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#$Date: 2025-07-06 19:18:13 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/85/7718584.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7718584
loop_
_publ_author_name
'Ataie, Saeed'
'Khanzadeh, Atousa'
'Tom Baker, R.'
_publ_section_title
;
 A palladium thiolate-SNS complex-catalyst for Mizoroki-Heck
 cross-coupling.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8050
_journal_page_last               8054
_journal_paper_doi               10.1039/d5dt01008j
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C52 H36 N4 Pd4 S8, 2(C6 H6)'
_chemical_formula_sum            'C64 H48 N4 Pd4 S8'
_chemical_formula_weight         1555.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_update_record
;
2024-12-11 deposited with the CCDC.	2025-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                100.302(2)
_cell_angle_beta                 103.645(2)
_cell_angle_gamma                102.354(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3905(9)
_cell_length_b                   16.2021(13)
_cell_length_c                   16.8244(13)
_cell_measurement_reflns_used    8528
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.26
_cell_volume                     2860.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution
; 
 SHELXT 2014/5 (Sheldrick, 2014)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1175
_diffrn_reflns_av_unetI/netI     0.1484
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            37415
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.440
_diffrn_reflns_theta_min         1.283
_exptl_absorpt_coefficient_mu    1.576
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_description       plate
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.059
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.515
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.234
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         11691
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.1345
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0688P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1549
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6746
_reflns_number_total             11691
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01008j2.cif
_cod_data_source_block           K1860
_cod_depositor_comments
'Adding full bibliography for 7718582--7718584.cif.'
_cod_database_code               7718584
_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.
;
_shelx_shelxl_version_number     2018/3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.59421(6) 0.21444(4) 0.57337(4) 0.01659(17) Uani 1 1 d . . . . .
Pd2 Pd 0.90121(6) 0.38514(4) 0.68574(4) 0.01693(17) Uani 1 1 d . . . . .
Pd3 Pd 0.65510(6) 0.25295(4) 0.77697(4) 0.01735(17) Uani 1 1 d . . . . .
Pd4 Pd 0.64926(6) 0.45547(4) 0.66441(4) 0.01690(17) Uani 1 1 d . . . . .
S1 S 0.78635(19) 0.28141(14) 0.56150(14) 0.0189(5) Uani 1 1 d . . . . .
S2 S 0.3946(2) 0.15377(14) 0.57235(15) 0.0215(5) Uani 1 1 d . . . . .
S3 S 0.85694(19) 0.28897(14) 0.76611(14) 0.0186(5) Uani 1 1 d . . . . .
S4 S 0.9631(2) 0.47063(14) 0.60240(14) 0.0207(5) Uani 1 1 d . . . . .
S5 S 0.62593(19) 0.38916(13) 0.77367(14) 0.0173(5) Uani 1 1 d . . . . .
S6 S 0.7059(2) 0.13018(14) 0.80367(15) 0.0238(5) Uani 1 1 d . . . . .
S7 S 0.5239(2) 0.33612(13) 0.56067(14) 0.0182(5) Uani 1 1 d . . . . .
S8 S 0.7361(2) 0.57912(14) 0.76852(15) 0.0234(5) Uani 1 1 d . . . . .
N1 N 0.6622(6) 0.1080(4) 0.5850(4) 0.0180(16) Uani 1 1 d . . . . .
N2 N 1.0032(6) 0.4721(4) 0.7958(4) 0.0198(16) Uani 1 1 d . . . . .
N3 N 0.4776(6) 0.2214(5) 0.7884(4) 0.0199(17) Uani 1 1 d . . . . .
N4 N 0.6772(6) 0.5123(5) 0.5679(4) 0.0204(17) Uani 1 1 d . . . . .
C1 C 0.8562(8) 0.1947(5) 0.5697(5) 0.0182(19) Uani 1 1 d . . . . .
C2 C 0.9765(8) 0.2037(5) 0.5641(6) 0.025(2) Uani 1 1 d . . . . .
H2 H 1.021088 0.257094 0.556809 0.030 Uiso 1 1 calc R U . . .
C3 C 1.0329(8) 0.1391(6) 0.5687(6) 0.027(2) Uani 1 1 d . . . . .
H3 H 1.116929 0.147391 0.566095 0.033 Uiso 1 1 calc R U . . .
C4 C 0.9666(9) 0.0598(6) 0.5774(7) 0.035(3) Uani 1 1 d . . . . .
H4 H 1.004395 0.013048 0.579486 0.041 Uiso 1 1 calc R U . . .
C5 C 0.8462(8) 0.0499(6) 0.5828(6) 0.028(2) Uani 1 1 d . . . . .
H5 H 0.801921 -0.003941 0.589585 0.034 Uiso 1 1 calc R U . . .
C6 C 0.7879(8) 0.1155(5) 0.5788(5) 0.020(2) Uani 1 1 d . . . . .
C7 C 0.6031(8) 0.0385(5) 0.6016(6) 0.023(2) Uani 1 1 d . . . . .
H7 H 0.649018 -0.003761 0.606279 0.028 Uiso 1 1 calc R U . . .
