# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_ijsf1923
_database_code_depnum_ccdc_archive 'CCDC 2281111'
loop_
_audit_author_name
_audit_author_address
'Theo Tanner'
;University of York
United Kingdom
;
_audit_update_record             
;
2023-07-12 deposited with the CCDC.	2024-01-09 downloaded from the CCDC.
;
_audit_creation_date             2023-07-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H65 Cl P5 Pd3, F6 Sb'
_chemical_formula_sum            'C78 H65 Cl F6 P5 Pd3 Sb'
_chemical_formula_weight         1747.55
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c78 h65 Cl1 f6 p5 Pd3 Sb1'
_chemical_oxdiff_usercomment     'Neda Jeddi NEJ-1-ab62-low concentrated'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.28922(15)
_cell_length_b                   16.70934(13)
_cell_length_c                   27.2586(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.5087(8)
_cell_angle_gamma                90
_cell_volume                     6950.79(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13102
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      70.8370
_cell_measurement_theta_min      4.1820
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.152
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.63a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3472
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.0180
-1 0 0 0.0180
2 -1 -2 0.0387
0 1 -2 0.0836
0 -1 0 0.0584
0 -1 -2 0.0672
0 0 -1 0.0771
-1 -2 2 0.0726
-1 -1 1 0.0644
1 1 -1 0.0592
0 1 2 0.0601
0 0 1 0.0689
0 -1 2 0.0721
0 2 -1 0.0768

_exptl_crystal_size_max          0.159
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.036
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9984 0.0003 0.0065 -0.0990 0.0187 0.0009
-0.9984 -0.0003 -0.0065 0.0990 -0.0187 -0.0009
2.0011 -0.9994 -1.9903 -0.1846 0.0651 0.1446
0.0020 1.0008 -1.9972 0.0341 0.1419 -0.0005
0.0012 -1.0004 -0.0030 -0.0103 -0.0571 0.0717
0.0043 -1.0000 -2.0032 0.0135 0.0276 0.1429
0.0016 0.0002 -1.0001 0.0119 0.0424 0.0356
-0.9992 -2.0015 1.9878 0.0547 -0.2178 0.0713
-0.9988 -1.0009 0.9906 0.0769 -0.1183 0.0352
0.9988 1.0009 -0.9906 -0.0769 0.1183 -0.0352
-0.0043 1.0000 2.0032 -0.0135 -0.0276 -0.1429
-0.0016 -0.0002 1.0001 -0.0119 -0.0424 -0.0356
-0.0020 -1.0008 1.9972 -0.0341 -0.1419 0.0005
-0.0008 2.0010 -0.9941 0.0324 0.1567 -0.1077

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            28086
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.214
_diffrn_reflns_theta_min         3.923
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -30.00  16.00   1.00    2.50    --    0.00  77.00-180.00   46
  2  ω    -26.00  39.00   1.00    2.50    --    0.00  77.00   0.00   65
  3  ω     35.00 121.00   1.00   10.00    --   54.00  57.00-180.00   86
  4  ω     35.00  75.00   1.00   10.00    --   54.00 -57.00 150.00   40
  5  ω     10.00 119.00   1.00   10.00    --   54.00  19.00 120.00  109
  6  ω     54.00  98.00   1.00   10.00    --   54.00-125.00 -90.00   44
  7  ω     29.00  56.00   1.00   10.00    --   54.00-125.00 150.00   27
  8  ω    108.00 149.00   1.00   10.00    --  108.00  77.00   0.00   41
  9  ω    104.00 152.00   1.00   10.00    --  108.00  77.00  60.00   48
 10  ω     38.00  79.00   1.00   10.00    --  108.00 -77.00  30.00   41
 11  ω     64.00 127.00   1.00   10.00    --  108.00 -63.00  30.00   63
 12  ω     61.00 142.00   1.00   10.00    --  108.00 178.00  30.00   81
 13  ω     84.00 175.00   1.00   10.00    --  108.00  37.00-180.00   91
 14  ω    110.00 177.00   1.00   10.00    --  108.00  77.00  30.00   67
 15  ω     89.00 114.00   1.00   10.00    --  108.00 -77.00  30.00   25
 16  ω     67.00 132.00   1.00   10.00    --  108.00 178.00  60.00   65
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0991324000
_diffrn_orient_matrix_UB_12      0.0101839000
_diffrn_orient_matrix_UB_13      -0.0120613000
_diffrn_orient_matrix_UB_21      0.0190184000
_diffrn_orient_matrix_UB_22      0.0572718000
_diffrn_orient_matrix_UB_23      -0.0423410000
_diffrn_orient_matrix_UB_31      0.0011359000
_diffrn_orient_matrix_UB_32      -0.0715335000
_diffrn_orient_matrix_UB_33      -0.0356089000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11559
_reflns_number_total             13206
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.63a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.63a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.63a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT n/a (Sheldrick, 2015)'
_refine_diff_density_max         1.164
_refine_diff_density_min         -0.853
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         13206
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+4.7090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0827
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C36(H36), C66(H66), C38(H38), C60(H60), C2(H2), C65(H65), C56(H56), C54(H54),
 C71(H71), C68(H68), C20(H20), C26(H26), C17(H17), C51(H51), C53(H53), C4(H4),
 C62(H62), C59(H59), C72(H72), C42(H42), C76(H76), C39(H39), C78(H78), C27(H27),
  C63(H63), C77(H77), C64(H64), C35(H35), C34(H34), C48(H48), C14(H14),
 C32(H32), C3(H3), C30(H30), C52(H52), C18(H18), C40(H40), C44(H44), C57(H57),
 C41(H41), C28(H28), C8(H8), C6(H6), C5(H5), C69(H69), C58(H58), C33(H33),
 C50(H50), C74(H74), C45(H45), C9(H9), C21(H21), C24(H24), C12(H12), C22(H22),
 C70(H70), C11(H11), C75(H75), C16(H16), C29(H29), C47(H47), C15(H15), C23(H23),
  C46(H46), C10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd2 Pd 0.31715(2) 0.76060(2) 0.38121(2) 0.01221(6) Uani 1 1 d . . . . .
Sb1 Sb 0.14420(2) 0.24353(2) 0.44715(2) 0.02801(7) Uani 1 1 d . . . . .
Pd1 Pd 0.44661(2) 0.76432(2) 0.30720(2) 0.01557(6) Uani 1 1 d . . . . .
Pd3 Pd 0.26389(2) 0.77940(2) 0.27758(2) 0.01508(6) Uani 1 1 d . . . . .
P4 P 0.18209(5) 0.76315(4) 0.34049(3) 0.01313(14) Uani 1 1 d . . . . .
Cl1 Cl 0.38465(5) 0.79290(5) 0.22654(3) 0.02558(17) Uani 1 1 d . . . . .
