_number_gt                13371
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.762
_reflns_Friedel_fraction_max     0.712
_reflns_Friedel_fraction_full    0.991

_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.
;

_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0287P)²+9.7322P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4854 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.291(17)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         21184
_refine_ls_number_parameters     817
_refine_ls_number_restraints     899
_refine_ls_R_factor_all          0.1445
_refine_ls_R_factor_gt           0.0670
_refine_ls_wR_factor_ref         0.0983
_refine_ls_wR_factor_gt          0.0843
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.003

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
Sb1 Sb 0.42955(2) 0.54904(6) 0.29693(3) 0.02072(15) Uani 1 1 d . U . . .
C1 C 0.4462(4) 0.5152(8) 0.3827(5) 0.022(2) Uani 1 1 d . U . . .
N1 N 0.4590(3) 0.7196(6) 0.3394(3) 0.0223(18) Uani 1 1 d . U . . .
Cl1 Cl 0.47534(12) 0.5425(3) 0.14565(13) 0.0466(8) Uani 1 1 d . U . . .
Pd1 Pd 0.51010(3) 0.52548(7) 0.23858(4) 0.02513(19) Uani 1 1 d . U . . .
Pd3 Pd 0.40451(3) 0.10534(6) 0.55282(3) 0.02145(18) Uani 1 1 d . U . . .
C3 C 0.4803(4) 0.5690(9) 0.4739(5) 0.031(2) Uani 1 1 d . U . . .
H3 H 0.4937 0.6240 0.4986 0.037 Uiso 1 1 calc R U . . .
N3 N 0.2849(3) 0.2194(6) 0.4962(3) 0.0218(18) Uani 1 1 d . U . . .
Cl3 Cl 0.43154(10) 0.0732(3) 0.45800(12) 0.0394(8) Uani 1 1 d . U . . .
Pd4 Pd 0.23145(3) 0.01084(6) 0.59272(4) 0.0247(2) Uani 1 1 d . U . . .
C4 C 0.4748(4) 0.4643(10) 0.4928(5) 0.033(2) Uani 1 1 d . U . . .
H4 H 0.4845 0.4474 0.5311 0.039 Uiso 1 1 calc R U . . .
N4 N 0.3297(3) -0.1435(6) 0.5206(3) 0.0217(18) Uani 1 1 d . U . . .
Cl4 Cl 0.26561(13) -0.0114(3) 0.68518(14) 0.0485(9) Uani 1 1 d . U . . .
C9 C 0.5003(4) 0.9049(9) 0.3411(5) 0.041(3) Uani 1 1 d . U . . .
H9A H 0.5318 0.8645 0.3459 0.062 Uiso 1 1 calc R U . . .
H9B H 0.4877 0.9278 0.3788 0.062 Uiso 1 1 calc R U . . .
H9C H 0.5060 0.9702 0.3172 0.062 Uiso 1 1 calc R U . . .
C8 C 0.4617(4) 0.8301(9) 0.3120(5) 0.032(2) Uani 1 1 d . U . . .
C7 C 0.4710(4) 0.7030(8) 0.3929(4) 0.026(2) Uani 1 1 d . U . . .
H7 H 0.4831 0.7625 0.4156 0.032 Uiso 1 1 calc R U . . .
C6 C 0.4413(4) 0.4069(9) 0.4020(4) 0.024(2) Uani 1 1 d . U . . .
C5 C 0.4557(4) 0.3802(9) 0.4586(5) 0.033(2) Uani 1 1 d . U . . .
H5 H 0.4524 0.3071 0.4729 0.040 Uiso 1 1 calc R U . . .
C10 C 0.4772(5) 0.8117(9) 0.2493(5) 0.044(3) Uani 1 1 d . U . . .
H10A H 0.4768 0.8824 0.2288 0.065 Uiso 1 1 calc R U . . .
H10B H 0.4536 0.7607 0.2310 0.065 Uiso 1 1 calc R U . . .
H10C H 0.5110 0.7803 0.2480 0.065 Uiso 1 1 calc R U . . .
C14 C 0.3549(4) 0.2034(9) 0.2902(6) 0.049(3) Uani 1 1 d . U . . .
H14A H 0.3387 0.1626 0.2590 0.073 Uiso 1 1 calc R U . . .
H14B H 0.3298 0.2473 0.3107 0.073 Uiso 1 1 calc R U . . .
H14C H 0.3705 0.1511 0.3169 0.073 Uiso 1 1 calc R U . . .
C13 C 0.3945(4) 0.2788(8) 0.2657(5) 0.031(2) Uani 1 1 d . U . . .
C12 C 0.4214(4) 0.3266(9) 0.3608(5) 0.029(2) Uani 1 1 d . U . . .
H12 H 0.4159 0.2522 0.3720 0.034 Uiso 1 1 calc R U . . .
C11 C 0.4100(4) 0.8807(9) 0.3148(6) 0.040(3) Uani 1 1 d . U . . .
H11A H 0.4106 0.9536 0.2966 0.060 Uiso 1 1 calc R U . . .
H11B H 0.3997 0.8881 0.3550 0.060 Uiso 1 1 calc R U . . .
H11C H 0.3862 0.8331 0.2945 0.060 Uiso 1 1 calc R U . . .
C15 C 0.4398(5) 0.2165(10) 0.2445(6) 0.052(3) Uani 1 1 d . U . . .
H15A H 0.4304 0.1714 0.2113 0.079 Uiso 1 1 calc R U . . .
H15B H 0.4524 0.1687 0.2752 0.079 Uiso 1 1 calc R U . . .
H15C H 0.4659 0.2690 0.2333 0.079 Uiso 1 1 calc R U . . .
C16 C 0.3725(5) 0.3424(10) 0.2160(5) 0.045(3) Uani 1 1 d . U . . .
H16A H 0.3984 0.3893 0.1989 0.068 Uiso 1 1 calc R U . . .
H16B H 0.3448 0.3886 0.2297 0.068 Uiso 1 1 calc R U . . .
H16C H 0.3600 0.2906 0.1870 0.068 Uiso 1 1 calc R U . . .
C17 C 0.5570(5) 0.5085(12) 0.3121(7) 0.057(4) Uani 1 1 d . U . . .
H17A H 0.5400 0.5774 0.3121 0.068 Uiso 1 1 calc R U . A 1
H17B H 0.5532 0.4594 0.3436 0.068 Uiso 1 1 calc R U . A 1
C20 C 0.6130(5) 0.5182(11) 0.1614(6) 0.060(4) Uani 1 1 d D U . . .
H20A H 0.6220 0.4399 0.1625 0.090 Uiso 1 1 calc R U . B 1
H20B H 0.6427 0.5622 0.1521 0.090 Uiso 1 1 calc R U . B 1
H20C H 0.5872 0.5302 0.1322 0.090 Uiso 1 1 calc R U . B 1
C21 C 0.3478(4) 0.6477(11) 0.1918(5) 0.042(3) Uani 1 1 d . U . . .
H21A H 0.3637 0.7075 0.2109 0.050 Uiso 1 1 calc R U . C 1
H21B H 0.3666 0.6016 0.1669 0.050 Uiso 1 1 calc R U . C 1
C25 C 0.5975(5) 0.7378(11) 0.5053(6) 0.069(4) Uani 1 1 d D U . . .
H25 H 0.6246 0.7042 0.4856 0.083 Uiso 1 1 calc R U . . .
C24 C 0.2199(4) 0.6816(11) 0.2590(5) 0.044(3) Uani 1 1 d D U . . .
H24A H 0.2065 0.6103 0.2465 0.066 Uiso 1 1 calc R U . D 1
H24B H 0.1985 0.7412 0.2444 0.066 Uiso 1 1 calc R U . D 1
H24C H 0.2205 0.6842 0.3011 0.066 Uiso 1 1 calc R U . D 1
C26 C 0.5746(5) 0.8276(11) 0.4823(5) 0.057(3) Uani 1 1 d D U . . .
H26 H 0.5858 0.8569 0.4468 0.068 Uiso 1 1 calc R U . . .
C28 C 0.5187(5) 0.8310(12) 0.5623(6) 0.072(4) Uani 1 1 d D U . . .
H28 H 0.4914 0.8636 0.5821 0.086 Uiso 1 1 calc R U . . .
C27 C 0.5351(5) 0.8761(11) 0.5107(6) 0.060(4) Uani 1 1 d D U . . .
H27 H 0.5192 0.9397 0.4953 0.073 Uiso 1 1 calc R U . . .
C29 C 0.5419(6) 0.7393(12) 0.5847(7) 0.079(4) Uani 1 1 d D U . . .
H29 H 0.5303 0.7071 0.6194 0.094 Uiso 1 1 calc R U . . .
Sb2 Sb 0.31283(2) 0.04542(6) 0.53680(3) 0.01987(15) Uani 1 1 d . U . . .
C2 C 0.4661(4) 0.5959(9) 0.4174(5) 0.023(2) Uani 1 1 d . U . . .
N2 N 0.4119(3) 0.3577(7) 0.3104(4) 0.0240(18) Uani 1 1 d . U . . .
Cl2 Cl 0.31031(10) 0.5780(3) 0.37394(12) 0.0367(7) Uani 1 1 d . U . . .
Pd2 Pd 0.33837(3) 0.61050(6) 0.27951(3) 0.02252(18) Uani 1 1 d . U . . .