C8 C 0.4825(8) 0.0133(5) 0.6142(5) 0.0186(19) Uani 1 1 d . . . . .
C9 C 0.4559(8) -0.0666(6) 0.6388(6) 0.029(2) Uani 1 1 d . . . . .
H9 H 0.516919 -0.098678 0.642432 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3490(8) -0.0997(6) 0.6575(6) 0.025(2) Uani 1 1 d . . . . .
H10 H 0.335274 -0.153450 0.673585 0.030 Uiso 1 1 calc R U . . .
C11 C 0.2609(8) -0.0533(6) 0.6525(6) 0.026(2) Uani 1 1 d . . . . .
H11 H 0.185446 -0.075277 0.665662 0.032 Uiso 1 1 calc R U . . .
C12 C 0.2796(8) 0.0236(6) 0.6290(6) 0.025(2) Uani 1 1 d . . . . .
H12 H 0.217002 0.054267 0.626887 0.030 Uiso 1 1 calc R U . . .
C13 C 0.3893(8) 0.0591(5) 0.6075(5) 0.019(2) Uani 1 1 d . . . . .
C14 C 0.9543(8) 0.3548(6) 0.8657(5) 0.021(2) Uani 1 1 d . . . . .
C15 C 0.9675(8) 0.3221(6) 0.9372(6) 0.025(2) Uani 1 1 d . . . . .
H15 H 0.913757 0.267682 0.935296 0.031 Uiso 1 1 calc R U . . .
C16 C 1.0576(8) 0.3678(6) 1.0104(6) 0.025(2) Uani 1 1 d . . . . .
H16 H 1.067319 0.344524 1.058792 0.030 Uiso 1 1 calc R U . . .
C17 C 1.1353(9) 0.4486(6) 1.0143(6) 0.029(2) Uani 1 1 d . . . . .
H17 H 1.198586 0.480339 1.064802 0.034 Uiso 1 1 calc R U . . .
C18 C 1.1186(8) 0.4815(6) 0.9436(6) 0.025(2) Uani 1 1 d . . . . .
H18 H 1.172449 0.536024 0.945994 0.030 Uiso 1 1 calc R U . . .
C19 C 1.0255(8) 0.4376(6) 0.8685(6) 0.024(2) Uani 1 1 d . . . . .
C20 C 1.0385(8) 0.5557(5) 0.8071(6) 0.024(2) Uani 1 1 d . . . . .
H20 H 1.067506 0.587278 0.864481 0.028 Uiso 1 1 calc R U . . .
C21 C 1.0410(7) 0.6087(6) 0.7474(5) 0.020(2) Uani 1 1 d . . . . .
C22 C 1.0816(8) 0.6999(5) 0.7819(6) 0.025(2) Uani 1 1 d . . . . .
H22 H 1.097357 0.721129 0.840923 0.030 Uiso 1 1 calc R U . . .
C23 C 1.0989(9) 0.7583(6) 0.7341(6) 0.027(2) Uani 1 1 d . . . . .
H23 H 1.125386 0.819077 0.759258 0.032 Uiso 1 1 calc R U . . .
C24 C 1.0773(8) 0.7278(6) 0.6475(6) 0.029(2) Uani 1 1 d . . . . .
H24 H 1.090043 0.767666 0.613312 0.034 Uiso 1 1 calc R U . . .
C25 C 1.0373(8) 0.6396(6) 0.6119(6) 0.026(2) Uani 1 1 d . . . . .
H25 H 1.023000 0.619781 0.552852 0.031 Uiso 1 1 calc R U . . .
C26 C 1.0170(7) 0.5778(5) 0.6593(6) 0.020(2) Uani 1 1 d . . . . .
C27 C 0.4645(8) 0.3644(5) 0.7634(5) 0.020(2) Uani 1 1 d . . . . .
C28 C 0.3955(8) 0.4236(6) 0.7507(6) 0.024(2) Uani 1 1 d . . . . .
H28 H 0.436547 0.479692 0.746853 0.028 Uiso 1 1 calc R U . . .
C29 C 0.2685(8) 0.4039(6) 0.7433(6) 0.030(2) Uani 1 1 d . . . . .
H29 H 0.223247 0.446224 0.735630 0.036 Uiso 1 1 calc R U . . .
C30 C 0.2076(9) 0.3205(6) 0.7474(6) 0.034(2) Uani 1 1 d . . . . .
H30 H 0.120270 0.305593 0.742003 0.040 Uiso 1 1 calc R U . . .
C31 C 0.2750(8) 0.2602(6) 0.7594(6) 0.029(2) Uani 1 1 d . . . . .
H31 H 0.232417 0.203077 0.759796 0.034 Uiso 1 1 calc R U . . .
C32 C 0.4045(8) 0.2811(5) 0.7710(5) 0.021(2) Uani 1 1 d . . . . .
C33 C 0.4302(8) 0.1585(6) 0.8213(6) 0.028(2) Uani 1 1 d . . . . .
H33 H 0.353135 0.160890 0.832844 0.033 Uiso 1 1 calc R U . . .
C34 C 0.4764(8) 0.0870(6) 0.8424(6) 0.027(2) Uani 1 1 d . . . . .