P5 P 0.16284(5) 0.76868(5) 0.21281(3) 0.01729(16) Uani 1 1 d . . . . .
P2 P 0.46533(5) 0.75637(5) 0.38772(3) 0.01518(15) Uani 1 1 d . . . . .
P3 P 0.27229(5) 0.74348(4) 0.45969(3) 0.01473(15) Uani 1 1 d . . . . .
P1 P 0.58394(5) 0.74341(5) 0.28122(3) 0.01825(16) Uani 1 1 d . . . . .
F2 F 0.14593(18) 0.16097(13) 0.49346(9) 0.0505(7) Uani 1 1 d . . . . .
F3 F 0.14004(19) 0.32718(14) 0.40150(9) 0.0534(7) Uani 1 1 d . . . . .
F5 F 0.04856(18) 0.19506(17) 0.41275(9) 0.0560(7) Uani 1 1 d . . . . .
F4 F 0.0680(2) 0.29968(16) 0.48511(10) 0.0606(8) Uani 1 1 d . . . . .
F1 F 0.2392(2) 0.29217(19) 0.48066(12) 0.0723(9) Uani 1 1 d . . . . .
C36 C 0.6945(2) 0.6832(2) 0.35832(12) 0.0244(7) Uani 1 1 d . . . . .
H36 H 0.656961 0.637845 0.356835 0.029 Uiso 1 1 calc R U . . .
C66 C 0.1176(2) 0.64955(19) 0.46119(11) 0.0198(6) Uani 1 1 d . . . . .
H66 H 0.085441 0.698084 0.462459 0.024 Uiso 1 1 calc R U . . .
C31 C 0.6789(2) 0.7468(2) 0.32565(12) 0.0215(7) Uani 1 1 d . . . . .
C38 C 0.6136(2) 0.8365(2) 0.43350(13) 0.0271(7) Uani 1 1 d . . . . .
H38 H 0.645365 0.787870 0.431881 0.033 Uiso 1 1 calc R U . . .
C7 C 0.0456(2) 0.7641(2) 0.22118(12) 0.0282(8) Uani 1 1 d . . . . .
C60 C 0.2238(2) 0.90163(19) 0.45590(12) 0.0199(6) Uani 1 1 d . . . . .
H60 H 0.264526 0.904594 0.430979 0.024 Uiso 1 1 calc R U . . .
C2 C 0.1048(2) 0.8403(2) 0.12438(11) 0.0213(7) Uani 1 1 d . . . . .
H2 H 0.064277 0.797181 0.121538 0.026 Uiso 1 1 calc R U . . .
C65 C 0.0731(2) 0.5765(2) 0.45877(12) 0.0244(7) Uani 1 1 d . . . . .
H65 H 0.010908 0.575394 0.458205 0.029 Uiso 1 1 calc R U . . .
C56 C 0.1468(2) 0.8242(2) 0.51392(13) 0.0307(8) Uani 1 1 d . . . . .
H56 H 0.135576 0.774716 0.529466 0.037 Uiso 1 1 calc R U . . .
C54 C 0.4194(2) 0.7894(2) 0.51835(12) 0.0235(7) Uani 1 1 d . . . . .
H54 H 0.429015 0.825833 0.492467 0.028 Uiso 1 1 calc R U . . .
C71 C -0.0218(2) 0.6016(2) 0.32664(14) 0.0346(9) Uani 1 1 d . . . . .
H71 H -0.083903 0.601857 0.322400 0.042 Uiso 1 1 calc R U . . .
F6 F 0.2192(2) 0.1863(2) 0.40882(12) 0.0777(10) Uani 1 1 d . . . . .
C68 C 0.1590(2) 0.59996(19) 0.34059(11) 0.0216(7) Uani 1 1 d . . . . .
H68 H 0.221049 0.599204 0.345634 0.026 Uiso 1 1 calc R U . . .
C20 C 0.5225(3) 0.6191(2) 0.22134(13) 0.0333(8) Uani 1 1 d . . . . .
H20 H 0.468766 0.647821 0.219887 0.040 Uiso 1 1 calc R U . . .
C26 C 0.6508(2) 0.7972(2) 0.19258(13) 0.0292(8) Uani 1 1 d . . . . .
H26 H 0.663343 0.742696 0.185877 0.035 Uiso 1 1 calc R U . . .
C17 C 0.2683(3) 0.6035(2) 0.12364(16) 0.0436(11) Uani 1 1 d . . . . .
H17 H 0.297199 0.603553 0.093757 0.052 Uiso 1 1 calc R U . . .
C51 C 0.3913(2) 0.6858(2) 0.59466(12) 0.0278(8) Uani 1 1 d . . . . .
H51 H 0.381235 0.650522 0.621047 0.033 Uiso 1 1 calc R U . . .
C53 C 0.4757(2) 0.7894(2) 0.56046(13) 0.0295(8) Uani 1 1 d . . . . .
H53 H 0.524058 0.825195 0.562917 0.035 Uiso 1 1 calc R U . . .
C1 C 0.1650(2) 0.84476(19) 0.16505(11) 0.0189(6) Uani 1 1 d . . . . .
C55 C 0.2069(2) 0.82809(19) 0.47761(11) 0.0183(6) Uani 1 1 d . . . . .
C37 C 0.5272(2) 0.8398(2) 0.41479(11) 0.0188(6) Uani 1 1 d . . . . .
C4 C 0.1621(2) 0.9616(2) 0.09260(13) 0.0296(8) Uani 1 1 d . . . . .
H4 H 0.161208 1.001370 0.067694 0.036 Uiso 1 1 calc R U . . .
C19 C 0.5946(2) 0.6478(2) 0.24993(12) 0.0245(7) Uani 1 1 d . . . . .
C62 C 0.2551(2) 0.5792(2) 0.45927(11) 0.0222(7) Uani 1 1 d . . . . .
H62 H 0.317156 0.579752 0.459004 0.027 Uiso 1 1 calc R U . . .
C59 C 0.1816(2) 0.9707(2) 0.47050(13) 0.0272(7) Uani 1 1 d . . . . .
H59 H 0.194684 1.020964 0.456344 0.033 Uiso 1 1 calc R U . . .
C72 C 0.0237(2) 0.6736(2) 0.33002(12) 0.0239(7) Uani 1 1 d . . . . .
H72 H -0.007245 0.722869 0.327068 0.029 Uiso 1 1 calc R U . . .
C42 C 0.4826(2) 0.9126(2) 0.41653(12) 0.0238(7) Uani 1 1 d . . . . .
H42 H 0.423783 0.916164 0.403369 0.029 Uiso 1 1 calc R U . . .
C61 C 0.2087(2) 0.65178(18) 0.46176(10) 0.0165(6) Uani 1 1 d . . . . .