C30 C 0.5816(5) 0.6956(12) 0.5565(6) 0.072(4) Uani 1 1 d D U . . .
H30 H 0.5987 0.6344 0.5726 0.087 Uiso 1 1 calc R U . . .
C31 C 0.6449(4) 0.3889(11) 0.4200(6) 0.060(4) Uani 1 1 d D U . . .
H31 H 0.6406 0.4112 0.3812 0.072 Uiso 1 1 calc R U . . .
C32 C 0.6117(5) 0.4244(12) 0.4612(5) 0.065(4) Uani 1 1 d D U . . .
H32 H 0.5842 0.4700 0.4506 0.078 Uiso 1 1 calc R U . . .
C33 C 0.6181(5) 0.3940(10) 0.5179(5) 0.059(3) Uani 1 1 d D U . . .
H33 H 0.5951 0.4180 0.5464 0.071 Uiso 1 1 calc R U . . .
C34 C 0.6586(5) 0.3282(10) 0.5329(5) 0.063(4) Uani 1 1 d D U . . .
H34 H 0.6640 0.3084 0.5718 0.076 Uiso 1 1 calc R U . . .
C35 C 0.6908(5) 0.2920(11) 0.4908(4) 0.053(3) Uani 1 1 d D U . . .
H35 H 0.7182 0.2458 0.5008 0.064 Uiso 1 1 calc R U . . .
C36 C 0.6838(4) 0.3221(11) 0.4344(5) 0.054(3) Uani 1 1 d D U . . .
H36 H 0.7061 0.2961 0.4056 0.065 Uiso 1 1 calc R U . . .
C37 C 0.2942(5) 0.3883(11) 0.8282(6) 0.065(4) Uani 1 1 d D U . . .
H37 H 0.2799 0.4524 0.8450 0.078 Uiso 1 1 calc R U . . .
C38 C 0.2763(6) 0.3496(12) 0.7770(7) 0.080(4) Uani 1 1 d D U . . .
H38 H 0.2490 0.3855 0.7587 0.096 Uiso 1 1 calc R U . . .
C39 C 0.2982(6) 0.2580(12) 0.7522(6) 0.074(4) Uani 1 1 d D U . . .
H39 H 0.2866 0.2325 0.7160 0.089 Uiso 1 1 calc R U . . .
C40 C 0.3364(5) 0.2038(11) 0.7794(6) 0.071(4) Uani 1 1 d D U . . .
H40 H 0.3512 0.1401 0.7626 0.085 Uiso 1 1 calc R U . . .
C41 C 0.3532(5) 0.2427(11) 0.8312(6) 0.067(4) Uani 1 1 d D U . . .
H41 H 0.3794 0.2051 0.8507 0.080 Uiso 1 1 calc R U . . .
C42 C 0.3326(5) 0.3349(10) 0.8551(6) 0.062(4) Uani 1 1 d D U . . .
H42 H 0.3450 0.3621 0.8906 0.074 Uiso 1 1 calc R U . . .
C43 C 0.5593(5) 0.1690(12) 0.3859(6) 0.071(4) Uani 1 1 d D U . . .
H43 H 0.5359 0.1961 0.4132 0.085 Uiso 1 1 calc R U . . .
C44 C 0.5977(5) 0.1025(11) 0.4036(6) 0.066(4) Uani 1 1 d D U . . .
H44 H 0.6003 0.0813 0.4427 0.079 Uiso 1 1 calc R U . . .
C45 C 0.6324(5) 0.0665(12) 0.3642(6) 0.071(4) Uani 1 1 d D U . . .
H45 H 0.6594 0.0206 0.3761 0.085 Uiso 1 1 calc R U . . .
C46 C 0.6281(6) 0.0972(12) 0.3075(7) 0.082(4) Uani 1 1 d D U . . .
H46 H 0.6524 0.0725 0.2807 0.098 Uiso 1 1 calc R U . . .
C47 C 0.5891(5) 0.1632(11) 0.2886(7) 0.084(4) Uani 1 1 d D U . . .
H47 H 0.5863 0.1845 0.2495 0.101 Uiso 1 1 calc R U . . .
C48 C 0.5542(6) 0.1969(13) 0.3292(6) 0.085(5) Uani 1 1 d D U . . .
H48 H 0.5263 0.2400 0.3175 0.102 Uiso 1 1 calc R U . . .
C101 C 0.2965(4) 0.0152(8) 0.4502(5) 0.021(2) Uani 1 1 d . U . . .
C102 C 0.2782(4) 0.1008(8) 0.4161(4) 0.023(2) Uani 1 1 d . U . . .
C103 C 0.2644(4) 0.0782(9) 0.3596(4) 0.024(2) Uani 1 1 d . U . . .
H103 H 0.2514 0.1355 0.3361 0.029 Uiso 1 1 calc R U . . .
C104 C 0.2696(4) -0.0293(9) 0.3371(5) 0.034(3) Uani 1 1 d . U . . .
H104 H 0.2608 -0.0447 0.2984 0.040 Uiso 1 1 calc R U . . .
C105 C 0.2878(4) -0.1124(9) 0.3726(4) 0.026(2) Uani 1 1 d . U . . .
H105 H 0.2908 -0.1856 0.3585 0.032 Uiso 1 1 calc R U . . .
C106 C 0.3016(4) -0.0887(9) 0.4284(4) 0.021(2) Uani 1 1 d . U . . .
C107 C 0.2736(4) 0.2089(8) 0.4434(4) 0.025(2) Uani 1 1 d . U . . .
H107 H 0.2622 0.2707 0.4219 0.030 Uiso 1 1 calc R U . . .
C108 C 0.2822(4) 0.3297(8) 0.5251(4) 0.029(2) Uani 1 1 d . U . . .
C109 C 0.2689(5) 0.3071(9) 0.5874(5) 0.049(3) Uani 1 1 d . U . . .
H10D H 0.2357 0.2728 0.5894 0.073 Uiso 1 1 calc R U . . .
H10E H 0.2686 0.3767 0.6088 0.073 Uiso 1 1 calc R U . . .
H10F H 0.2938 0.2573 0.6041 0.073 Uiso 1 1 calc R U . . .
C110 C 0.3335(4) 0.3784(10) 0.5210(6) 0.046(3) Uani 1 1 d . U . . .
H11D H 0.3400 0.4010 0.4813 0.069 Uiso 1 1 calc R U . . .
H11E H 0.3584 0.3234 0.5327 0.069 Uiso 1 1 calc R U . . .
H11F H 0.3358 0.4429 0.5463 0.069 Uiso 1 1 calc R U . . .
C111 C 0.2440(4) 0.4085(9) 0.4976(5) 0.044(3) Uani 1 1 d . U . . .
H11G H 0.2577 0.4380 0.4618 0.065 Uiso 1 1 calc R U . . .
H11H H 0.2369 0.4694 0.5241 0.065 Uiso 1 1 calc R U . . .
H11I H 0.2129 0.3684 0.4895 0.065 Uiso 1 1 calc R U . . .
C112 C 0.3200(4) -0.1716(9) 0.4684(4) 0.026(2) Uani 1 1 d . U . . .
H112 H 0.3247 -0.2457 0.4562 0.031 Uiso 1 1 calc R U . . .
C113 C 0.3480(4) -0.2266(8) 0.5630(5) 0.029(2) Uani 1 1 d . U . . .
C114 C 0.3865(4) -0.3045(9) 0.5345(5) 0.045(3) Uani 1 1 d . U . . .
H11J H 0.3697 -0.3491 0.5051 0.067 Uiso 1 1 calc R U . . .
H11K H 0.4010 -0.3532 0.5637 0.067 Uiso 1 1 calc R U . . .
H11L H 0.4131 -0.2607 0.5166 0.067 Uiso 1 1 calc R U . . .
C115 C 0.3718(5) -0.1652(10) 0.6131(5) 0.042(3) Uani 1 1 d . U . . .
H11M H 0.4004 -0.1219 0.5992 0.064 Uiso 1 1 calc R U . . .
H11N H 0.3834 -0.2185 0.6418 0.064 Uiso 1 1 calc R U . . .
H11O H 0.3470 -0.1158 0.6304 0.064 Uiso 1 1 calc R U . . .
C116 C 0.3022(4) -0.2919(10) 0.5846(6) 0.045(3) Uani 1 1 d . U . . .
H11P H 0.2767 -0.2404 0.5986 0.068 Uiso 1 1 calc R U . . .
H11Q H 0.3124 -0.3412 0.6158 0.068 Uiso 1 1 calc R U . . .
H11R H 0.2883 -0.3356 0.5530 0.068 Uiso 1 1 calc R U . . .
C117 C 0.3979(5) 0.1415(12) 0.6414(5) 0.049(3) Uani 1 1 d . U . . .
H11S H 0.3940 0.0639 0.6378 0.058 Uiso 1 1 calc R U . E 1
H11T H 0.3724 0.1843 0.6590 0.058 Uiso 1 1 calc R U . E 1
C120 C 0.5241(4) 0.1778(10) 0.5669(6) 0.051(4) Uani 1 1 d D U . . .
H12A H 0.5278 0.1396 0.5301 0.077 Uiso 1 1 calc R U . F 1
H12B H 0.5532 0.1620 0.5913 0.077 Uiso 1 1 calc R U . F 1
H12C H 0.5218 0.2575 0.5602 0.077 Uiso 1 1 calc R U . F 1
C121 C 0.1854(4) 0.0266(14) 0.5196(6) 0.062(4) Uani 1 1 d . U . . .