C35 C 0.3930(9) 0.0282(6) 0.8712(6) 0.032(2) Uani 1 1 d . . . . .
H35 H 0.316767 0.040090 0.876587 0.039 Uiso 1 1 calc R U . . .
C36 C 0.4207(10) -0.0447(6) 0.8911(6) 0.036(3) Uani 1 1 d . . . . .
H36 H 0.364994 -0.081970 0.911665 0.043 Uiso 1 1 calc R U . . .
C37 C 0.5270(9) -0.0642(6) 0.8817(6) 0.036(3) Uani 1 1 d . . . . .
H37 H 0.544554 -0.115966 0.894241 0.043 Uiso 1 1 calc R U . . .
C38 C 0.6104(9) -0.0091(6) 0.8538(6) 0.035(3) Uani 1 1 d . . . . .
H38 H 0.684995 -0.023716 0.848135 0.042 Uiso 1 1 calc R U . . .
C39 C 0.5885(9) 0.0671(6) 0.8338(6) 0.027(2) Uani 1 1 d . . . . .
C40 C 0.5755(7) 0.3664(6) 0.4759(5) 0.019(2) Uani 1 1 d . . . . .
C41 C 0.5434(8) 0.3066(6) 0.3988(6) 0.022(2) Uani 1 1 d . . . . .
H41 H 0.487898 0.250822 0.389963 0.027 Uiso 1 1 calc R U . . .
C42 C 0.5910(9) 0.3275(6) 0.3359(5) 0.026(2) Uani 1 1 d . . . . .
H42 H 0.568227 0.286667 0.283031 0.031 Uiso 1 1 calc R U . . .
C43 C 0.6743(8) 0.4099(6) 0.3494(6) 0.029(2) Uani 1 1 d . . . . .
H43 H 0.710943 0.423862 0.306680 0.035 Uiso 1 1 calc R U . . .
C44 C 0.7022(8) 0.4698(6) 0.4244(5) 0.024(2) Uani 1 1 d . . . . .
H44 H 0.756924 0.525741 0.432415 0.029 Uiso 1 1 calc R U . . .
C45 C 0.6528(8) 0.4509(5) 0.4887(5) 0.019(2) Uani 1 1 d . . . . .
C46 C 0.7126(8) 0.5941(6) 0.5717(6) 0.027(2) Uani 1 1 d . . . . .
H46 H 0.718046 0.607163 0.519596 0.032 Uiso 1 1 calc R U . . .
C47 C 0.7452(8) 0.6687(5) 0.6401(6) 0.024(2) Uani 1 1 d . . . . .
C48 C 0.7670(8) 0.7480(6) 0.6184(6) 0.029(2) Uani 1 1 d . . . . .
H48 H 0.763964 0.747987 0.561477 0.035 Uiso 1 1 calc R U . . .
C49 C 0.7925(10) 0.8260(6) 0.6744(7) 0.042(3) Uani 1 1 d . . . . .
H49 H 0.805425 0.878829 0.656613 0.051 Uiso 1 1 calc R U . . .
C50 C 0.7993(9) 0.8267(6) 0.7588(7) 0.035(3) Uani 1 1 d . . . . .
H50 H 0.815175 0.880060 0.798887 0.042 Uiso 1 1 calc R U . . .
C51 C 0.7829(9) 0.7498(6) 0.7826(6) 0.030(2) Uani 1 1 d . . . . .
H51 H 0.790374 0.750768 0.840192 0.036 Uiso 1 1 calc R U . . .
C52 C 0.7555(8) 0.6694(5) 0.7249(6) 0.024(2) Uani 1 1 d . . . . .
C53 C 1.0687(11) 0.1328(9) 0.8535(9) 0.063(3) Uani 1 1 d . . . . .
H53 H 1.039059 0.164049 0.813870 0.076 Uiso 1 1 calc R U . . .
C54 C 1.0241(12) 0.0448(9) 0.8362(9) 0.073(4) Uani 1 1 d . . . . .
H54 H 0.964329 0.013749 0.783924 0.088 Uiso 1 1 calc R U . . .
C55 C 1.0672(12) 0.0003(10) 0.8963(9) 0.071(4) Uani 1 1 d . . . . .
H55 H 1.038229 -0.061350 0.883660 0.086 Uiso 1 1 calc R U . . .
C56 C 1.1469(14) 0.0423(13) 0.9697(10) 0.097(5) Uani 1 1 d . . . . .
H56 H 1.169778 0.011030 1.010973 0.116 Uiso 1 1 calc R U . . .
C57 C 1.1975(15) 0.1303(14) 0.9878(11) 0.106(5) Uani 1 1 d . . . . .
H57 H 1.259052 0.159266 1.039915 0.127 Uiso 1 1 calc R U . . .
C58 C 1.1589(13) 0.1769(12) 0.9303(11) 0.096(5) Uani 1 1 d . . . . .
H58 H 1.192983 0.238203 0.942540 0.115 Uiso 1 1 calc R U . . .
C59 C 0.5867(10) 0.2981(6) 1.1077(7) 0.038(3) Uani 1 1 d . . . . .