C76 C 0.0183(3) 0.9832(3) 0.3766(2) 0.0595(14) Uani 1 1 d . . . . .
H76 H -0.016209 1.028980 0.382776 0.071 Uiso 1 1 calc R U . . .
C39 C 0.6541(2) 0.9039(2) 0.45463(13) 0.0319(8) Uani 1 1 d . . . . .
H39 H 0.713190 0.900831 0.467487 0.038 Uiso 1 1 calc R U . . .
C67 C 0.1145(2) 0.67365(18) 0.33771(11) 0.0175(6) Uani 1 1 d . . . . .
C78 C 0.0454(2) 0.8429(2) 0.38620(12) 0.0262(7) Uani 1 1 d . . . . .
H78 H 0.031389 0.793195 0.400727 0.031 Uiso 1 1 calc R U . . .
C43 C 0.5096(2) 0.6645(2) 0.41352(12) 0.0223(7) Uani 1 1 d . . . . .
C27 C 0.6731(2) 0.8571(3) 0.15983(14) 0.0379(10) Uani 1 1 d . . . . .
H27 H 0.700925 0.843111 0.130800 0.046 Uiso 1 1 calc R U . . .
C25 C 0.6103(2) 0.8177(2) 0.23481(12) 0.0229(7) Uani 1 1 d . . . . .
C63 C 0.2106(2) 0.5071(2) 0.45720(12) 0.0255(7) Uani 1 1 d . . . . .
H63 H 0.242281 0.458337 0.455789 0.031 Uiso 1 1 calc R U . . .
C77 C -0.0003(2) 0.9112(3) 0.39736(15) 0.0408(10) Uani 1 1 d . . . . .
H77 H -0.045353 0.908143 0.419816 0.049 Uiso 1 1 calc R U . . .
C64 C 0.1198(3) 0.5057(2) 0.45718(13) 0.0293(8) Uani 1 1 d . . . . .
H64 H 0.089654 0.455994 0.456081 0.035 Uiso 1 1 calc R U . . .
C35 C 0.7652(2) 0.6863(2) 0.39303(13) 0.0302(8) Uani 1 1 d . . . . .
H35 H 0.775785 0.643008 0.415203 0.036 Uiso 1 1 calc R U . . .
C34 C 0.8199(2) 0.7523(2) 0.39528(14) 0.0312(8) Uani 1 1 d . . . . .
H34 H 0.868432 0.754377 0.418724 0.037 Uiso 1 1 calc R U . . .
C48 C 0.5533(2) 0.6589(2) 0.46024(13) 0.0309(8) Uani 1 1 d . . . . .
H48 H 0.563347 0.705597 0.479678 0.037 Uiso 1 1 calc R U . . .
C14 C 0.1850(3) 0.6044(2) 0.21024(13) 0.0382(10) Uani 1 1 d . . . . .
H14 H 0.156261 0.604075 0.240177 0.046 Uiso 1 1 calc R U . . .
C32 C 0.7335(2) 0.8126(2) 0.32866(13) 0.0277(7) Uani 1 1 d . . . . .
H32 H 0.722969 0.856323 0.306833 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1043(2) 0.8982(2) 0.08844(12) 0.0265(7) Uani 1 1 d . . . . .
H3 H 0.063878 0.894556 0.060632 0.032 Uiso 1 1 calc R U . . .
C13 C 0.1933(2) 0.67512(19) 0.18459(12) 0.0204(6) Uani 1 1 d . . . . .
C30 C 0.5894(2) 0.8967(2) 0.24305(14) 0.0318(8) Uani 1 1 d . . . . .
H30 H 0.559201 0.910592 0.271294 0.038 Uiso 1 1 calc R U . . .
C52 C 0.4616(2) 0.7378(2) 0.59862(13) 0.0292(8) Uani 1 1 d . . . . .
H52 H 0.499880 0.737936 0.627405 0.035 Uiso 1 1 calc R U . . .
C18 C 0.2349(3) 0.6743(2) 0.14114(14) 0.0351(9) Uani 1 1 d . . . . .
H18 H 0.240758 0.722475 0.123134 0.042 Uiso 1 1 calc R U . . .
C40 C 0.6090(2) 0.9747(2) 0.45694(13) 0.0301(8) Uani 1 1 d . . . . .
H40 H 0.636538 1.020146 0.472039 0.036 Uiso 1 1 calc R U . . .
C44 C 0.4952(2) 0.5948(2) 0.38621(13) 0.0279(8) Uani 1 1 d . . . . .
H44 H 0.464807 0.597888 0.354796 0.033 Uiso 1 1 calc R U . . .
C57 C 0.1031(3) 0.8933(3) 0.52736(16) 0.0430(11) Uani 1 1 d . . . . .
H57 H 0.061022 0.890612 0.551547 0.052 Uiso 1 1 calc R U . . .
C41 C 0.5234(2) 0.9799(2) 0.43728(13) 0.0290(8) Uani 1 1 d . . . . .
H41 H 0.492699 1.029326 0.437999 0.035 Uiso 1 1 calc R U . . .
C73 C 0.1125(2) 0.84693(19) 0.35344(12) 0.0207(7) Uani 1 1 d . . . . .
C28 C 0.6552(3) 0.9362(3) 0.16921(16) 0.0408(10) Uani 1 1 d . . . . .
H28 H 0.672496 0.976848 0.147425 0.049 Uiso 1 1 calc R U . . .
C8 C 0.0087(3) 0.8320(3) 0.24099(14) 0.0367(9) Uani 1 1 d . . . . .
H8 H 0.044945 0.876310 0.250217 0.044 Uiso 1 1 calc R U . . .
C6 C 0.2229(2) 0.9087(2) 0.16913(12) 0.0245(7) Uani 1 1 d . . . . .
H6 H 0.263730 0.912360 0.196739 0.029 Uiso 1 1 calc R U . . .
C5 C 0.2213(3) 0.9674(2) 0.13282(14) 0.0312(8) Uani 1 1 d . . . . .
H5 H 0.260781 1.011249 0.135695 0.037 Uiso 1 1 calc R U . . .
C49 C 0.3488(2) 0.73635(18) 0.51386(11) 0.0179(6) Uani 1 1 d . . . . .
C69 C 0.1136(2) 0.5289(2) 0.33616(12) 0.0278(8) Uani 1 1 d . . . . .
H69 H 0.144248 0.479441 0.337727 0.033 Uiso 1 1 calc R U . . .
C58 C 0.1209(3) 0.9657(2) 0.50554(15) 0.0365(9) Uani 1 1 d . . . . .
H58 H 0.090824 1.012546 0.514867 0.044 Uiso 1 1 calc R U . . .
C33 C 0.8034(2) 0.8152(2) 0.36321(14) 0.0333(8) Uani 1 1 d . . . . .