H12D H 0.2012 0.0958 0.5262 0.075 Uiso 1 1 calc R U . G 1
H12E H 0.1902 -0.0107 0.4842 0.075 Uiso 1 1 calc R U . G 1
C124 C 0.1284(5) -0.0304(10) 0.6636(6) 0.048(3) Uani 1 1 d D U . . .
H12F H 0.0943 -0.0056 0.6722 0.073 Uiso 1 1 calc R U . H 1
H12G H 0.1500 -0.0167 0.6968 0.073 Uiso 1 1 calc R U . H 1
H12H H 0.1280 -0.1096 0.6550 0.073 Uiso 1 1 calc R U . H 1
C18 C 0.5845(10) 0.482(3) 0.2705(15) 0.043(4) Uani 0.501(13) 1 d . U P I 1
H18 H 0.6009 0.4129 0.2720 0.052 Uiso 0.501(13) 1 calc R U P I 1
C19 C 0.5931(9) 0.553(2) 0.2193(9) 0.043(4) Uani 0.501(13) 1 d D U P I 1
H19 H 0.5850 0.6286 0.2234 0.051 Uiso 0.501(13) 1 calc R U P I 1
C22 C 0.2995(9) 0.629(2) 0.2000(10) 0.033(3) Uani 0.501(13) 1 d . U P I 1
H22 H 0.2836 0.5690 0.1810 0.039 Uiso 0.501(13) 1 calc R U P I 1
C23 C 0.2724(6) 0.696(2) 0.2362(10) 0.034(4) Uani 0.501(13) 1 d D U P I 1
H23 H 0.2892 0.7605 0.2486 0.041 Uiso 0.501(13) 1 calc R U P I 1
C118 C 0.4449(8) 0.197(2) 0.6189(9) 0.036(3) Uani 0.554(12) 1 d . U P J 1
H118 H 0.4492 0.2746 0.6222 0.043 Uiso 0.554(12) 1 calc R U P J 1
C119 C 0.4777(7) 0.139(2) 0.5960(10) 0.039(4) Uani 0.554(12) 1 d D U P J 1
H119 H 0.4726 0.0615 0.5972 0.047 Uiso 0.554(12) 1 calc R U P J 1
C122 C 0.1579(9) -0.016(2) 0.5582(12) 0.033(4) Uani 0.554(12) 1 d . U P J 1
H122 H 0.1427 -0.0852 0.5502 0.039 Uiso 0.554(12) 1 calc R U P J 1
C123 C 0.1484(7) 0.0326(18) 0.6120(7) 0.033(3) Uani 0.554(12) 1 d D U P J 1
H123 H 0.1548 0.1092 0.6163 0.040 Uiso 0.554(12) 1 calc R U P J 1
C18A C 0.5875(10) 0.532(3) 0.2602(14) 0.043(4) Uani 0.499(13) 1 d . U P I 2
H18A H 0.6106 0.5908 0.2637 0.052 Uiso 0.499(13) 1 calc R U P I 2
C19A C 0.5869(9) 0.479(2) 0.2078(11) 0.043(4) Uani 0.499(13) 1 d . U P I 2
H19A H 0.5676 0.4141 0.2036 0.051 Uiso 0.499(13) 1 calc R U P I 2
C22A C 0.3024(9) 0.699(2) 0.2106(10) 0.033(3) Uani 0.499(13) 1 d . U P I 2
H22A H 0.2987 0.7762 0.2057 0.039 Uiso 0.499(13) 1 calc R U P I 2
C23A C 0.2626(8) 0.639(2) 0.2364(11) 0.034(4) Uani 0.499(13) 1 d . U P I 2
H23A H 0.2662 0.5608 0.2379 0.041 Uiso 0.499(13) 1 calc R U P I 2
C18D C 0.4455(10) 0.116(2) 0.6310(11) 0.036(3) Uani 0.446(12) 1 d . U P J 2
H18D H 0.4622 0.0552 0.6479 0.043 Uiso 0.446(12) 1 calc R U P J 2
C19D C 0.4686(11) 0.190(3) 0.5919(15) 0.039(4) Uani 0.446(12) 1 d . U P J 2
H19D H 0.4495 0.2515 0.5796 0.047 Uiso 0.446(12) 1 calc R U P J 2
C23D C 0.1566(9) -0.046(2) 0.6131(11) 0.033(3) Uani 0.446(12) 1 d . U P J 2
H23D H 0.1776 -0.1094 0.6106 0.040 Uiso 0.446(12) 1 calc R U P J 2
C22D C 0.1552(12) 0.021(3) 0.5697(15) 0.033(4) Uani 0.446(12) 1 d . U P J 2
H22D H 0.1298 0.0763 0.5719 0.039 Uiso 0.446(12) 1 calc R U P J 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
Sb1 C1 2.088(12) . ?
Sb1 N2 2.388(8) . ?
Sb1 N1 2.423(8) . ?
Sb1 Pd1 2.5595(10) . ?
Sb1 Pd2 2.5772(10) . ?
C1 C2 1.375(14) . ?
C1 C6 1.394(14) . ?
N1 C7 1.302(12) . ?
N1 C8 1.487(13) . ?
Cl1 Pd1 2.365(3) . ?
Pd1 C17 2.132(15) . ?
Pd1 C18A 2.13(3) . ?
Pd1 C18 2.18(3) . ?
Pd1 C19A 2.24(2) . ?
Pd1 C19 2.28(2) . ?
Pd3 C117 2.117(12) . ?
Pd3 C18D 2.13(2) . ?
Pd3 C19D 2.19(3) . ?
Pd3 C118 2.18(2) . ?
Pd3 C119 2.24(2) . ?
Pd3 Cl3 2.356(3) . ?
Pd3 Sb2 2.5795(9) . ?
C3 C4 1.351(15) . ?
C3 C2 1.410(14) . ?
C3 H3 0.9500 . ?
N3 C107 1.274(11) . ?
N3 C108 1.498(12) . ?
N3 Sb2 2.429(8) . ?
Pd4 C121 2.109(14) . ?
Pd4 C22D 2.11(3) . ?
Pd4 C23D 2.17(2) . ?
Pd4 C122 2.15(3) . ?
Pd4 C123 2.277(19) . ?
Pd4 Cl4 2.355(3) . ?
Pd4 Sb2 2.5671(10) . ?
C4 C5 1.392(15) . ?
C4 H4 0.9500 . ?
N4 C112 1.289(12) . ?
N4 C113 1.494(12) . ?
N4 Sb2 2.364(8) . ?
C9 C8 1.530(15) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 C11 1.510(15) . ?
C8 C10 1.536(15) . ?
C7 C2 1.424(14) . ?
C7 H7 0.9500 . ?
C6 C5 1.413(14) . ?
C6 C12 1.464(14) . ?
C5 H5 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C14 C13 1.509(14) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 N2 1.488(13) . ?
C13 C15 1.508(15) . ?
C13 C16 1.511(15) . ?
C12 N2 1.261(13) . ?
C12 H12 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.26(3) . ?
C17 C18A 1.48(3) . ?
C17 H17A 0.9500 . ?
C17 H17B 0.9500 . ?
C20 C19A 1.37(3) . ?
C20 C19 1.508(13) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.32(2) . ?
C21 C22A 1.43(3) . ?
C21 Pd2 2.107(11) . ?
C21 H21A 0.9500 . ?
C21 H21B 0.9500 . ?
C25 C26 1.358(11) . ?
C25 C30 1.365(11) . ?
C25 H25 0.9500 . ?
C24 C23A 1.36(2) . ?
C24 C23 1.509(12) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 C27 1.376(11) . ?
C26 H26 0.9500 . ?
C28 C29 1.375(11) . ?
C28 C27 1.390(11) . ?
C28 H28 0.9500 . ?
C27 H27 0.9500 . ?
C29 C30 1.353(11) . ?
C29 H29 0.9500 . ?
Sb2 C101 2.096(11) . ?
Cl2 Pd2 2.357(3) . ?
Pd2 C22 2.13(2) . ?
Pd2 C22A 2.15(2) . ?
Pd2 C23A 2.28(2) . ?
Pd2 C23 2.28(2) . ?
C30 H30 0.9500 . ?
C31 C36 1.359(11) . ?
C31 C32 1.375(11) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.375(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.377(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.366(11) . ?
C37 C42 1.364(11) . ?
C37 H37 0.9500 . ?
C38 C39 1.381(11) . ?
C38 H38 0.9500 . ?
C39 C40 1.370(11) . ?
C39 H39 0.9500 . ?
C40 C41 1.371(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.364(11) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.366(11) . ?
C43 C48 1.370(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.376(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.378(11) . ?
C45 H45 0.9500 . ?
C46 C47 1.384(11) . ?
C46 H46 0.9500 . ?
C47 C48 1.388(11) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C101 C106 1.365(14) . ?
C101 C102 1.396(14) . ?
C102 C103 1.393(13) . ?
C102 C107 1.461(14) . ?
C103 C104 1.412(15) . ?
C103 H103 0.9500 . ?
C104 C105 1.391(15) . ?
C104 H104 0.9500 . ?
C105 C106 1.379(14) . ?
C105 H105 0.9500 . ?
C106 C112 1.456(14) . ?
C107 H107 0.9500 . ?
C108 C110 1.495(14) . ?
C108 C109 1.519(15) . ?