H59 H 0.618161 0.267491 1.147380 0.046 Uiso 1 1 calc R U . . .
C60 C 0.6339(10) 0.3011(7) 1.0410(7) 0.043(3) Uani 1 1 d . . . . .
H60 H 0.697889 0.273593 1.034024 0.052 Uiso 1 1 calc R U . . .
C61 C 0.5853(12) 0.3460(8) 0.9824(7) 0.052(4) Uani 1 1 d . . . . .
H61 H 0.617146 0.350670 0.935634 0.062 Uiso 1 1 calc R U . . .
C62 C 0.4905(13) 0.3832(8) 0.9941(7) 0.059(4) Uani 1 1 d . . . . .
H62 H 0.453906 0.410884 0.953255 0.071 Uiso 1 1 calc R U . . .
C63 C 0.4498(11) 0.3808(8) 1.0613(7) 0.051(3) Uani 1 1 d . . . . .
H63 H 0.387580 0.409591 1.069225 0.062 Uiso 1 1 calc R U . . .
C64 C 0.4955(10) 0.3377(7) 1.1199(7) 0.042(3) Uani 1 1 d . . . . .
H64 H 0.464551 0.335458 1.167438 0.051 Uiso 1 1 calc R U . . .
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pd1 S2 97.5(2) . . ?
N1 Pd1 S1 87.0(2) . . ?
S2 Pd1 S1 173.51(9) . . ?
N1 Pd1 S7 178.3(2) . . ?
S2 Pd1 S7 84.22(8) . . ?
S1 Pd1 S7 91.33(8) . . ?
N1 Pd1 Pd3 84.31(18) . . ?
S2 Pd1 Pd3 84.98(6) . . ?
S1 Pd1 Pd3 100.20(6) . . ?
S7 Pd1 Pd3 95.71(6) . . ?
N2 Pd2 S4 95.1(2) . . ?
N2 Pd2 S3 86.5(2) . . ?
S4 Pd2 S3 172.51(8) . . ?
N2 Pd2 S1 177.9(2) . . ?
S4 Pd2 S1 86.38(8) . . ?
S3 Pd2 S1 91.86(8) . . ?
N3 Pd3 S6 97.0(2) . . ?
N3 Pd3 S3 179.2(2) . . ?
S6 Pd3 S3 82.75(8) . . ?
N3 Pd3 S5 85.6(2) . . ?
S6 Pd3 S5 169.91(9) . . ?
S3 Pd3 S5 94.48(8) . . ?
N3 Pd3 Pd1 100.2(2) . . ?
S6 Pd3 Pd1 102.06(6) . . ?
S3 Pd3 Pd1 80.58(6) . . ?
S5 Pd3 Pd1 86.98(6) . . ?
N4 Pd4 S8 95.9(2) . . ?
N4 Pd4 S7 86.1(2) . . ?
S8 Pd4 S7 168.44(8) . . ?
N4 Pd4 S5 177.4(2) . . ?
S8 Pd4 S5 84.51(8) . . ?
S7 Pd4 S5 94.08(8) . . ?
C1 S1 Pd1 97.8(3) . . ?
C1 S1 Pd2 102.3(3) . . ?
Pd1 S1 Pd2 109.86(9) . . ?
C13 S2 Pd1 109.2(3) . . ?
C14 S3 Pd2 98.2(3) . . ?
C14 S3 Pd3 107.1(3) . . ?
Pd2 S3 Pd3 117.41(9) . . ?
C26 S4 Pd2 109.3(3) . . ?
C27 S5 Pd3 98.5(3) . . ?
C27 S5 Pd4 104.8(3) . . ?
Pd3 S5 Pd4 123.04(9) . . ?
C39 S6 Pd3 110.4(3) . . ?
C40 S7 Pd4 97.3(3) . . ?
C40 S7 Pd1 103.0(3) . . ?
Pd4 S7 Pd1 110.89(9) . . ?
C52 S8 Pd4 109.9(3) . . ?
C7 N1 C6 119.0(7) . . ?
C7 N1 Pd1 124.8(6) . . ?
C6 N1 Pd1 116.1(5) . . ?
C20 N2 C19 117.5(7) . . ?
C20 N2 Pd2 126.1(6) . . ?
C19 N2 Pd2 116.0(5) . . ?
C33 N3 C32 116.6(7) . . ?
C33 N3 Pd3 126.2(6) . . ?
C32 N3 Pd3 116.4(5) . . ?
C46 N4 C45 118.8(8) . . ?
C46 N4 Pd4 127.2(7) . . ?
C45 N4 Pd4 114.0(5) . . ?
C2 C1 C6 119.7(8) . . ?
C2 C1 S1 119.8(6) . . ?
C6 C1 S1 120.4(6) . . ?
C3 C2 C1 122.0(8) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C2 C3 C4 119.1(8) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 119.4(9) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C6 C5 C4 121.9(9) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C5 C6 C1 117.8(8) . . ?
C5 C6 N1 123.7(8) . . ?
C1 C6 N1 118.6(7) . . ?
N1 C7 C8 132.3(8) . . ?
N1 C7 H7 113.9 . . ?