H33 H 0.840590 0.860797 0.364918 0.040 Uiso 1 1 calc R U . . .
C50 C 0.3353(2) 0.6844(2) 0.55277(11) 0.0226(7) Uani 1 1 d . . . . .
H50 H 0.287600 0.647877 0.550507 0.027 Uiso 1 1 calc R U . . .
C74 C 0.1330(3) 0.9215(2) 0.33503(17) 0.0433(10) Uani 1 1 d . . . . .
H74 H 0.179902 0.926413 0.313884 0.052 Uiso 1 1 calc R U . . .
C45 C 0.5241(3) 0.5212(2) 0.40381(16) 0.0382(9) Uani 1 1 d . . . . .
H45 H 0.513867 0.474298 0.384622 0.046 Uiso 1 1 calc R U . . .
C9 C -0.0800(3) 0.8355(3) 0.24738(16) 0.0506(13) Uani 1 1 d . . . . .
H9 H -0.105170 0.882010 0.260789 0.061 Uiso 1 1 calc R U . . .
C21 C 0.5295(3) 0.5483(2) 0.19498(15) 0.0434(10) Uani 1 1 d . . . . .
H21 H 0.480827 0.529313 0.174950 0.052 Uiso 1 1 calc R U . . .
C24 C 0.6716(3) 0.6045(2) 0.25131(14) 0.0360(9) Uani 1 1 d . . . . .
H24 H 0.721543 0.623870 0.270122 0.043 Uiso 1 1 calc R U . . .
C12 C -0.0076(3) 0.7013(3) 0.20655(15) 0.0503(13) Uani 1 1 d . . . . .
H12 H 0.016341 0.655141 0.192026 0.060 Uiso 1 1 calc R U . . .
C22 C 0.6071(4) 0.5057(2) 0.19788(15) 0.0479(12) Uani 1 1 d . . . . .
H22 H 0.611618 0.456820 0.180374 0.058 Uiso 1 1 calc R U . . .
C70 C 0.0226(3) 0.5297(2) 0.32939(13) 0.0339(9) Uani 1 1 d . . . . .
H70 H -0.008929 0.480710 0.326663 0.041 Uiso 1 1 calc R U . . .
C11 C -0.0969(3) 0.7060(4) 0.21324(18) 0.0700(18) Uani 1 1 d . . . . .
H11 H -0.133933 0.662713 0.202937 0.084 Uiso 1 1 calc R U . . .
C75 C 0.0863(4) 0.9889(3) 0.3470(2) 0.0674(16) Uani 1 1 d . . . . .
H75 H 0.101946 1.039631 0.334442 0.081 Uiso 1 1 calc R U . . .
C16 C 0.2601(3) 0.5330(2) 0.14907(14) 0.0370(9) Uani 1 1 d . . . . .
H16 H 0.282870 0.484407 0.136941 0.044 Uiso 1 1 calc R U . . .
C29 C 0.6119(3) 0.9561(3) 0.21063(16) 0.0422(10) Uani 1 1 d . . . . .
H29 H 0.597589 1.010312 0.216827 0.051 Uiso 1 1 calc R U . . .
C47 C 0.5817(3) 0.5851(3) 0.47780(15) 0.0452(11) Uani 1 1 d . . . . .
H47 H 0.610952 0.581390 0.509492 0.054 Uiso 1 1 calc R U . . .
C15 C 0.2184(3) 0.5340(2) 0.19224(15) 0.0451(11) Uani 1 1 d . . . . .
H15 H 0.212474 0.485700 0.210076 0.054 Uiso 1 1 calc R U . . .
C23 C 0.6771(3) 0.5340(3) 0.22597(15) 0.0478(12) Uani 1 1 d . . . . .
H23 H 0.730405 0.504552 0.228025 0.057 Uiso 1 1 calc R U . . .
C46 C 0.5683(3) 0.5165(2) 0.44991(16) 0.0456(11) Uani 1 1 d . . . . .
H46 H 0.589101 0.466311 0.462177 0.055 Uiso 1 1 calc R U . . .
C10 C -0.1316(3) 0.7705(4) 0.23399(17) 0.0659(18) Uani 1 1 d . . . . .
H10 H -0.192342 0.771388 0.239498 0.079 Uiso 1 1 calc 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
Pd2 Pd1 2.9120(3) . ?
Pd2 Pd3 2.9085(3) . ?
Pd2 P4 2.2841(7) . ?
Pd2 P2 2.2627(8) . ?
Pd2 P3 2.3040(8) . ?
Sb1 F2 1.869(2) . ?
Sb1 F3 1.870(2) . ?
Sb1 F5 1.872(2) . ?
Sb1 F4 1.859(2) . ?
Sb1 F1 1.855(3) . ?
Sb1 F6 1.862(3) . ?
Pd1 Pd3 2.8713(3) . ?
Pd1 Cl1 2.3886(7) . ?
Pd1 P2 2.1999(8) . ?
Pd1 P1 2.2835(8) . ?
Pd3 P4 2.2002(8) . ?
Pd3 Cl1 2.3897(7) . ?
Pd3 P5 2.2808(8) . ?
P4 C67 1.817(3) . ?
P4 C73 1.806(3) . ?
P5 C7 1.822(4) . ?
P5 C1 1.821(3) . ?
P5 C13 1.816(3) . ?
P2 C37 1.816(3) . ?
P2 C43 1.803(3) . ?
P3 C55 1.816(3) . ?
P3 C61 1.817(3) . ?
P3 C49 1.831(3) . ?
P1 C31 1.835(3) . ?
P1 C19 1.823(3) . ?
P1 C25 1.834(3) . ?
C36 H36 0.9500 . ?
C36 C31 1.398(5) . ?
C36 C35 1.392(5) . ?
C66 H66 0.9500 . ?
C66 C65 1.397(5) . ?
C66 C61 1.393(4) . ?
C31 C32 1.379(5) . ?
C38 H38 0.9500 . ?
C38 C37 1.387(4) . ?
C38 C39 1.392(5) . ?
C7 C8 1.390(6) . ?
C7 C12 1.371(6) . ?
C60 H60 0.9500 . ?
C60 C55 1.395(4) . ?
C60 C59 1.393(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.398(4) . ?
C2 C3 1.377(5) . ?
C65 H65 0.9500 . ?
C65 C64 1.383(5) . ?
C56 H56 0.9500 . ?
C56 C55 1.393(4) . ?
C56 C57 1.393(5) . ?
C54 H54 0.9500 . ?
C54 C53 1.392(5) . ?
C54 C49 1.396(5) . ?
C71 H71 0.9500 . ?
C71 C72 1.391(5) . ?
C71 C70 1.379(6) . ?
C68 H68 0.9500 . ?