C108 C111 1.536(14) . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C112 H112 0.9500 . ?
C113 C115 1.523(15) . ?
C113 C114 1.544(14) . ?
C113 C116 1.541(15) . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C115 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
C116 H11Q 0.9800 . ?
C116 H11R 0.9800 . ?
C117 C18D 1.33(3) . ?
C117 C118 1.52(3) . ?
C117 H11S 0.9500 . ?
C117 H11T 0.9500 . ?
C120 C119 1.487(12) . ?
C120 C19D 1.60(3) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 C122 1.27(3) . ?
C121 C22D 1.42(4) . ?
C121 H12D 0.9500 . ?
C121 H12E 0.9500 . ?
C124 C23D 1.41(3) . ?
C124 C123 1.521(12) . ?
C124 H12F 0.9800 . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C18 C19 1.48(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C22 C23 1.38(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C118 C119 1.24(3) . ?
C118 H118 0.9500 . ?
C119 H119 0.9500 . ?
C122 C123 1.41(3) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C18A C19A 1.38(4) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9500 . ?
C22A C23A 1.42(4) . ?
C22A H22A 0.9500 . ?
C23A H23A 0.9500 . ?
C18D C19D 1.41(4) . ?
C18D H18D 0.9500 . ?
C19D H19D 0.9500 . ?
C23D C22D 1.30(5) . ?
C23D H23D 0.9500 . ?
C22D H22D 0.9500 . ?

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
C1 Sb1 N2 74.1(4) . . ?
C1 Sb1 N1 73.0(3) . . ?
N2 Sb1 N1 147.0(3) . . ?
C1 Sb1 Pd1 107.9(3) . . ?
N2 Sb1 Pd1 97.31(19) . . ?
N1 Sb1 Pd1 92.30(19) . . ?
C1 Sb1 Pd2 114.1(3) . . ?
N2 Sb1 Pd2 96.60(19) . . ?
N1 Sb1 Pd2 97.11(19) . . ?
Pd1 Sb1 Pd2 137.88(4) . . ?
C2 C1 C6 121.1(11) . . ?
C2 C1 Sb1 120.3(8) . . ?
C6 C1 Sb1 118.2(8) . . ?
C7 N1 C8 122.5(9) . . ?
C7 N1 Sb1 109.9(6) . . ?
C8 N1 Sb1 127.5(6) . . ?
C17 Pd1 C18A 40.8(9) . . ?
C17 Pd1 C18 33.8(9) . . ?
C17 Pd1 C19A 72.4(8) . . ?
C18A Pd1 C19A 36.6(11) . . ?
C17 Pd1 C19 66.6(7) . . ?
C18 Pd1 C19 38.7(11) . . ?
C17 Pd1 Cl1 167.1(4) . . ?
C18A Pd1 Cl1 126.5(9) . . ?
C18 Pd1 Cl1 133.6(9) . . ?
C19A Pd1 Cl1 95.0(7) . . ?
C19 Pd1 Cl1 100.8(6) . . ?
C17 Pd1 Sb1 94.4(4) . . ?
C18A Pd1 Sb1 133.3(9) . . ?
C18 Pd1 Sb1 127.5(9) . . ?
C19A Pd1 Sb1 164.9(6) . . ?
C19 Pd1 Sb1 154.5(5) . . ?
Cl1 Pd1 Sb1 98.46(8) . . ?
C117 Pd3 C18D 36.5(8) . . ?
C117 Pd3 C19D 64.0(9) . . ?
C18D Pd3 C19D 38.2(12) . . ?
C117 Pd3 C118 41.2(7) . . ?
C117 Pd3 C119 66.1(6) . . ?
C118 Pd3 C119 32.7(8) . . ?
C117 Pd3 Cl3 166.8(3) . . ?
C18D Pd3 Cl3 130.9(7) . . ?
C19D Pd3 Cl3 103.2(9) . . ?
C118 Pd3 Cl3 126.4(6) . . ?
C119 Pd3 Cl3 100.6(5) . . ?
C117 Pd3 Sb2 96.9(3) . . ?
C18D Pd3 Sb2 129.0(7) . . ?
C19D Pd3 Sb2 158.7(8) . . ?
C118 Pd3 Sb2 135.5(6) . . ?
C119 Pd3 Sb2 161.0(5) . . ?
Cl3 Pd3 Sb2 96.21(8) . . ?
C4 C3 C2 119.5(11) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C107 N3 C108 120.8(8) . . ?
C107 N3 Sb2 111.2(7) . . ?
C108 N3 Sb2 127.9(6) . . ?
C121 Pd4 C22D 39.3(10) . . ?
C121 Pd4 C23D 70.6(8) . . ?
C22D Pd4 C23D 35.5(12) . . ?
C121 Pd4 C122 34.7(9) . . ?
C121 Pd4 C123 65.2(6) . . ?
C122 Pd4 C123 36.9(8) . . ?
C121 Pd4 Cl4 167.1(4) . . ?
C22D Pd4 Cl4 127.8(10) . . ?
C23D Pd4 Cl4 96.9(7) . . ?
C122 Pd4 Cl4 132.8(8) . . ?
C123 Pd4 Cl4 102.1(5) . . ?
C121 Pd4 Sb2 93.9(4) . . ?
C22D Pd4 Sb2 132.6(10) . . ?
C23D Pd4 Sb2 160.6(6) . . ?
C122 Pd4 Sb2 127.5(7) . . ?
C123 Pd4 Sb2 154.8(4) . . ?
Cl4 Pd4 Sb2 98.95(9) . . ?
C3 C4 C5 122.8(11) . . ?
C3 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
C112 N4 C113 120.7(8) . . ?
C112 N4 Sb2 111.6(7) . . ?
C113 N4 Sb2 127.6(6) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C8 C11 107.6(9) . . ?
N1 C8 C9 112.1(9) . . ?
C11 C8 C9 110.8(9) . . ?
N1 C8 C10 106.9(9) . . ?
C11 C8 C10 110.2(10) . . ?
C9 C8 C10 109.1(10) . . ?
N1 C7 C2 120.0(9) . . ?
N1 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C1 C6 C5 119.4(10) . . ?
C1 C6 C12 116.7(10) . . ?
C5 C6 C12 123.8(10) . . ?
C4 C5 C6 117.9(10) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C13 C14 110.1(9) . . ?
N2 C13 C15 107.5(9) . . ?
C14 C13 C15 112.4(10) . . ?
N2 C13 C16 109.3(8) . . ?
C14 C13 C16 109.2(10) . . ?
C15 C13 C16 108.4(10) . . ?
N2 C12 C6 119.0(10) . . ?
N2 C12 H12 120.5 . . ?
C6 C12 H12 120.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Pd1 75.3(16) . . ?
C18A C17 Pd1 69.4(13) . . ?
C18 C17 H17A 120.0 . . ?
Pd1 C17 H17A 68.6 . . ?
C18 C17 H17B 120.0 . . ?
Pd1 C17 H17B 128.2 . . ?
H17A C17 H17B 120.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Pd2 72.9(11) . . ?
C22A C21 Pd2 72.2(10) . . ?
C22 C21 H21A 120.0 . . ?
Pd2 C21 H21A 76.3 . . ?
C22 C21 H21B 120.0 . . ?
Pd2 C21 H21B 122.0 . . ?
H21A C21 H21B 120.0 . . ?
C26 C25 C30 120.3(15) . . ?
C26 C25 H25 119.8 . . ?
C30 C25 H25 119.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.4 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 C26 C27 119.8(14) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.0 . . ?
C29 C28 C27 120.3(15) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.9 . . ?
C26 C27 C28 119.2(14) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 H27 120.4 . . ?
C30 C29 C28 119.0(16) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C101 Sb2 N4 73.5(3) . . ?
C101 Sb2 N3 73.3(3) . . ?
N4 Sb2 N3 146.9(3) . . ?
C101 Sb2 Pd4 106.5(3) . . ?
N4 Sb2 Pd4 94.85(19) . . ?
N3 Sb2 Pd4 94.55(18) . . ?
C101 Sb2 Pd3 112.7(3) . . ?
N4 Sb2 Pd3 96.6(2) . . ?
N3 Sb2 Pd3 95.93(18) . . ?
Pd4 Sb2 Pd3 140.81(4) . . ?
C1 C2 C3 119.2(10) . . ?
C1 C2 C7 116.7(10) . . ?
C3 C2 C7 124.1(10) . . ?
C12 N2 C13 121.6(9) . . ?
C12 N2 Sb1 111.9(7) . . ?
C13 N2 Sb1 126.5(7) . . ?
C21 Pd2 C22 36.3(7) . . ?
C21 Pd2 C22A 39.2(7) . . ?
C21 Pd2 C23A 69.3(7) . . ?
C22A Pd2 C23A 37.2(10) . . ?
C21 Pd2 C23 64.3(6) . . ?
C22 Pd2 C23 36.2(9) . . ?
C21 Pd2 Cl2 168.1(3) . . ?
C22 Pd2 Cl2 132.3(6) . . ?
C22A Pd2 Cl2 129.6(7) . . ?
C23A Pd2 Cl2 98.9(6) . . ?
C23 Pd2 Cl2 104.1(5) . . ?
C21 Pd2 Sb1 95.8(3) . . ?
C22 Pd2 Sb1 128.7(6) . . ?
C22A Pd2 Sb1 133.0(6) . . ?