C8 C7 H7 113.9 . . ?
C13 C8 C7 128.0(8) . . ?
C13 C8 C9 117.0(8) . . ?
C7 C8 C9 114.9(8) . . ?
C10 C9 C8 124.0(9) . . ?
C10 C9 H9 118.0 . . ?
C8 C9 H9 118.0 . . ?
C9 C10 C11 118.0(8) . . ?
C9 C10 H10 121.0 . . ?
C11 C10 H10 121.0 . . ?
C12 C11 C10 121.3(9) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 122.0(8) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C8 C13 C12 117.6(8) . . ?
C8 C13 S2 125.9(7) . . ?
C12 C13 S2 116.5(7) . . ?
C15 C14 C19 121.0(8) . . ?
C15 C14 S3 120.8(7) . . ?
C19 C14 S3 118.0(7) . . ?
C16 C15 C14 120.3(9) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.2(9) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 118.8(9) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 122.4(9) . . ?
C17 C18 H18 118.8 . . ?
C19 C18 H18 118.8 . . ?
C18 C19 C14 116.9(8) . . ?
C18 C19 N2 123.4(8) . . ?
C14 C19 N2 119.7(8) . . ?
N2 C20 C21 130.7(9) . . ?
N2 C20 H20 114.7 . . ?
C21 C20 H20 114.7 . . ?
C26 C21 C22 118.2(8) . . ?
C26 C21 C20 125.7(8) . . ?
C22 C21 C20 115.8(8) . . ?
C23 C22 C21 122.7(9) . . ?
C23 C22 H22 118.7 . . ?
C21 C22 H22 118.7 . . ?
C22 C23 C24 119.1(8) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C25 C24 C23 119.7(9) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 122.5(9) . . ?
C24 C25 H25 118.7 . . ?
C26 C25 H25 118.7 . . ?
C25 C26 C21 117.7(8) . . ?
C25 C26 S4 115.4(7) . . ?
C21 C26 S4 126.9(6) . . ?
C28 C27 C32 119.3(8) . . ?
C28 C27 S5 122.4(7) . . ?
C32 C27 S5 118.3(6) . . ?
C27 C28 C29 122.1(9) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
C28 C29 C30 118.8(9) . . ?
C28 C29 H29 120.6 . . ?
C30 C29 H29 120.6 . . ?
C31 C30 C29 119.8(9) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 121.5(9) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 H31 119.2 . . ?
C31 C32 C27 118.2(8) . . ?
C31 C32 N3 122.6(8) . . ?
C27 C32 N3 119.2(8) . . ?
N3 C33 C34 130.4(8) . . ?
N3 C33 H33 114.8 . . ?
C34 C33 H33 114.8 . . ?
C39 C34 C35 118.2(9) . . ?
C39 C34 C33 127.9(8) . . ?
C35 C34 C33 113.8(8) . . ?
C36 C35 C34 121.3(9) . . ?
C36 C35 H35 119.4 . . ?
C34 C35 H35 119.4 . . ?
C37 C36 C35 120.4(9) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 120.2(9) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C39 122.1(9) . . ?
C37 C38 H38 119.0 . . ?
C39 C38 H38 119.0 . . ?
C38 C39 C34 117.8(8) . . ?
C38 C39 S6 115.7(7) . . ?
C34 C39 S6 126.5(7) . . ?
C41 C40 C45 120.6(8) . . ?
C41 C40 S7 120.3(7) . . ?
C45 C40 S7 119.1(7) . . ?
C42 C41 C40 120.4(8) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 119.7(8) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
C44 C43 C42 119.8(8) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C43 C44 C45 121.6(9) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C44 C45 C40 117.8(8) . . ?
C44 C45 N4 123.7(8) . . ?
C40 C45 N4 118.5(7) . . ?
N4 C46 C47 131.5(9) . . ?
N4 C46 H46 114.3 . . ?
C47 C46 H46 114.3 . . ?
C48 C47 C52 118.0(8) . . ?
C48 C47 C46 115.0(9) . . ?
C52 C47 C46 127.0(8) . . ?
C49 C48 C47 123.4(10) . . ?
C49 C48 H48 118.3 . . ?
C47 C48 H48 118.3 . . ?
C48 C49 C50 118.7(9) . . ?
C48 C49 H49 120.7 . . ?
C50 C49 H49 120.7 . . ?
C51 C50 C49 119.2(9) . . ?
C51 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
C50 C51 C52 122.3(9) . . ?
C50 C51 H51 118.9 . . ?
C52 C51 H51 118.9 . . ?
C47 C52 C51 118.5(8) . . ?
C47 C52 S8 126.8(7) . . ?
C51 C52 S8 114.7(7) . . ?
C54 C53 C58 119.4(15) . . ?
C54 C53 H53 120.3 . . ?
C58 C53 H53 120.3 . . ?
C53 C54 C55 119.3(14) . . ?
C53 C54 H54 120.4 . . ?
C55 C54 H54 120.4 . . ?
C56 C55 C54 121.2(16) . . ?
C56 C55 H55 119.4 . . ?
C54 C55 H55 119.4 . . ?