C68 C67 1.407(4) . ?
C68 C69 1.377(5) . ?
C20 H20 0.9500 . ?
C20 C19 1.396(5) . ?
C20 C21 1.391(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.398(5) . ?
C26 C25 1.383(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(5) . ?
C17 C16 1.377(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.380(5) . ?
C51 C50 1.385(4) . ?
C53 H53 0.9500 . ?
C53 C52 1.379(5) . ?
C1 C6 1.387(5) . ?
C37 C42 1.397(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.379(5) . ?
C4 C5 1.382(5) . ?
C19 C24 1.381(5) . ?
C62 H62 0.9500 . ?
C62 C61 1.409(4) . ?
C62 C63 1.382(5) . ?
C59 H59 0.9500 . ?
C59 C58 1.375(5) . ?
C72 H72 0.9500 . ?
C72 C67 1.391(4) . ?
C42 H42 0.9500 . ?
C42 C41 1.389(5) . ?
C76 H76 0.9500 . ?
C76 C77 1.367(7) . ?
C76 C75 1.358(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.372(5) . ?
C78 H78 0.9500 . ?
C78 C77 1.383(5) . ?
C78 C73 1.402(5) . ?
C43 C48 1.405(5) . ?
C43 C44 1.393(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(6) . ?
C25 C30 1.381(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.388(5) . ?
C77 H77 0.9500 . ?
C64 H64 0.9500 . ?
C35 H35 0.9500 . ?
C35 C34 1.384(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.380(5) . ?
C48 H48 0.9500 . ?
C48 C47 1.384(5) . ?
C14 H14 0.9500 . ?
C14 C13 1.383(5) . ?
C14 C15 1.384(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(5) . ?
C3 H3 0.9500 . ?
C13 C18 1.378(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.386(5) . ?
C52 H52 0.9500 . ?
C18 H18 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.387(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.383(5) . ?
C57 H57 0.9500 . ?
C57 C58 1.383(6) . ?
C41 H41 0.9500 . ?
C73 C74 1.387(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.379(5) . ?
C6 H6 0.9500 . ?
C6 C5 1.393(5) . ?
C5 H5 0.9500 . ?
C49 C50 1.396(4) . ?
C69 H69 0.9500 . ?
C69 C70 1.392(5) . ?
C58 H58 0.9500 . ?
C33 H33 0.9500 . ?
C50 H50 0.9500 . ?
C74 H74 0.9500 . ?
C74 C75 1.384(6) . ?
C45 H45 0.9500 . ?
C45 C46 1.392(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(7) . ?
C24 H24 0.9500 . ?
C24 C23 1.371(6) . ?
C12 H12 0.9500 . ?
C12 C11 1.391(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.362(7) . ?
C70 H70 0.9500 . ?
C11 H11 0.9500 . ?
C11 C10 1.342(8) . ?
C75 H75 0.9500 . ?
C16 H16 0.9500 . ?
C16 C15 1.372(6) . ?
C29 H29 0.9500 . ?
C47 H47 0.9500 . ?
C47 C46 1.384(6) . ?
C15 H15 0.9500 . ?
C23 H23 0.9500 . ?
C46 H46 0.9500 . ?
C10 H10 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
Pd3 Pd2 Pd1 59.116(7) . . ?
P4 Pd2 Pd1 107.20(2) . . ?
P4 Pd2 Pd3 48.318(19) . . ?
P4 Pd2 P3 98.15(3) . . ?
P2 Pd2 Pd1 48.34(2) . . ?
P2 Pd2 Pd3 107.40(2) . . ?
P2 Pd2 P4 155.47(3) . . ?
P2 Pd2 P3 106.07(3) . . ?
P3 Pd2 Pd1 154.09(2) . . ?
P3 Pd2 Pd3 146.47(2) . . ?
F2 Sb1 F3 178.58(12) . . ?
F2 Sb1 F5 89.85(11) . . ?
F3 Sb1 F5 89.79(12) . . ?
F4 Sb1 F2 88.85(12) . . ?
F4 Sb1 F3 89.78(11) . . ?
F4 Sb1 F5 90.00(15) . . ?
F4 Sb1 F6 179.14(16) . . ?
F1 Sb1 F2 90.72(13) . . ?
F1 Sb1 F3 89.65(14) . . ?
F1 Sb1 F5 179.41(14) . . ?
F1 Sb1 F4 90.19(15) . . ?
F1 Sb1 F6 90.65(16) . . ?
F6 Sb1 F2 90.92(14) . . ?
F6 Sb1 F3 90.45(14) . . ?
F6 Sb1 F5 89.17(15) . . ?
Pd3 Pd1 Pd2 60.381(7) . . ?
Cl1 Pd1 Pd2 113.196(19) . . ?
Cl1 Pd1 Pd3 53.083(18) . . ?
P2 Pd1 Pd2 50.21(2) . . ?
P2 Pd1 Pd3 110.54(2) . . ?
P2 Pd1 Cl1 161.90(3) . . ?
P2 Pd1 P1 103.55(3) . . ?
P1 Pd1 Pd2 152.69(2) . . ?
P1 Pd1 Pd3 145.43(2) . . ?
P1 Pd1 Cl1 93.75(3) . . ?
Pd1 Pd3 Pd2 60.503(7) . . ?
P4 Pd3 Pd2 50.84(2) . . ?
P4 Pd3 Pd1 111.08(2) . . ?
P4 Pd3 Cl1 164.10(3) . . ?
P4 Pd3 P5 101.72(3) . . ?
Cl1 Pd3 Pd2 113.284(19) . . ?
Cl1 Pd3 Pd1 53.049(18) . . ?
P5 Pd3 Pd2 151.57(2) . . ?
P5 Pd3 Pd1 144.30(2) . . ?
P5 Pd3 Cl1 93.88(3) . . ?
Pd3 P4 Pd2 80.85(3) . . ?
C67 P4 Pd2 120.00(11) . . ?
C67 P4 Pd3 114.72(10) . . ?
C73 P4 Pd2 116.45(10) . . ?
C73 P4 Pd3 115.25(11) . . ?
C73 P4 C67 107.79(15) . . ?
Pd1 Cl1 Pd3 73.87(2) . . ?
C7 P5 Pd3 122.09(11) . . ?
C1 P5 Pd3 117.23(11) . . ?
C1 P5 C7 100.35(16) . . ?
C13 P5 Pd3 102.49(10) . . ?
C13 P5 C7 107.27(16) . . ?
C13 P5 C1 106.37(14) . . ?
Pd1 P2 Pd2 81.45(3) . . ?
C37 P2 Pd2 120.15(11) . . ?
C37 P2 Pd1 113.07(10) . . ?
C43 P2 Pd2 114.04(11) . . ?