C23A Pd2 Sb1 161.6(6) . . ?
C23 Pd2 Sb1 158.6(5) . . ?
Cl2 Pd2 Sb1 96.00(7) . . ?
C29 C30 C25 121.4(15) . . ?
C29 C30 H30 119.3 . . ?
C25 C30 H30 119.3 . . ?
C36 C31 C32 120.4(13) . . ?
C36 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C33 120.2(13) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C34 119.4(12) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 119.4(12) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.7(12) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C31 C36 C35 119.9(12) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C38 C37 C42 120.1(15) . . ?
C38 C37 H37 120.0 . . ?
C42 C37 H37 119.9 . . ?
C37 C38 C39 119.6(16) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C40 C39 C38 120.4(15) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C41 C40 C39 119.0(14) . . ?
C41 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
C42 C41 C40 120.7(14) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 H41 119.6 . . ?
C37 C42 C41 120.2(14) . . ?
C37 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C44 C43 C48 120.7(15) . . ?
C44 C43 H43 119.6 . . ?
C48 C43 H43 119.6 . . ?
C43 C44 C45 119.4(15) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C46 C45 C44 119.8(15) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C45 C46 C47 121.6(16) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 H46 119.2 . . ?
C46 C47 C48 117.2(16) . . ?
C46 C47 H47 121.4 . . ?
C48 C47 H47 121.4 . . ?
C43 C48 C47 121.1(15) . . ?
C43 C48 H48 119.4 . . ?
C47 C48 H48 119.4 . . ?
C106 C101 C102 120.5(10) . . ?
C106 C101 Sb2 120.0(8) . . ?
C102 C101 Sb2 119.4(7) . . ?
C103 C102 C101 119.0(10) . . ?
C103 C102 C107 124.4(9) . . ?
C101 C102 C107 116.6(9) . . ?
C102 C103 C104 120.4(10) . . ?
C102 C103 H103 119.8 . . ?
C104 C103 H103 119.8 . . ?
C105 C104 C103 118.8(10) . . ?
C105 C104 H104 120.6 . . ?
C103 C104 H104 120.6 . . ?
C106 C105 C104 120.1(10) . . ?
C106 C105 H105 119.9 . . ?
C104 C105 H105 119.9 . . ?
C101 C106 C105 121.1(10) . . ?
C101 C106 C112 115.5(10) . . ?
C105 C106 C112 123.3(10) . . ?
N3 C107 C102 119.4(9) . . ?
N3 C107 H107 120.3 . . ?
C102 C107 H107 120.3 . . ?
C110 C108 N3 106.3(8) . . ?
C110 C108 C109 110.2(10) . . ?
N3 C108 C109 106.2(8) . . ?
C110 C108 C111 109.6(9) . . ?
N3 C108 C111 113.6(9) . . ?
C109 C108 C111 110.8(10) . . ?
C108 C109 H10D 109.5 . . ?
C108 C109 H10E 109.5 . . ?
H10D C109 H10E 109.5 . . ?
C108 C109 H10F 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
C108 C110 H11D 109.5 . . ?
C108 C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
C108 C110 H11F 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C108 C111 H11G 109.5 . . ?
C108 C111 H11H 109.5 . . ?
H11G C111 H11H 109.5 . . ?
C108 C111 H11I 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
N4 C112 C106 119.3(9) . . ?
N4 C112 H112 120.3 . . ?
C106 C112 H112 120.3 . . ?
N4 C113 C115 108.3(8) . . ?
N4 C113 C114 110.2(8) . . ?
C115 C113 C114 110.6(9) . . ?
N4 C113 C116 107.6(8) . . ?
C115 C113 C116 109.4(10) . . ?
C114 C113 C116 110.7(9) . . ?
C113 C114 H11J 109.5 . . ?
C113 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C113 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C113 C115 H11M 109.5 . . ?
C113 C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
C113 C115 H11O 109.5 . . ?
H11M C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
C113 C116 H11P 109.5 . . ?
C113 C116 H11Q 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
C113 C116 H11R 109.5 . . ?
H11P C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
C18D C117 Pd3 72.2(12) . . ?
C118 C117 Pd3 71.7(9) . . ?
C118 C117 H11S 120.0 . . ?
Pd3 C117 H11S 73.7 . . ?
C118 C117 H11T 120.0 . . ?
Pd3 C117 H11T 126.5 . . ?
H11S C117 H11T 120.0 . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C122 C121 Pd4 74.3(14) . . ?
C22D C121 Pd4 70.3(15) . . ?
C122 C121 H12D 120.0 . . ?
Pd4 C121 H12D 72.1 . . ?
C122 C121 H12E 120.0 . . ?
Pd4 C121 H12E 125.4 . . ?
H12D C121 H12E 120.0 . . ?
C123 C124 H12F 109.5 . . ?
C123 C124 H12G 109.5 . . ?
H12F C124 H12G 109.5 . . ?
C123 C124 H12H 109.5 . . ?
H12F C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C17 C18 C19 124(3) . . ?
C17 C18 Pd1 70.8(14) . . ?
C19 C18 Pd1 74.3(15) . . ?
C17 C18 H18 117.8 . . ?
C19 C18 H18 117.8 . . ?
Pd1 C18 H18 130.0 . . ?
C20 C19 C18 128(2) . . ?
C20 C19 Pd1 118.5(14) . . ?
C18 C19 Pd1 67.0(13) . . ?
C20 C19 H19 116.0 . . ?
C18 C19 H19 116.0 . . ?
Pd1 C19 H19 84.3 . . ?
C21 C22 C23 120(2) . . ?
C21 C22 Pd2 70.7(11) . . ?
C23 C22 Pd2 77.6(14) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
Pd2 C22 H22 122.9 . . ?
C22 C23 C24 130(2) . . ?
C22 C23 Pd2 66.2(12) . . ?
C24 C23 Pd2 120.7(13) . . ?
C22 C23 H23 115.2 . . ?
C24 C23 H23 115.2 . . ?
Pd2 C23 H23 82.8 . . ?
C119 C118 C117 119(2) . . ?
C119 C118 Pd3 75.9(15) . . ?
C117 C118 Pd3 67.0(9) . . ?
C119 C118 H118 120.7 . . ?
C117 C118 H118 120.7 . . ?
Pd3 C118 H118 128.4 . . ?
C118 C119 C120 127(2) . . ?
C118 C119 Pd3 71.4(13) . . ?
C120 C119 Pd3 125.5(15) . . ?
C118 C119 H119 116.5 . . ?
C120 C119 H119 116.5 . . ?
Pd3 C119 H119 72.9 . . ?
C121 C122 C123 124(2) . . ?
C121 C122 Pd4 71.0(13) . . ?
C123 C122 Pd4 76.6(14) . . ?
C121 C122 H122 117.8 . . ?
C123 C122 H122 117.8 . . ?
Pd4 C122 H122 126.7 . . ?
C122 C123 C124 123.8(19) . . ?
C122 C123 Pd4 66.5(13) . . ?
C124 C123 Pd4 116.0(12) . . ?
C122 C123 H123 118.1 . . ?
C124 C123 H123 118.1 . . ?
Pd4 C123 H123 87.6 . . ?
C19A C18A C17 129(3) . . ?
C19A C18A Pd1 76.2(16) . . ?
C17 C18A Pd1 69.8(12) . . ?
C19A C18A H18A 115.5 . . ?
C17 C18A H18A 115.5 . . ?
Pd1 C18A H18A 132.7 . . ?
C20 C19A C18A 122(3) . . ?
C20 C19A Pd1 129.3(16) . . ?
C18A C19A Pd1 67.1(15) . . ?
C20 C19A H19A 118.8 . . ?
C18A C19A H19A 118.8 . . ?
Pd1 C19A H19A 75.3 . . ?
C23A C22A C21 123(2) . . ?
C23A C22A Pd2 76.4(14) . . ?
C21 C22A Pd2 68.6(10) . . ?
C23A C22A H22A 118.6 . . ?
C21 C22A H22A 118.6 . . ?
Pd2 C22A H22A 128.8 . . ?
C24 C23A C22A 127(2) . . ?
C24 C23A Pd2 129.0(16) . . ?
C22A C23A Pd2 66.5(12) . . ?
C24 C23A H23A 116.7 . . ?
C22A C23A H23A 116.7 . . ?
Pd2 C23A H23A 75.2 . . ?
C117 C18D C19D 113(3) . . ?
C117 C18D Pd3 71.3(12) . . ?
C19D C18D Pd3 73.3(16) . . ?
C117 C18D H18D 123.6 . . ?
C19D C18D H18D 123.6 . . ?
Pd3 C18D H18D 123.3 . . ?
C18D C19D C120 125(3) . . ?
C18D C19D Pd3 68.5(14) . . ?
C120 C19D Pd3 121.9(18) . . ?
C18D C19D H19D 117.3 . . ?
C120 C19D H19D 117.2 . . ?
Pd3 C19D H19D 79.8 . . ?
C22D C23D C124 123(3) . . ?
C22D C23D Pd4 69.8(18) . . ?
C124 C23D Pd4 129.1(16) . . ?
C22D C23D H23D 118.5 . . ?
C124 C23D H23D 118.5 . . ?
Pd4 C23D H23D 72.5 . . ?
C23D C22D C121 130(3) . . ?
C23D C22D Pd4 75(2) . . ?
C121 C22D Pd4 70.4(14) . . ?
C23D C22D H22D 114.8 . . ?