C55 C56 C57 121.0(19) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C56 C57 C58 119.9(18) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 H57 120.1 . . ?
C57 C58 C53 119.1(18) . . ?
C57 C58 H58 120.4 . . ?
C53 C58 H58 120.4 . . ?
C60 C59 C64 122.4(11) . . ?
C60 C59 H59 118.8 . . ?
C64 C59 H59 118.8 . . ?
C59 C60 C61 118.0(11) . . ?
C59 C60 H60 121.0 . . ?
C61 C60 H60 121.0 . . ?
C62 C61 C60 119.0(11) . . ?
C62 C61 H61 120.5 . . ?
C60 C61 H61 120.5 . . ?
C63 C62 C61 120.9(12) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C62 C63 C64 121.6(12) . . ?
C62 C63 H63 119.2 . . ?
C64 C63 H63 119.2 . . ?
C59 C64 C63 118.0(11) . . ?
C59 C64 H64 121.0 . . ?
C63 C64 H64 121.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 N1 2.057(7) . ?
Pd1 S2 2.270(2) . ?
Pd1 S1 2.297(2) . ?
Pd1 S7 2.306(2) . ?
Pd1 Pd3 3.2456(10) . ?
Pd2 N2 2.028(7) . ?
Pd2 S4 2.264(2) . ?
Pd2 S3 2.291(2) . ?
Pd2 S1 2.328(2) . ?
Pd3 N3 2.041(7) . ?
Pd3 S6 2.276(2) . ?
Pd3 S3 2.307(2) . ?
Pd3 S5 2.309(2) . ?
Pd4 N4 2.059(7) . ?
Pd4 S8 2.267(2) . ?
Pd4 S7 2.293(2) . ?
Pd4 S5 2.328(2) . ?
S1 C1 1.767(9) . ?
S2 C13 1.735(9) . ?
S3 C14 1.775(9) . ?
S4 C26 1.726(8) . ?
S5 C27 1.756(9) . ?
S6 C39 1.735(9) . ?
S7 C40 1.773(8) . ?
S8 C52 1.747(9) . ?
N1 C7 1.294(10) . ?
N1 C6 1.442(10) . ?
N2 C20 1.293(10) . ?
N2 C19 1.426(11) . ?
N3 C33 1.320(11) . ?
N3 C32 1.430(11) . ?
N4 C46 1.285(10) . ?
N4 C45 1.440(11) . ?
C1 C2 1.374(12) . ?
C1 C6 1.405(11) . ?
C2 C3 1.344(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.373(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.370(12) . ?
C5 H5 0.9500 . ?
C7 C8 1.423(12) . ?
C7 H7 0.9500 . ?
C8 C13 1.414(11) . ?
C8 C9 1.424(11) . ?
C9 C10 1.353(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.372(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.363(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.414(11) . ?
C12 H12 0.9500 . ?
C14 C15 1.389(12) . ?
C14 C19 1.397(12) . ?
C15 C16 1.368(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.396(12) . ?
C18 H18 0.9500 . ?
C20 C21 1.435(12) . ?
C20 H20 0.9500 . ?
C21 C26 1.417(12) . ?
C21 C22 1.417(12) . ?
C22 C23 1.360(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.396(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.377(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.402(12) . ?
C25 H25 0.9500 . ?
C27 C28 1.378(11) . ?
C27 C32 1.418(12) . ?
C28 C29 1.384(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.403(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.380(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.399(12) . ?
C31 H31 0.9500 . ?
C33 C34 1.437(12) . ?
C33 H33 0.9500 . ?
C34 C39 1.415(12) . ?
C34 C35 1.429(12) . ?
C35 C36 1.362(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.352(14) . ?
C36 H36 0.9500 . ?
C37 C38 1.384(13) . ?
C37 H37 0.9500 . ?
C38 C39 1.393(13) . ?
C38 H38 0.9500 . ?
C40 C41 1.389(12) . ?
C40 C45 1.409(12) . ?
C41 C42 1.360(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.407(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.369(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.383(12) . ?
C44 H44 0.9500 . ?
C46 C47 1.426(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.386(12) . ?
C47 C52 1.401(13) . ?
C48 C49 1.363(13) . ?
C48 H48 0.9500 . ?
C49 C50 1.401(14) . ?
C49 H49 0.9500 . ?
C50 C51 1.365(13) . ?
C50 H50 0.9500 . ?
C51 C52 1.402(12) . ?
C51 H51 0.9500 . ?
C53 C54 1.360(17) . ?
C53 C58 1.402(19) . ?
C53 H53 0.9500 . ?
C54 C55 1.400(17) . ?
C54 H54 0.9500 . ?
C55 C56 1.311(19) . ?
C55 H55 0.9500 . ?
C56 C57 1.37(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.38(2) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.359(14) . ?
C59 C64 1.368(14) . ?
C59 H59 0.9500 . ?
C60 C61 1.407(16) . ?
C60 H60 0.9500 . ?
C61 C62 1.379(17) . ?
C61 H61 0.9500 . ?
C62 C63 1.322(16) . ?
C62 H62 0.9500 . ?
