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#$Date: 2025-04-05 06:31:19 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298971 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/33/1573390.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_1573390
loop_
_publ_author_name
'Ni, Yu-Rong'
'Pillay, Michael N.'
'Chiu, Tzu-Hao'
'Liang, Hao'
'Kahlal, Samia'
'Chen, Jie-Ying'
'Chen, Yuan-Jang'
'Saillard, Jean-Yves'
'Liu, C. W.'
_publ_section_title
;
 Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise
 nanoclusters.
;
_journal_issue                   4
_journal_name_full               Nanoscale
_journal_page_first              1990
_journal_page_last               1996
_journal_paper_doi               10.1039/d4nr04136d
_journal_volume                  17
_journal_year                    2025
_chemical_formula_sum            'C96 H216 Ag14 O24 P12 Pd6 S25'
_chemical_formula_weight         5076.40
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-26 deposited with the CCDC.	2024-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                119.776(6)
_cell_angle_beta                 93.951(10)
_cell_angle_gamma                103.556(7)
_cell_formula_units_Z            1
_cell_length_a                   15.605(5)
_cell_length_b                   18.060(5)
_cell_length_c                   18.102(8)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.22
_cell_volume                     4200(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            48336
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.611
_exptl_absorpt_coefficient_mu    2.692
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6206
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_description       block
_exptl_crystal_F_000             2498
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.107
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     800
_refine_ls_number_reflns         14786
_refine_ls_number_restraints     518
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0976P)²+19.1642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1816
_refine_ls_wR_factor_ref         0.2312
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9005
_reflns_number_total             14786
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nr04136d2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1573388--1573390.cif.'
_cod_database_code               1573390
_shelx_shelxl_version_number     2018/3
_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_estimated_absorpt_t_min   0.629
_shelx_estimated_absorpt_t_max   0.721
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
Ag1 Ag 0.28456(7) 0.43818(7) 0.46678(7) 0.1038(3) Uani 1 1 d . . . . .
Ag2 Ag 0.37313(8) 0.31310(6) 0.51021(7) 0.1086(3) Uani 1 1 d . . . . .
Ag3 Ag 0.49578(9) 0.23417(7) 0.40313(8) 0.1222(4) Uani 1 1 d . . . . .
Ag4 Ag 0.62498(8) 0.35589(7) 0.36885(6) 0.1047(3) Uani 1 1 d . . . . .
Ag5 Ag 0.64646(8) 0.57096(7) 0.70041(6) 0.1068(3) Uani 1 1 d . . . . .
Ag6 Ag 0.48651(9) 0.32773(8) 0.23485(7) 0.1231(4) Uani 1 1 d . . . . .
Ag7 Ag 0.51764(9) 0.40850(8) 0.66861(7) 0.1268(4) Uani 1 1 d . . . . .
C1 C 0.174(2) 0.561(2) 0.2467(18) 0.267(15) Uani 1 1 d D . . . .
H1A H 0.181330 0.502401 0.224113 0.321 Uiso 1 1 calc R U . . .
H1B H 0.232337 0.600329 0.252952 0.321 Uiso 1 1 calc R U . . .
C2 C 0.111(2) 0.5525(19) 0.1729(15) 0.44(3) Uani 1 1 d D . . . .
H2 H 0.064889 0.493861 0.136988 0.524 Uiso 1 1 calc R U . . .
C3 C 0.075(2) 0.629(3) 0.227(2) 0.37(2) Uani 1 1 d D U . . .
H3A H 0.124637 0.682873 0.263416 0.554 Uiso 1 1 calc R U . . .
H3B H 0.039613 0.615220 0.261979 0.554 Uiso 1 1 calc R U . . .
H3C H 0.038158 0.637277 0.188448 0.554 Uiso 1 1 calc R U . . .
C4 C 0.158(3) 0.588(4) 0.121(2) 0.54(4) Uani 1 1 d D . . . .
H4A H 0.186075 0.546001 0.082567 0.803 Uiso 1 1 calc R U . . .
H4B H 0.115085 0.596251 0.088055 0.803 Uiso 1 1 calc R U . . .
H4C H 0.203998 0.644526 0.160713 0.803 Uiso 1 1 calc R U . . .