C121 C22D H22D 114.8 . . ?
Pd4 C22D H22D 135.7 . . ?

_refine_diff_density_max         0.921
_refine_diff_density_min         -1.376
_refine_diff_density_rms         0.178

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ld190107Sb1
_database_code_depnum_ccdc_archive 'CCDC 1908188'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H28 Cl N2 Pd Sb'
_chemical_formula_sum            'C19 H28 Cl N2 Pd Sb'
_chemical_formula_weight         548.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.2454(7)
_cell_length_b                   16.0559(7)
_cell_length_c                   17.8662(8)
_cell_angle_alpha                90
_cell_angle_beta                 113.1910(10)
_cell_angle_gamma                90
_cell_volume                     4283.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    125927
_cell_measurement_theta_min      1
_cell_measurement_theta_max      32

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_F_000             2160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    2.229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5842
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.783
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            123966
_diffrn_reflns_av_unetI/netI     0.0828
_diffrn_reflns_av_R_equivalents  0.0926
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.480
_diffrn_reflns_theta_max         31.900
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.929
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13698
_reflns_number_gt                8821
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0046P)²+21.0716P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13698
_refine_ls_number_parameters     475
_refine_ls_number_restraints     517
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.0852
_refine_ls_wR_factor_gt          0.0689
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Sb1 Sb 0.86596(2) 0.80712(2) 0.62396(2) 0.02374(7) Uani 1 1 d . U . . .
Pd1 Pd 0.99432(2) 0.91314(2) 0.68943(2) 0.02320(8) Uani 1 1 d . U . . .
Cl1 Cl 1.00445(8) 0.88910(8) 0.82365(7) 0.0333(3) Uani 1 1 d . U . . .
N1 N 0.9762(2) 0.7173(2) 0.6048(2) 0.0250(8) Uani 1 1 d . U . . .
C1 C 0.8413(3) 0.8090(3) 0.4995(3) 0.0234(9) Uani 1 1 d . U . . .
Pd2 Pd 0.49127(2) 0.61347(2) 0.68565(2) 0.02471(8) Uani 1 1 d . U . . .
Sb2 Sb 0.33450(2) 0.64413(2) 0.68030(2) 0.02343(7) Uani 1 1 d . U . . .
Cl2 Cl 0.52832(9) 0.51568(9) 0.79344(8) 0.0430(3) Uani 1 1 d . U . . .
N2 N 0.7422(2) 0.9005(2) 0.5601(2) 0.0231(8) Uani 1 1 d . U . . .
C2 C 0.8933(3) 0.7617(3) 0.4700(3) 0.0255(9) Uani 1 1 d . U . . .
N3 N 0.3766(3) 0.7755(2) 0.7476(2) 0.0304(9) Uani 1 1 d . U . . .
C3 C 0.8745(3) 0.7619(3) 0.3862(3) 0.0307(10) Uani 1 1 d . U . . .
H3 H 0.9104 0.7303 0.3655 0.037 Uiso 1 1 calc R U . . .
N4 N 0.2586(2) 0.5753(2) 0.5521(2) 0.0259(8) Uani 1 1 d . U . . .
C4 C 0.8037(3) 0.8084(3) 0.3341(3) 0.0334(11) Uani 1 1 d . U . . .
H4 H 0.7911 0.8084 0.2775 0.040 Uiso 1 1 calc R U . . .
C5 C 0.7503(3) 0.8552(3) 0.3629(3) 0.0318(10) Uani 1 1 d . U . . .
H5 H 0.7019 0.8871 0.3264 0.038 Uiso 1 1 calc R U . . .
C6 C 0.7692(3) 0.8546(3) 0.4461(3) 0.0249(9) Uani 1 1 d . U . . .
C7 C 0.9654(3) 0.7139(3) 0.5300(3) 0.0278(10) Uani 1 1 d . U . . .
H7 H 1.0038 0.6806 0.5138 0.033 Uiso 1 1 calc R U . . .
C8 C 1.0478(3) 0.6700(3) 0.6697(3) 0.0286(10) Uani 1 1 d . U . . .
C9 C 1.0075(3) 0.6379(3) 0.7286(3) 0.0382(12) Uani 1 1 d . U . . .
H9A H 0.9895 0.6853 0.7533 0.057 Uiso 1 1 calc R U . . .
H9B H 1.0523 0.6047 0.7714 0.057 Uiso 1 1 calc R U . . .
H9C H 0.9551 0.6034 0.6988 0.057 Uiso 1 1 calc R U . . .
C10 C 1.1238(3) 0.7305(3) 0.7137(3) 0.0378(12) Uani 1 1 d . U . . .
H10A H 1.1723 0.7010 0.7568 0.057 Uiso 1 1 calc R U . . .
H10B H 1.1016 0.7755 0.7379 0.057 Uiso 1 1 calc R U . . .
H10C H 1.1463 0.7541 0.6748 0.057 Uiso 1 1 calc R U . . .
C11 C 1.0817(3) 0.5963(3) 0.6360(3) 0.0358(11) Uani 1 1 d . U . . .
H11A H 1.0312 0.5604 0.6044 0.054 Uiso 1 1 calc R U . . .
H11B H 1.1249 0.5644 0.6812 0.054 Uiso 1 1 calc R U . . .
H11C H 1.1108 0.6168 0.6009 0.054 Uiso 1 1 calc R U . . .
C12 C 0.7172(3) 0.9019(3) 0.4824(3) 0.0283(10) Uani 1 1 d . U . . .
H12 H 0.6660 0.9330 0.4492 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6921(3) 0.9430(4) 0.6026(3) 0.0389(12) Uani 1 1 d . U . . .
C17 C 1.0103(4) 0.9358(3) 0.5804(3) 0.0432(13) Uani 1 1 d . U . . .
H17A H 1.0262 0.8792 0.5942 0.052 Uiso 1 1 calc R U . . .
H17B H 0.9638 0.9493 0.5295 0.052 Uiso 1 1 calc R U . . .
C18 C 1.0555(4) 0.9996(3) 0.6354(3) 0.0408(12) Uani 1 1 d . U . . .
H18 H 1.0392 1.0560 0.6212 0.049 Uiso 1 1 calc R U . . .
C19 C 1.1225(4) 0.9814(4) 0.7087(4) 0.0428(13) Uani 1 1 d . U . . .
H19A H 1.1391 0.9251 0.7233 0.051 Uiso 1 1 calc R U . . .
H19B H 1.1524 1.0251 0.7452 0.051 Uiso 1 1 calc R U . . .
C20 C 0.2722(3) 0.7360(3) 0.5931(3) 0.0245(9) Uani 1 1 d . U . . .
C21 C 0.2797(3) 0.8198(3) 0.6169(3) 0.0291(10) Uani 1 1 d . U . . .
C22 C 0.2306(4) 0.8805(3) 0.5613(3) 0.0372(11) Uani 1 1 d . U . . .
H22 H 0.2362 0.9374 0.5770 0.045 Uiso 1 1 calc R U . . .
C23 C 0.1741(4) 0.8579(3) 0.4838(3) 0.0405(12) Uani 1 1 d . U . . .
H23 H 0.1404 0.8995 0.4464 0.049 Uiso 1 1 calc R U . . .
C24 C 0.1656(3) 0.7749(3) 0.4595(3) 0.0379(12) Uani 1 1 d . U . . .
H24 H 0.1259 0.7597 0.4061 0.046 Uiso 1 1 calc R U . . .
C25 C 0.2161(3) 0.7140(3) 0.5145(3) 0.0296(10) Uani 1 1 d . U . . .
C26 C 0.3384(3) 0.8368(3) 0.7011(3) 0.0345(11) Uani 1 1 d . U . . .
H26 H 0.3481 0.8923 0.7211 0.041 Uiso 1 1 calc R U . . .
C27 C 0.4398(4) 0.7872(3) 0.8332(3) 0.0438(13) Uani 1 1 d . U . . .
C28 C 0.4267(5) 0.7149(4) 0.8820(4) 0.066(2) Uani 1 1 d . U . . .
H28A H 0.4366 0.6623 0.8589 0.099 Uiso 1 1 calc R U . . .
H28B H 0.3656 0.7161 0.8800 0.099 Uiso 1 1 calc R U . . .
H28C H 0.4695 0.7195 0.9387 0.099 Uiso 1 1 calc R U . . .
C29 C 0.5344(4) 0.7853(5) 0.8344(4) 0.0664(19) Uani 1 1 d . U . . .
H29A H 0.5432 0.7333 0.8099 0.100 Uiso 1 1 calc R U . . .
H29B H 0.5783 0.7889 0.8907 0.100 Uiso 1 1 calc R U . . .
H29C H 0.5423 0.8327 0.8032 0.100 Uiso 1 1 calc R U . . .
C30 C 0.4241(5) 0.8699(4) 0.8686(4) 0.0577(17) Uani 1 1 d . U . . .
H30A H 0.4391 0.9163 0.8406 0.087 Uiso 1 1 calc R U . . .
H30B H 0.4622 0.8723 0.9269 0.087 Uiso 1 1 calc R U . . .
H30C H 0.3611 0.8740 0.8609 0.087 Uiso 1 1 calc R U . . .
C31 C 0.2115(3) 0.6256(3) 0.4956(3) 0.0311(10) Uani 1 1 d . U . . .
H31 H 0.1748 0.6056 0.4430 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2596(3) 0.4843(3) 0.5366(3) 0.0337(10) Uani 1 1 d D U . . .