C43 P2 Pd1 117.61(11) . . ?
C43 P2 C37 108.73(15) . . ?
C55 P3 Pd2 110.69(11) . . ?
C55 P3 C61 110.09(14) . . ?
C55 P3 C49 99.74(14) . . ?
C61 P3 Pd2 108.89(10) . . ?
C61 P3 C49 103.70(14) . . ?
C49 P3 Pd2 123.01(11) . . ?
C31 P1 Pd1 119.76(11) . . ?
C19 P1 Pd1 112.93(12) . . ?
C19 P1 C31 104.26(15) . . ?
C19 P1 C25 103.91(16) . . ?
C25 P1 Pd1 110.80(11) . . ?
C25 P1 C31 103.66(15) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C31 120.0(3) . . ?
C65 C66 H66 119.7 . . ?
C61 C66 H66 119.7 . . ?
C61 C66 C65 120.5(3) . . ?
C36 C31 P1 119.6(3) . . ?
C32 C31 P1 121.0(3) . . ?
C32 C31 C36 119.3(3) . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.7(3) . . ?
C39 C38 H38 119.7 . . ?
C8 C7 P5 116.1(3) . . ?
C12 C7 P5 124.5(3) . . ?
C12 C7 C8 119.3(4) . . ?
C55 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C59 C60 C55 120.5(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C3 C2 C1 120.1(3) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 C66 119.8(3) . . ?
C64 C65 H65 120.1 . . ?
C55 C56 H56 120.1 . . ?
C55 C56 C57 119.8(3) . . ?
C57 C56 H56 120.1 . . ?
C53 C54 H54 119.7 . . ?
C53 C54 C49 120.5(3) . . ?
C49 C54 H54 119.7 . . ?
C72 C71 H71 119.7 . . ?
C70 C71 H71 119.7 . . ?
C70 C71 C72 120.6(3) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C69 C68 C67 120.6(3) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C21 C20 C19 119.9(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.6(4) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(4) . . ?
C52 C51 H51 119.5 . . ?
C52 C51 C50 121.0(3) . . ?
C50 C51 H51 119.5 . . ?
C54 C53 H53 119.9 . . ?
C52 C53 C54 120.3(3) . . ?
C52 C53 H53 119.9 . . ?
C2 C1 P5 119.3(3) . . ?
C6 C1 P5 121.3(2) . . ?
C6 C1 C2 119.4(3) . . ?
C60 C55 P3 116.9(2) . . ?
C56 C55 P3 123.6(3) . . ?
C56 C55 C60 119.3(3) . . ?
C38 C37 P2 125.5(3) . . ?
C38 C37 C42 118.5(3) . . ?
C42 C37 P2 116.1(2) . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.3(3) . . ?
C5 C4 H4 119.8 . . ?
C20 C19 P1 118.2(3) . . ?
C24 C19 P1 123.2(3) . . ?
C24 C19 C20 118.6(3) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 H62 119.8 . . ?
C63 C62 C61 120.3(3) . . ?
C60 C59 H59 120.2 . . ?
C58 C59 C60 119.5(3) . . ?
C58 C59 H59 120.2 . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C67 120.0(3) . . ?
C67 C72 H72 120.0 . . ?
C37 C42 H42 119.6 . . ?
C41 C42 C37 120.8(3) . . ?
C41 C42 H42 119.6 . . ?
C66 C61 P3 124.0(2) . . ?
C66 C61 C62 118.8(3) . . ?
C62 C61 P3 116.9(2) . . ?
C77 C76 H76 120.2 . . ?
C75 C76 H76 120.2 . . ?
C75 C76 C77 119.6(4) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C68 C67 P4 116.5(2) . . ?
C72 C67 P4 124.5(3) . . ?
C72 C67 C68 118.9(3) . . ?
C77 C78 H78 120.0 . . ?
C77 C78 C73 120.0(4) . . ?
C73 C78 H78 120.0 . . ?
C48 C43 P2 123.8(3) . . ?
C44 C43 P2 117.4(2) . . ?
C44 C43 C48 118.7(3) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.7(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C25 P1 122.3(3) . . ?
C30 C25 P1 118.2(3) . . ?
C30 C25 C26 119.5(3) . . ?
C62 C63 H63 119.9 . . ?
C62 C63 C64 120.2(3) . . ?
C64 C63 H63 119.9 . . ?
C76 C77 C78 121.0(4) . . ?
C76 C77 H77 119.5 . . ?
C78 C77 H77 119.5 . . ?
C65 C64 C63 120.3(3) . . ?
C65 C64 H64 119.9 . . ?
C63 C64 H64 119.9 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35 120.0 . . ?
C35 C34 H34 120.2 . . ?
C33 C34 C35 119.5(3) . . ?
C33 C34 H34 120.2 . . ?
C43 C48 H48 120.2 . . ?
C47 C48 C43 119.6(3) . . ?
C47 C48 H48 120.2 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 119.9(3) . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.4(3) . . ?
C33 C32 H32 119.8 . . ?
C2 C3 C4 120.3(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C14 C13 P5 119.2(3) . . ?
C18 C13 P5 121.1(3) . . ?
C18 C13 C14 119.2(3) . . ?
C25 C30 H30 119.6 . . ?
C25 C30 C29 120.8(4) . . ?
C29 C30 H30 119.6 . . ?
C51 C52 H52 120.3 . . ?
C53 C52 C51 119.5(3) . . ?
C53 C52 H52 120.3 . . ?
C17 C18 H18 119.9 . . ?
C13 C18 C17 120.3(3) . . ?
C13 C18 H18 119.9 . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C41 120.1(3) . . ?
C41 C40 H40 119.9 . . ?
C43 C44 H44 119.3 . . ?
C45 C44 C43 121.4(3) . . ?
C45 C44 H44 119.3 . . ?
C56 C57 H57 119.9 . . ?
C58 C57 C56 120.1(3) . . ?
C58 C57 H57 119.9 . . ?
C42 C41 H41 120.2 . . ?
C40 C41 C42 119.7(3) . . ?
C40 C41 H41 120.2 . . ?
C78 C73 P4 123.3(3) . . ?
C74 C73 P4 118.4(3) . . ?
C74 C73 C78 117.7(3) . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.5(4) . . ?
C29 C28 H28 120.3 . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C1 C6 H6 119.9 . . ?
C1 C6 C5 120.1(3) . . ?
C5 C6 H6 119.9 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C54 C49 P3 118.8(2) . . ?
C50 C49 P3 122.4(2) . . ?
C50 C49 C54 118.6(3) . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 119.9(3) . . ?
C70 C69 H69 120.0 . . ?
C59 C58 C57 120.7(3) . . ?
C59 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C34 C33 C32 120.8(4) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C51 C50 C49 120.2(3) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C73 C74 H74 119.5 . . ?