C5 C 0.1355(19) 0.6772(15) 0.5077(17) 0.271(12) Uani 1 1 d D U . . .
H5A H 0.086920 0.671616 0.467045 0.325 Uiso 1 1 calc R U . . .
H5B H 0.185644 0.729213 0.522831 0.325 Uiso 1 1 calc R U . . .
C6 C 0.104(2) 0.6900(16) 0.5892(14) 0.270(14) Uani 1 1 d D . . . .
H6 H 0.142050 0.686216 0.631514 0.324 Uiso 1 1 calc R U . . .
C7 C 0.084(3) 0.7778(19) 0.6187(19) 0.36(2) Uani 1 1 d D . . . .
H7A H 0.139880 0.826332 0.646682 0.537 Uiso 1 1 calc R U . . .
H7B H 0.055298 0.775994 0.569012 0.537 Uiso 1 1 calc R U . . .
H7C H 0.045155 0.786626 0.659054 0.537 Uiso 1 1 calc R U . . .
C8 C 0.0100(18) 0.625(2) 0.548(3) 0.33(2) Uani 1 1 d D . . . .
H8A H 0.012550 0.565247 0.526456 0.496 Uiso 1 1 calc R U . . .
H8B H -0.026308 0.639420 0.591326 0.496 Uiso 1 1 calc R U . . .
H8C H -0.016165 0.628788 0.501284 0.496 Uiso 1 1 calc R U . . .
C9 C 0.132(2) 0.176(2) 0.1621(11) 0.262(13) Uani 1 1 d D . . . .
H9A H 0.113614 0.111335 0.135014 0.314 Uiso 1 1 calc R U . . .
H9B H 0.187461 0.192960 0.145161 0.314 Uiso 1 1 calc R U . . .
C10 C 0.0601(19) 0.1992(17) 0.1245(18) 0.303(18) Uani 1 1 d D . . . .
H10 H 0.064158 0.262139 0.148069 0.363 Uiso 1 1 calc R U . . .
C11 C -0.017(3) 0.139(3) 0.135(2) 0.41(3) Uani 1 1 d D . . . .
H11A H -0.023780 0.168458 0.194304 0.619 Uiso 1 1 calc R U . . .
H11B H -0.072378 0.125717 0.097145 0.619 Uiso 1 1 calc R U . . .
H11C H -0.005222 0.083781 0.119655 0.619 Uiso 1 1 calc R U . . .
C12 C 0.055(3) 0.138(3) 0.0283(19) 0.43(3) Uani 1 1 d D . . . .
H12A H 0.010982 0.145121 -0.005269 0.649 Uiso 1 1 calc R U . . .
H12B H 0.113118 0.153198 0.015606 0.649 Uiso 1 1 calc R U . . .
H12C H 0.038139 0.076760 0.013389 0.649 Uiso 1 1 calc R U . . .
C13 C 0.174(2) 0.0538(15) 0.321(2) 0.34(2) Uani 1 1 d D . . . .
H13A H 0.183655 0.100151 0.382391 0.409 Uiso 1 1 calc R U . . .
H13B H 0.228186 0.036033 0.314749 0.409 Uiso 1 1 calc R U . . .
C14 C 0.100(2) -0.0262(18) 0.307(2) 0.39(3) Uani 1 1 d D . . . .
H14 H 0.103340 -0.044785 0.349369 0.467 Uiso 1 1 calc R U . . .
C15 C 0.099(3) -0.0919(19) 0.213(3) 0.51(4) Uani 1 1 d D . . . .
H15A H 0.054435 -0.148433 0.192267 0.764 Uiso 1 1 calc R U . . .
H15B H 0.085084 -0.068610 0.177445 0.764 Uiso 1 1 calc R U . . .
H15C H 0.157568 -0.100357 0.208392 0.764 Uiso 1 1 calc R U . . .
C16 C 0.019(2) 0.001(3) 0.291(4) 0.55(4) Uani 1 1 d D . . . .
H16A H -0.035799 -0.044374 0.280435 0.827 Uiso 1 1 calc R U . . .
H16B H 0.021136 0.057078 0.341365 0.827 Uiso 1 1 calc R U . . .