C36 C 0.4757(4) 0.6990(4) 0.5925(3) 0.0477(14) Uani 1 1 d . U . . .
H36A H 0.4371 0.6540 0.5664 0.057 Uiso 1 1 calc R U . A 1
H36B H 0.4524 0.7539 0.5881 0.057 Uiso 1 1 calc R U . A 1
C38 C 0.6102(5) 0.6165(5) 0.6502(4) 0.070(2) Uani 1 1 d . U . . .
H38A H 0.5779 0.5673 0.6268 0.084 Uiso 1 1 calc R U . B 1
H38B H 0.6727 0.6138 0.6820 0.084 Uiso 1 1 calc R U . B 1
C14 C 0.748(3) 1.020(3) 0.640(3) 0.048(2) Uani 0.164(14) 1 d . U P C 1
H14A H 0.7486 1.0572 0.5967 0.072 Uiso 0.164(14) 1 calc R U P C 1
H14B H 0.8098 1.0033 0.6739 0.072 Uiso 0.164(14) 1 calc R U P C 1
H14C H 0.7225 1.0495 0.6740 0.072 Uiso 0.164(14) 1 calc R U P C 1
C15 C 0.638(4) 1.037(3) 0.535(3) 0.067(3) Uani 0.164(14) 1 d D U P C 1
H15A H 0.6839 1.0677 0.5233 0.100 Uiso 0.164(14) 1 calc R U P C 1
H15B H 0.6124 1.0743 0.5641 0.100 Uiso 0.164(14) 1 calc R U P C 1
H15C H 0.5910 1.0185 0.4844 0.100 Uiso 0.164(14) 1 calc R U P C 1
C16 C 0.604(4) 0.886(3) 0.588(4) 0.071(3) Uani 0.164(14) 1 d D U P C 1
H16A H 0.5800 0.8650 0.5318 0.106 Uiso 0.164(14) 1 calc R U P C 1
H16B H 0.5588 0.9193 0.5972 0.106 Uiso 0.164(14) 1 calc R U P C 1
H16C H 0.6214 0.8387 0.6258 0.106 Uiso 0.164(14) 1 calc R U P C 1
C33 C 0.1708(8) 0.4532(7) 0.4740(9) 0.048(2) Uani 0.60(2) 1 d . U P D 1
H33A H 0.1568 0.4828 0.4225 0.072 Uiso 0.60(2) 1 calc R U P D 1
H33B H 0.1233 0.4634 0.4939 0.072 Uiso 0.60(2) 1 calc R U P D 1
H33C H 0.1749 0.3933 0.4654 0.072 Uiso 0.60(2) 1 calc R U P D 1
C34 C 0.2750(10) 0.4407(8) 0.6185(7) 0.037(2) Uani 0.60(2) 1 d . U P D 1
H34A H 0.2732 0.3802 0.6110 0.055 Uiso 0.60(2) 1 calc R U P D 1
H34B H 0.2279 0.4575 0.6368 0.055 Uiso 0.60(2) 1 calc R U P D 1
H34C H 0.3336 0.4570 0.6594 0.055 Uiso 0.60(2) 1 calc R U P D 1
C35 C 0.3519(8) 0.4683(8) 0.5325(8) 0.039(2) Uani 0.60(2) 1 d . U P D 1
H35A H 0.3564 0.4096 0.5195 0.058 Uiso 0.60(2) 1 calc R U P D 1
H35B H 0.3997 0.4816 0.5853 0.058 Uiso 0.60(2) 1 calc R U P D 1
H35C H 0.3580 0.5036 0.4902 0.058 Uiso 0.60(2) 1 calc R U P D 1
C37 C 0.5709(8) 0.6838(9) 0.6394(7) 0.0501(19) Uani 0.522(9) 1 d . U P E 1
H37 H 0.6065 0.7310 0.6642 0.060 Uiso 0.522(9) 1 calc R U P E 1
C16A C 0.6548(8) 0.8787(6) 0.6391(7) 0.071(3) Uani 0.836(14) 1 d . U P C 2
H16D H 0.6245 0.8361 0.5983 0.106 Uiso 0.836(14) 1 calc R U P C 2
H16E H 0.6118 0.9043 0.6582 0.106 Uiso 0.836(14) 1 calc R U P C 2
H16F H 0.7034 0.8529 0.6852 0.106 Uiso 0.836(14) 1 calc R U P C 2
C15A C 0.6178(6) 0.9977(7) 0.5475(6) 0.067(3) Uani 0.836(14) 1 d . U P C 2
H15D H 0.6418 1.0364 0.5187 0.100 Uiso 0.836(14) 1 calc R U P C 2
H15E H 0.5920 1.0292 0.5799 0.100 Uiso 0.836(14) 1 calc R U P C 2
H15F H 0.5714 0.9630 0.5078 0.100 Uiso 0.836(14) 1 calc R U P C 2
C14A C 0.7594(5) 0.9926(6) 0.6715(5) 0.048(2) Uani 0.836(14) 1 d . U P C 2
H14D H 0.8040 0.9547 0.7090 0.072 Uiso 0.836(14) 1 calc R U P C 2
H14E H 0.7285 1.0223 0.7008 0.072 Uiso 0.836(14) 1 calc R U P C 2
H14F H 0.7893 1.0328 0.6495 0.072 Uiso 0.836(14) 1 calc R U P C 2
C37A C 0.5401(8) 0.6360(9) 0.5906(8) 0.0501(19) Uani 0.478(9) 1 d . U P E 2
H37A H 0.5279 0.6079 0.5406 0.060 Uiso 0.478(9) 1 calc R U P E 2
C33A C 0.2495(16) 0.4345(14) 0.6066(11) 0.048(2) Uani 0.40(2) 1 d D U P D 2
H33D H 0.1889 0.4421 0.6047 0.072 Uiso 0.40(2) 1 calc R U P D 2
H33E H 0.2933 0.4546 0.6589 0.072 Uiso 0.40(2) 1 calc R U P D 2
H33F H 0.2600 0.3752 0.6005 0.072 Uiso 0.40(2) 1 calc R U P D 2
C34A C 0.3347(12) 0.4659(12) 0.5071(14) 0.037(2) Uani 0.40(2) 1 d D U P D 2
H34D H 0.3409 0.4055 0.5030 0.055 Uiso 0.40(2) 1 calc R U P D 2
H34E H 0.3912 0.4890 0.5460 0.055 Uiso 0.40(2) 1 calc R U P D 2
H34F H 0.3200 0.4914 0.4536 0.055 Uiso 0.40(2) 1 calc R U P D 2
C35A C 0.1918(11) 0.4591(11) 0.4492(8) 0.039(2) Uani 0.40(2) 1 d D U P D 2
H35D H 0.1311 0.4755 0.4423 0.058 Uiso 0.40(2) 1 calc R U P D 2
H35E H 0.1939 0.3987 0.4423 0.058 Uiso 0.40(2) 1 calc R U P D 2
H35F H 0.2079 0.4875 0.4083 0.058 Uiso 0.40(2) 1 calc R U P D 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
Sb1 C1 2.099(4) . ?
Sb1 N2 2.405(4) . ?
Sb1 N1 2.425(4) . ?
Sb1 Pd1 2.5873(5) . ?
Pd1 C17 2.096(5) . ?
Pd1 C18 2.146(5) . ?
Pd1 C19 2.256(5) . ?
Pd1 Cl1 2.3698(12) . ?
N1 C7 1.279(6) . ?
N1 C8 1.488(6) . ?
C1 C2 1.386(6) . ?
C1 C6 1.393(6) . ?
Pd2 C36 2.095(5) . ?
Pd2 C37 2.116(11) . ?
Pd2 C37A 2.169(11) . ?
Pd2 C38 2.257(6) . ?
Pd2 Cl2 2.3713(13) . ?
Pd2 Sb2 2.5586(5) . ?
Sb2 C20 2.094(4) . ?
Sb2 N3 2.391(4) . ?
Sb2 N4 2.401(4) . ?
N2 C12 1.283(6) . ?
N2 C13 1.482(6) . ?
C2 C3 1.406(6) . ?
C2 C7 1.455(6) . ?
N3 C26 1.281(6) . ?
N3 C27 1.480(6) . ?
C3 C4 1.380(7) . ?
C3 H3 0.9500 . ?
N4 C31 1.283(6) . ?
N4 C32 1.489(6) . ?
C4 C5 1.389(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(6) . ?
C5 H5 0.9500 . ?
C6 C12 1.464(6) . ?
C7 H7 0.9500 . ?
C8 C10 1.525(7) . ?
C8 C11 1.525(7) . ?
C8 C9 1.529(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 0.9500 . ?
C13 C16A 1.473(10) . ?
C13 C15A 1.503(10) . ?
C13 C14A 1.511(9) . ?
C13 C14 1.53(5) . ?
C13 C16 1.63(4) . ?
C13 C15 1.92(4) . ?
C17 C18 1.410(7) . ?
C17 H17A 0.9500 . ?
C17 H17B 0.9500 . ?
C18 C19 1.365(8) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9500 . ?
C19 H19B 0.9500 . ?
C20 C25 1.387(6) . ?
C20 C21 1.401(6) . ?
C21 C22 1.396(7) . ?
C21 C26 1.455(7) . ?
C22 C23 1.374(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.400(7) . ?
C24 H24 0.9500 . ?