C75 C74 C73 120.9(4) . . ?
C75 C74 H74 119.5 . . ?
C44 C45 H45 120.3 . . ?
C44 C45 C46 119.4(4) . . ?
C46 C45 H45 120.3 . . ?
C8 C9 H9 120.5 . . ?
C10 C9 C8 118.9(5) . . ?
C10 C9 H9 120.5 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.1(4) . . ?
C22 C21 H21 120.0 . . ?
C19 C24 H24 119.5 . . ?
C23 C24 C19 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C7 C12 H12 120.4 . . ?
C7 C12 C11 119.2(5) . . ?
C11 C12 H12 120.4 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.7(4) . . ?
C23 C22 H22 120.2 . . ?
C71 C70 C69 119.9(3) . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C12 C11 H11 119.4 . . ?
C10 C11 C12 121.1(5) . . ?
C10 C11 H11 119.4 . . ?
C76 C75 C74 120.6(5) . . ?
C76 C75 H75 119.7 . . ?
C74 C75 H75 119.7 . . ?
C17 C16 H16 120.6 . . ?
C15 C16 C17 118.8(4) . . ?
C15 C16 H16 120.6 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.0 . . ?
C48 C47 H47 119.5 . . ?
C48 C47 C46 121.0(4) . . ?
C46 C47 H47 119.5 . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 121.1(4) . . ?
C16 C15 H15 119.5 . . ?
C24 C23 H23 119.6 . . ?
C22 C23 C24 120.7(4) . . ?
C22 C23 H23 119.6 . . ?
C45 C46 H46 120.1 . . ?
C47 C46 C45 119.8(4) . . ?
C47 C46 H46 120.1 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.7(4) . . ?
C11 C10 H10 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd2 P4 C67 C68 -27.7(3) . . . . ?
Pd2 P4 C67 C72 156.4(2) . . . . ?
Pd2 P4 C73 C78 -99.2(3) . . . . ?
Pd2 P4 C73 C74 72.4(3) . . . . ?
Pd2 P2 C37 C38 160.7(3) . . . . ?
Pd2 P2 C37 C42 -19.3(3) . . . . ?
Pd2 P2 C43 C48 -110.5(3) . . . . ?
Pd2 P2 C43 C44 66.1(3) . . . . ?
Pd2 P3 C55 C60 -28.1(3) . . . . ?
Pd2 P3 C55 C56 157.0(3) . . . . ?
Pd2 P3 C61 C66 -102.2(2) . . . . ?
Pd2 P3 C61 C62 71.8(2) . . . . ?
Pd2 P3 C49 C54 43.6(3) . . . . ?
Pd2 P3 C49 C50 -141.9(2) . . . . ?
Pd1 P2 C37 C38 -105.9(3) . . . . ?
Pd1 P2 C37 C42 74.2(3) . . . . ?
Pd1 P2 C43 C48 156.7(3) . . . . ?
Pd1 P2 C43 C44 -26.7(3) . . . . ?
Pd1 P1 C31 C36 74.5(3) . . . . ?
Pd1 P1 C31 C32 -103.1(3) . . . . ?
Pd1 P1 C19 C20 34.6(3) . . . . ?
Pd1 P1 C19 C24 -148.5(3) . . . . ?
Pd1 P1 C25 C26 -136.5(3) . . . . ?
Pd1 P1 C25 C30 44.2(3) . . . . ?
Pd3 P4 C67 C68 66.0(2) . . . . ?
Pd3 P4 C67 C72 -109.9(3) . . . . ?
Pd3 P4 C73 C78 168.6(2) . . . . ?
Pd3 P4 C73 C74 -19.8(3) . . . . ?
Pd3 P5 C7 C8 64.6(3) . . . . ?
Pd3 P5 C7 C12 -119.7(3) . . . . ?
Pd3 P5 C1 C2 179.4(2) . . . . ?
Pd3 P5 C1 C6 -3.0(3) . . . . ?
Pd3 P5 C13 C14 65.7(3) . . . . ?
Pd3 P5 C13 C18 -105.8(3) . . . . ?
P4 C73 C74 C75 -174.8(4) . . . . ?
P5 C7 C8 C9 178.0(3) . . . . ?
P5 C7 C12 C11 -177.5(4) . . . . ?
P5 C1 C6 C5 -178.0(3) . . . . ?
P5 C13 C18 C17 171.2(3) . . . . ?
P2 C37 C42 C41 178.9(3) . . . . ?
P2 C43 C48 C47 177.2(3) . . . . ?
P2 C43 C44 C45 -177.8(3) . . . . ?
P3 C49 C50 C51 -174.8(3) . . . . ?
P1 C31 C32 C33 178.2(3) . . . . ?
P1 C19 C24 C23 -178.1(3) . . . . ?
P1 C25 C30 C29 176.5(3) . . . . ?
C36 C31 C32 C33 0.7(5) . . . . ?
C36 C35 C34 C33 0.6(5) . . . . ?
C66 C65 C64 C63 -1.0(5) . . . . ?
C31 P1 C19 C20 166.2(3) . . . . ?
C31 P1 C19 C24 -16.9(4) . . . . ?
C31 P1 C25 C26 93.8(3) . . . . ?
C31 P1 C25 C30 -85.5(3) . . . . ?
C31 C36 C35 C34 0.1(5) . . . . ?
C31 C32 C33 C34 0.0(6) . . . . ?
C38 C37 C42 C41 -1.1(5) . . . . ?
C38 C39 C40 C41 -1.4(6) . . . . ?
C7 P5 C1 C2 -46.1(3) . . . . ?
C7 P5 C1 C6 131.5(3) . . . . ?
C7 P5 C13 C14 -64.0(3) . . . . ?
C7 P5 C13 C18 124.5(3) . . . . ?
C7 C8 C9 C10 0.3(6) . . . . ?
C7 C12 C11 C10 -0.4(8) . . . . ?
C60 C59 C58 C57 1.8(6) . . . . ?
C2 C1 C6 C5 -0.4(5) . . . . ?
C65 C66 C61 P3 174.7(2) . . . . ?
C65 C66 C61 C62 0.7(4) . . . . ?
C56 C57 C58 C59 -0.1(6) . . . . ?
C54 C53 C52 C51 0.2(6) . . . . ?
C54 C49 C50 C51 -0.2(5) . . . . ?
C71 C72 C67 P4 177.5(3) . . . . ?
C71 C72 C67 C68 1.8(5) . . . . ?
C68 C69 C70 C71 0.6(5) . . . . ?
C20 C19 C24 C23 -1.2(6) . . . . ?
C20 C21 C22 C23 -1.2(7) . . . . ?
C26 C27 C28 C29 -2.3(6) . . . . ?
C26 C25 C30 C29 -2.8(6) . . . . ?