C63 C64 1.375(14) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C15 H15 S6 0.95 3.00 3.738(9) 136.0 . yes
C25 H25 S4 0.95 2.81 3.724(10) 160.7 2_766 yes
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
Pd1 S1 C1 C2 178.7(7) . . . . ?
Pd2 S1 C1 C2 -69.0(7) . . . . ?
Pd1 S1 C1 C6 1.0(7) . . . . ?
Pd2 S1 C1 C6 113.4(7) . . . . ?
C6 C1 C2 C3 -1.3(14) . . . . ?
S1 C1 C2 C3 -179.0(7) . . . . ?
C1 C2 C3 C4 1.6(15) . . . . ?
C2 C3 C4 C5 -1.4(15) . . . . ?
C3 C4 C5 C6 1.0(15) . . . . ?
C4 C5 C6 C1 -0.7(14) . . . . ?
C4 C5 C6 N1 -179.4(9) . . . . ?
C2 C1 C6 C5 0.8(13) . . . . ?
S1 C1 C6 C5 178.5(7) . . . . ?
C2 C1 C6 N1 179.6(8) . . . . ?
S1 C1 C6 N1 -2.7(11) . . . . ?
C7 N1 C6 C5 5.4(13) . . . . ?
Pd1 N1 C6 C5 -178.2(7) . . . . ?
C7 N1 C6 C1 -173.4(8) . . . . ?
Pd1 N1 C6 C1 3.1(10) . . . . ?
C6 N1 C7 C8 177.7(9) . . . . ?
Pd1 N1 C7 C8 1.6(14) . . . . ?
N1 C7 C8 C13 3.3(17) . . . . ?
N1 C7 C8 C9 -174.6(9) . . . . ?
C13 C8 C9 C10 -1.3(14) . . . . ?
C7 C8 C9 C10 176.9(9) . . . . ?
C8 C9 C10 C11 -0.1(15) . . . . ?
C9 C10 C11 C12 0.4(14) . . . . ?
C10 C11 C12 C13 0.8(14) . . . . ?
C7 C8 C13 C12 -175.6(8) . . . . ?
C9 C8 C13 C12 2.3(12) . . . . ?
C7 C8 C13 S2 6.5(14) . . . . ?
C9 C8 C13 S2 -175.6(7) . . . . ?
C11 C12 C13 C8 -2.2(13) . . . . ?
C11 C12 C13 S2 175.9(7) . . . . ?
Pd1 S2 C13 C8 -15.9(8) . . . . ?
Pd1 S2 C13 C12 166.2(6) . . . . ?
Pd2 S3 C14 C15 -175.4(7) . . . . ?
Pd3 S3 C14 C15 62.6(8) . . . . ?
Pd2 S3 C14 C19 -0.9(7) . . . . ?
Pd3 S3 C14 C19 -123.0(7) . . . . ?
C19 C14 C15 C16 -5.0(13) . . . . ?
S3 C14 C15 C16 169.3(7) . . . . ?
C14 C15 C16 C17 1.3(14) . . . . ?
C15 C16 C17 C18 0.7(14) . . . . ?
C16 C17 C18 C19 1.0(14) . . . . ?
C17 C18 C19 C14 -4.5(13) . . . . ?
C17 C18 C19 N2 177.3(8) . . . . ?
C15 C14 C19 C18 6.4(13) . . . . ?
S3 C14 C19 C18 -168.0(7) . . . . ?
C15 C14 C19 N2 -175.3(8) . . . . ?
S3 C14 C19 N2 10.3(11) . . . . ?
C20 N2 C19 C18 -23.9(12) . . . . ?
Pd2 N2 C19 C18 162.7(7) . . . . ?
C20 N2 C19 C14 157.9(8) . . . . ?
Pd2 N2 C19 C14 -15.4(10) . . . . ?
C19 N2 C20 C21 172.8(8) . . . . ?
Pd2 N2 C20 C21 -14.6(13) . . . . ?
N2 C20 C21 C26 -7.9(15) . . . . ?
N2 C20 C21 C22 177.8(9) . . . . ?
C26 C21 C22 C23 -0.4(13) . . . . ?
C20 C21 C22 C23 174.4(8) . . . . ?
C21 C22 C23 C24 -0.7(14) . . . . ?
C22 C23 C24 C25 0.9(14) . . . . ?
C23 C24 C25 C26 0.0(14) . . . . ?
C24 C25 C26 C21 -1.0(13) . . . . ?
C24 C25 C26 S4 178.4(7) . . . . ?
C22 C21 C26 C25 1.2(11) . . . . ?
C20 C21 C26 C25 -173.0(8) . . . . ?
C22 C21 C26 S4 -178.1(7) . . . . ?
C20 C21 C26 S4 7.7(12) . . . . ?
Pd2 S4 C26 C25 -169.0(6) . . . . ?
Pd2 S4 C26 C21 10.3(8) . . . . ?
Pd3 S5 C27 C28 -173.9(7) . . . . ?
Pd4 S5 C27 C28 -46.3(8) . . . . ?
Pd3 S5 C27 C32 7.9(7) . . . . ?
Pd4 S5 C27 C32 135.5(6) . . . . ?