C25 C31 1.454(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.516(8) . ?
C27 C29 1.529(9) . ?
C27 C30 1.535(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 0.9500 . ?
C32 C33 1.520(11) . ?
C32 C34A 1.536(9) . ?
C32 C33A 1.546(9) . ?
C32 C34 1.550(12) . ?
C32 C35 1.551(12) . ?
C32 C35A 1.569(9) . ?
C36 C37A 1.465(14) . ?
C36 C37 1.461(12) . ?
C36 H36A 0.9500 . ?
C36 H36B 0.9500 . ?
C38 C37 1.230(14) . ?
C38 C37A 1.255(13) . ?
C38 H38A 0.9500 . ?
C38 H38B 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37 0.9500 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C37A H37A 0.9500 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 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
C1 Sb1 N2 73.33(14) . . ?
C1 Sb1 N1 72.71(15) . . ?
N2 Sb1 N1 146.00(12) . . ?
C1 Sb1 Pd1 104.68(12) . . ?
N2 Sb1 Pd1 100.31(8) . . ?
N1 Sb1 Pd1 86.93(9) . . ?
C17 Pd1 C18 38.8(2) . . ?
C17 Pd1 C19 67.2(2) . . ?
C18 Pd1 C19 36.0(2) . . ?
C17 Pd1 Cl1 169.80(17) . . ?
C18 Pd1 Cl1 134.51(16) . . ?
C19 Pd1 Cl1 103.45(15) . . ?
C17 Pd1 Sb1 93.81(15) . . ?
C18 Pd1 Sb1 130.99(15) . . ?
C19 Pd1 Sb1 156.89(15) . . ?
Cl1 Pd1 Sb1 94.17(3) . . ?
C7 N1 C8 122.4(4) . . ?
C7 N1 Sb1 111.6(3) . . ?
C8 N1 Sb1 126.0(3) . . ?
C2 C1 C6 120.2(4) . . ?
C2 C1 Sb1 120.3(3) . . ?
C6 C1 Sb1 119.5(3) . . ?
C36 Pd2 C37 40.6(3) . . ?
C36 Pd2 C37A 40.1(4) . . ?
C36 Pd2 C38 67.2(2) . . ?
C37 Pd2 C38 32.5(4) . . ?
C37A Pd2 C38 32.9(3) . . ?
C36 Pd2 Cl2 172.71(15) . . ?
C37 Pd2 Cl2 132.2(3) . . ?
C37A Pd2 Cl2 133.8(4) . . ?
C38 Pd2 Cl2 105.69(18) . . ?
C36 Pd2 Sb2 92.12(15) . . ?
C37 Pd2 Sb2 129.5(3) . . ?
C37A Pd2 Sb2 127.2(3) . . ?
C38 Pd2 Sb2 159.12(17) . . ?
Cl2 Pd2 Sb2 95.07(4) . . ?
C20 Sb2 N3 73.22(16) . . ?
C20 Sb2 N4 72.47(16) . . ?
N3 Sb2 N4 145.48(13) . . ?
C20 Sb2 Pd2 110.23(12) . . ?
N3 Sb2 Pd2 93.87(10) . . ?
N4 Sb2 Pd2 94.41(9) . . ?
C12 N2 C13 122.9(4) . . ?
C12 N2 Sb1 112.0(3) . . ?
C13 N2 Sb1 124.7(3) . . ?
C1 C2 C3 119.6(4) . . ?
C1 C2 C7 116.3(4) . . ?
C3 C2 C7 124.1(4) . . ?
C26 N3 C27 122.4(4) . . ?
C26 N3 Sb2 112.4(3) . . ?
C27 N3 Sb2 125.2(3) . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C31 N4 C32 121.2(4) . . ?
C31 N4 Sb2 112.6(3) . . ?
C32 N4 Sb2 126.2(3) . . ?
C3 C4 C5 121.3(4) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 118.9(4) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C1 C6 C5 120.4(4) . . ?
C1 C6 C12 116.5(4) . . ?
C5 C6 C12 123.1(4) . . ?
N1 C7 C2 119.1(4) . . ?
N1 C7 H7 120.5 . . ?
C2 C7 H7 120.5 . . ?
N1 C8 C10 107.5(4) . . ?
N1 C8 C11 112.5(4) . . ?
C10 C8 C11 110.7(4) . . ?
N1 C8 C9 107.0(4) . . ?
C10 C8 C9 109.8(4) . . ?
C11 C8 C9 109.2(4) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C6 118.5(4) . . ?
N2 C12 H12 120.7 . . ?
C6 C12 H12 120.7 . . ?
C16A C13 N2 107.9(5) . . ?
C16A C13 C15A 109.7(6) . . ?
N2 C13 C15A 113.2(5) . . ?
C16A C13 C14A 107.5(8) . . ?
N2 C13 C14A 107.1(4) . . ?
C15A C13 C14A 111.3(7) . . ?
N2 C13 C14 104.2(17) . . ?
N2 C13 C16 106.2(16) . . ?
C14 C13 C16 150(2) . . ?
N2 C13 C15 104.5(16) . . ?
C14 C13 C15 71(3) . . ?
C16 C13 C15 101(2) . . ?
C18 C17 Pd1 72.5(3) . . ?
C18 C17 H17A 120.0 . . ?
Pd1 C17 H17A 73.4 . . ?
C18 C17 H17B 120.0 . . ?
Pd1 C17 H17B 125.9 . . ?
H17A C17 H17B 120.0 . . ?
C19 C18 C17 120.9(5) . . ?
C19 C18 Pd1 76.4(3) . . ?
C17 C18 Pd1 68.7(3) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
Pd1 C18 H18 127.4 . . ?
C18 C19 Pd1 67.6(3) . . ?
C18 C19 H19A 120.0 . . ?
Pd1 C19 H19A 74.1 . . ?
C18 C19 H19B 120.0 . . ?
Pd1 C19 H19B 131.0 . . ?
H19A C19 H19B 120.0 . . ?
C25 C20 C21 119.8(4) . . ?
C25 C20 Sb2 120.4(3) . . ?
C21 C20 Sb2 119.5(3) . . ?
C22 C21 C20 119.8(5) . . ?
C22 C21 C26 124.2(5) . . ?
C20 C21 C26 115.9(4) . . ?
C23 C22 C21 120.0(5) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.7(5) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 119.5(5) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C20 C25 C24 120.1(5) . . ?
C20 C25 C31 115.9(4) . . ?
C24 C25 C31 123.9(5) . . ?
N3 C26 C21 118.7(4) . . ?
N3 C26 H26 120.7 . . ?
C21 C26 H26 120.7 . . ?
N3 C27 C28 107.5(4) . . ?
N3 C27 C29 107.2(5) . . ?
C28 C27 C29 110.2(6) . . ?
N3 C27 C30 112.0(5) . . ?
C28 C27 C30 110.0(5) . . ?
C29 C27 C30 109.9(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N4 C31 C25 118.2(4) . . ?
N4 C31 H31 120.9 . . ?
C25 C31 H31 120.9 . . ?
N4 C32 C33 112.5(6) . . ?
N4 C32 C34A 108.7(8) . . ?
N4 C32 C33A 110.1(10) . . ?
C34A C32 C33A 122.0(15) . . ?
N4 C32 C34 106.0(6) . . ?
C33 C32 C34 107.4(6) . . ?
N4 C32 C35 104.6(6) . . ?
C33 C32 C35 124.6(11) . . ?
C34 C32 C35 99.8(9) . . ?
N4 C32 C35A 112.5(7) . . ?
C34A C32 C35A 87.2(14) . . ?
C33A C32 C35A 114.6(10) . . ?
C37A C36 Pd2 72.6(5) . . ?
C37 C36 Pd2 70.5(5) . . ?
C37 C36 H36A 120.0 . . ?
Pd2 C36 H36A 75.0 . . ?
C37 C36 H36B 120.0 . . ?
Pd2 C36 H36B 126.4 . . ?
H36A C36 H36B 120.0 . . ?
C37 C38 Pd2 67.4(6) . . ?
C37A C38 Pd2 69.7(6) . . ?
C37 C38 H38A 120.0 . . ?
Pd2 C38 H38A 73.8 . . ?
C37 C38 H38B 120.0 . . ?
Pd2 C38 H38B 131.6 . . ?
H38A C38 H38B 120.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C37 C36 127.1(12) . . ?
C38 C37 Pd2 80.1(7) . . ?
C36 C37 Pd2 68.9(5) . . ?
C38 C37 H37 116.5 . . ?
C36 C37 H37 116.5 . . ?
Pd2 C37 H37 126.6 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C38 C37A C36 124.8(12) . . ?
C38 C37A Pd2 77.5(6) . . ?
C36 C37A Pd2 67.2(5) . . ?
C38 C37A H37A 117.6 . . ?
C36 C37A H37A 117.6 . . ?
Pd2 C37A H37A 130.7 . . ?
C32 C33A H33D 109.5 . . ?
C32 C33A H33E 109.5 . . ?
H33D C33A H33E 109.5 . . ?
C32 C33A H33F 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C32 C34A H34D 109.5 . . ?
C32 C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C32 C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32 C35A H35D 109.5 . . ?
C32 C35A H35E 109.5 . . ?
H35D C35A H35E 109.5 . . ?
C32 C35A H35F 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?

_refine_diff_density_max         1.276
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.176

_shelxl_version_number           2013-4