C17 C16 C15 C14 0.0(7) . . . . ?
C53 C54 C49 P3 175.8(3) . . . . ?
C53 C54 C49 C50 1.0(5) . . . . ?
C1 P5 C7 C8 -67.0(3) . . . . ?
C1 P5 C7 C12 108.8(4) . . . . ?
C1 P5 C13 C14 -170.7(3) . . . . ?
C1 P5 C13 C18 17.8(3) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C1 C6 C5 C4 -0.3(5) . . . . ?
C55 P3 C61 C66 19.3(3) . . . . ?
C55 P3 C61 C62 -166.7(2) . . . . ?
C55 P3 C49 C54 -79.0(3) . . . . ?
C55 P3 C49 C50 95.5(3) . . . . ?
C55 C60 C59 C58 -1.9(5) . . . . ?
C55 C56 C57 C58 -1.5(6) . . . . ?
C37 P2 C43 C48 26.6(4) . . . . ?
C37 P2 C43 C44 -156.8(3) . . . . ?
C37 C38 C39 C40 -0.4(6) . . . . ?
C37 C42 C41 C40 -0.6(5) . . . . ?
C19 P1 C31 C36 -53.0(3) . . . . ?
C19 P1 C31 C32 129.5(3) . . . . ?
C19 P1 C25 C26 -15.0(3) . . . . ?
C19 P1 C25 C30 165.7(3) . . . . ?
C19 C20 C21 C22 1.3(6) . . . . ?
C19 C24 C23 C22 1.4(7) . . . . ?
C62 C63 C64 C65 0.6(5) . . . . ?
C59 C60 C55 P3 -174.8(2) . . . . ?
C59 C60 C55 C56 0.4(5) . . . . ?
C72 C71 C70 C69 0.7(6) . . . . ?
C61 P3 C55 C60 -148.5(2) . . . . ?
C61 P3 C55 C56 36.5(3) . . . . ?
C61 P3 C49 C54 167.4(3) . . . . ?
C61 P3 C49 C50 -18.1(3) . . . . ?
C61 C66 C65 C64 0.3(5) . . . . ?
C61 C62 C63 C64 0.5(5) . . . . ?
C39 C38 C37 P2 -178.4(3) . . . . ?
C39 C38 C37 C42 1.6(5) . . . . ?
C39 C40 C41 C42 1.9(5) . . . . ?
C67 P4 C73 C78 39.1(3) . . . . ?
C67 P4 C73 C74 -149.3(3) . . . . ?
C67 C68 C69 C70 -0.8(5) . . . . ?
C78 C73 C74 C75 -2.7(7) . . . . ?
C43 P2 C37 C38 26.7(3) . . . . ?
C43 P2 C37 C42 -153.2(2) . . . . ?
C43 C48 C47 C46 0.4(7) . . . . ?
C43 C44 C45 C46 0.3(6) . . . . ?
C27 C26 C25 P1 -176.8(3) . . . . ?
C27 C26 C25 C30 2.5(5) . . . . ?
C27 C28 C29 C30 2.0(6) . . . . ?
C25 P1 C31 C36 -161.5(3) . . . . ?
C25 P1 C31 C32 21.0(3) . . . . ?
C25 P1 C19 C20 -85.5(3) . . . . ?
C25 P1 C19 C24 91.4(3) . . . . ?
C25 C26 C27 C28 0.0(6) . . . . ?
C25 C30 C29 C28 0.5(6) . . . . ?
C63 C62 C61 P3 -175.5(2) . . . . ?
C63 C62 C61 C66 -1.2(5) . . . . ?
C77 C76 C75 C74 4.5(9) . . . . ?
C77 C78 C73 P4 174.6(3) . . . . ?
C77 C78 C73 C74 2.9(5) . . . . ?
C35 C36 C31 P1 -178.3(3) . . . . ?
C35 C36 C31 C32 -0.7(5) . . . . ?
C35 C34 C33 C32 -0.6(6) . . . . ?
C48 C43 C44 C45 -1.0(6) . . . . ?
C48 C47 C46 C45 -1.2(8) . . . . ?
C14 C13 C18 C17 -0.4(6) . . . . ?
C3 C2 C1 P5 178.6(2) . . . . ?
C3 C2 C1 C6 1.0(5) . . . . ?
C3 C4 C5 C6 0.4(6) . . . . ?
C13 P5 C7 C8 -177.9(3) . . . . ?
C13 P5 C7 C12 -2.2(4) . . . . ?
C13 P5 C1 C2 65.5(3) . . . . ?
C13 P5 C1 C6 -116.9(3) . . . . ?
C13 C14 C15 C16 0.0(7) . . . . ?
C52 C51 C50 C49 -0.6(5) . . . . ?
C18 C17 C16 C15 -0.2(7) . . . . ?
C44 C43 C48 C47 0.7(6) . . . . ?
C44 C45 C46 C47 0.8(7) . . . . ?
C57 C56 C55 P3 176.2(3) . . . . ?
C57 C56 C55 C60 1.4(5) . . . . ?
C73 P4 C67 C68 -164.2(2) . . . . ?
C73 P4 C67 C72 19.9(3) . . . . ?
C73 C78 C77 C76 0.5(6) . . . . ?
C73 C74 C75 C76 -1.0(9) . . . . ?
C8 C7 C12 C11 -1.9(7) . . . . ?
C8 C9 C10 C11 -2.6(7) . . . . ?
C5 C4 C3 C2 0.2(5) . . . . ?
C49 P3 C55 C60 102.9(3) . . . . ?
C49 P3 C55 C56 -72.1(3) . . . . ?
C49 P3 C61 C66 125.2(3) . . . . ?
C49 P3 C61 C62 -60.8(3) . . . . ?
C49 C54 C53 C52 -1.0(6) . . . . ?
C69 C68 C67 P4 -176.5(2) . . . . ?
C69 C68 C67 C72 -0.4(5) . . . . ?
C50 C51 C52 C53 0.6(6) . . . . ?
C21 C20 C19 P1 176.9(3) . . . . ?
C21 C20 C19 C24 -0.2(6) . . . . ?
C21 C22 C23 C24 -0.2(7) . . . . ?
C12 C7 C8 C9 2.0(6) . . . . ?
C12 C11 C10 C9 2.8(9) . . . . ?
C70 C71 C72 C67 -1.9(6) . . . . ?
C75 C76 C77 C78 -4.3(7) . . . . ?
C16 C17 C18 C13 0.4(7) . . . . ?
C15 C14 C13 P5 -171.5(3) . . . . ?
C15 C14 C13 C18 0.2(6) . . . . ?

_olex2_date_sample_data_collection 2019-11-15
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.424
_oxdiff_exptl_absorpt_empirical_full_min 0.779