C32 C27 C28 C29 -1.3(14) . . . . ?
S5 C27 C28 C29 -179.5(7) . . . . ?
C27 C28 C29 C30 -1.2(14) . . . . ?
C28 C29 C30 C31 0.6(15) . . . . ?
C29 C30 C31 C32 2.6(15) . . . . ?
C30 C31 C32 C27 -5.0(14) . . . . ?
C30 C31 C32 N3 176.3(9) . . . . ?
C28 C27 C32 C31 4.3(12) . . . . ?
S5 C27 C32 C31 -177.4(7) . . . . ?
C28 C27 C32 N3 -176.9(8) . . . . ?
S5 C27 C32 N3 1.3(11) . . . . ?
C33 N3 C32 C31 -22.5(12) . . . . ?
Pd3 N3 C32 C31 166.6(7) . . . . ?
C33 N3 C32 C27 158.8(8) . . . . ?
Pd3 N3 C32 C27 -12.1(10) . . . . ?
C32 N3 C33 C34 177.0(9) . . . . ?
Pd3 N3 C33 C34 -13.1(14) . . . . ?
N3 C33 C34 C39 1.0(17) . . . . ?
N3 C33 C34 C35 -175.5(9) . . . . ?
C39 C34 C35 C36 0.9(14) . . . . ?
C33 C34 C35 C36 177.7(9) . . . . ?
C34 C35 C36 C37 -1.8(16) . . . . ?
C35 C36 C37 C38 1.7(16) . . . . ?
C36 C37 C38 C39 -0.6(16) . . . . ?
C37 C38 C39 C34 -0.3(15) . . . . ?
C37 C38 C39 S6 177.7(8) . . . . ?
C35 C34 C39 C38 0.2(13) . . . . ?
C33 C34 C39 C38 -176.2(9) . . . . ?
C35 C34 C39 S6 -177.6(7) . . . . ?
C33 C34 C39 S6 6.0(15) . . . . ?
Pd3 S6 C39 C38 -178.6(7) . . . . ?
Pd3 S6 C39 C34 -0.7(9) . . . . ?
Pd4 S7 C40 C41 168.1(6) . . . . ?
Pd1 S7 C40 C41 54.7(7) . . . . ?
Pd4 S7 C40 C45 -9.8(7) . . . . ?
Pd1 S7 C40 C45 -123.3(6) . . . . ?
C45 C40 C41 C42 3.1(13) . . . . ?
S7 C40 C41 C42 -174.8(7) . . . . ?
C40 C41 C42 C43 0.6(13) . . . . ?
C41 C42 C43 C44 -3.0(13) . . . . ?
C42 C43 C44 C45 1.5(13) . . . . ?
C43 C44 C45 C40 2.1(13) . . . . ?
C43 C44 C45 N4 -178.6(8) . . . . ?
C41 C40 C45 C44 -4.5(12) . . . . ?
S7 C40 C45 C44 173.4(6) . . . . ?
C41 C40 C45 N4 176.2(7) . . . . ?
S7 C40 C45 N4 -5.9(10) . . . . ?
C46 N4 C45 C44 22.1(12) . . . . ?
Pd4 N4 C45 C44 -158.0(7) . . . . ?
C46 N4 C45 C40 -158.6(8) . . . . ?
Pd4 N4 C45 C40 21.3(9) . . . . ?
C45 N4 C46 C47 -178.7(9) . . . . ?
Pd4 N4 C46 C47 1.4(14) . . . . ?
N4 C46 C47 C48 -173.7(9) . . . . ?
N4 C46 C47 C52 5.4(16) . . . . ?
C52 C47 C48 C49 -2.9(14) . . . . ?
C46 C47 C48 C49 176.3(9) . . . . ?
C47 C48 C49 C50 1.1(15) . . . . ?
C48 C49 C50 C51 1.4(15) . . . . ?
C49 C50 C51 C52 -2.1(15) . . . . ?
C48 C47 C52 C51 2.1(12) . . . . ?
C46 C47 C52 C51 -177.0(9) . . . . ?
C48 C47 C52 S8 -178.5(7) . . . . ?
C46 C47 C52 S8 2.4(13) . . . . ?
C50 C51 C52 C47 0.3(14) . . . . ?
C50 C51 C52 S8 -179.1(8) . . . . ?
Pd4 S8 C52 C47 -12.4(9) . . . . ?
Pd4 S8 C52 C51 167.0(6) . . . . ?
C58 C53 C54 C55 1(2) . . . . ?
C53 C54 C55 C56 2(2) . . . . ?
C54 C55 C56 C57 -5(2) . . . . ?
C55 C56 C57 C58 4(3) . . . . ?
C56 C57 C58 C53 -1(2) . . . . ?
C54 C53 C58 C57 -2(2) . . . . ?
C64 C59 C60 C61 -0.6(16) . . . . ?
C59 C60 C61 C62 -1.5(16) . . . . ?
C60 C61 C62 C63 3.4(18) . . . . ?
C61 C62 C63 C64 -3.3(19) . . . . ?
C60 C59 C64 C63 0.8(16) . . . . ?
C62 C63 C64 C59 1.2(18) . . . . ?