H16C H 0.019319 0.006713 0.241220 0.827 Uiso 1 1 calc R U . . .
C17 C 0.6346(17) 0.007(2) 0.144(2) 0.273(11) Uani 1 1 d D U . A 1
H17A H 0.576349 -0.039101 0.121933 0.328 Uiso 1 1 calc R U . A 1
H17B H 0.655199 0.027246 0.204269 0.328 Uiso 1 1 calc R U . A 1
C18 C 0.7016(19) -0.0350(18) 0.0919(14) 0.304(12) Uani 1 1 d D U . A 1
H18 H 0.691302 -0.058675 0.029097 0.365 Uiso 1 1 calc R U . A 1
C19 C 0.706(2) -0.0977(19) 0.125(3) 0.389(18) Uani 1 1 d D U . A 1
H19A H 0.654340 -0.150910 0.092443 0.583 Uiso 1 1 calc R U . A 1
H19B H 0.760146 -0.113665 0.116295 0.583 Uiso 1 1 calc R U . A 1
H19C H 0.704646 -0.067874 0.185438 0.583 Uiso 1 1 calc R U . A 1
C20 C 0.7876(16) 0.040(2) 0.152(3) 0.390(17) Uani 1 1 d D U . A 1
H20A H 0.796168 0.087360 0.140236 0.585 Uiso 1 1 calc R U . A 1
H20B H 0.782671 0.063323 0.211679 0.585 Uiso 1 1 calc R U . A 1
H20C H 0.838171 0.017532 0.142536 0.585 Uiso 1 1 calc R U . A 1
C21 C 0.4017(17) 0.0192(17) 0.1097(16) 0.226(11) Uani 1 1 d D . . . .
H21A H 0.424866 -0.021940 0.062961 0.271 Uiso 1 1 calc R U . . .
H21B H 0.382809 0.056269 0.091553 0.271 Uiso 1 1 calc R U . . .
C22 C 0.3192(18) -0.0353(18) 0.1214(19) 0.279(16) Uani 1 1 d D . . . .
H22 H 0.303000 -0.002600 0.177717 0.335 Uiso 1 1 calc R U . . .
C23 C 0.247(3) -0.065(3) 0.043(3) 0.44(3) Uani 1 1 d D . . . .
H23A H 0.223168 -0.017167 0.054467 0.664 Uiso 1 1 calc R U . . .
H23B H 0.272580 -0.082002 -0.007305 0.664 Uiso 1 1 calc R U . . .
H23C H 0.199002 -0.116073 0.032956 0.664 Uiso 1 1 calc R U . . .
C24 C 0.363(3) -0.105(2) 0.113(3) 0.40(3) Uani 1 1 d D . . . .
H24A H 0.407472 -0.079596 0.165271 0.604 Uiso 1 1 calc R U . . .
H24B H 0.317620 -0.156152 0.104333 0.604 Uiso 1 1 calc R U . . .
H24C H 0.391198 -0.122081 0.064071 0.604 Uiso 1 1 calc R U . . .
C25 C 0.8268(17) 0.6596(14) 0.3299(16) 0.262(13) Uani 1 1 d D . . . .
H25A H 0.766782 0.658923 0.311056 0.314 Uiso 1 1 calc R U . . .
H25B H 0.852486 0.634954 0.278767 0.314 Uiso 1 1 calc R U . . .
C26 C 0.8842(17) 0.7566(13) 0.3928(16) 0.288(17) Uani 1 1 d D . . . .
H26 H 0.865409 0.792491 0.446730 0.346 Uiso 1 1 calc R U . . .
C27 C 0.9752(16) 0.743(2) 0.399(2) 0.46(3) Uani 1 1 d D . . . .
H27A H 0.981784 0.722762 0.438674 0.685 Uiso 1 1 calc R U . . .
H27B H 0.980110 0.698399 0.342411 0.685 Uiso 1 1 calc R U . . .
H27C H 1.021804 0.798327 0.419917 0.685 Uiso 1 1 calc R U . . .
C28 C 0.891(3) 0.787(2) 0.328(3) 0.54(4) Uani 1 1 d D . . . .
H28A H 0.836369 0.798864 0.317171 0.805 Uiso 1 1 calc R U . . .
H28B H 0.941323 0.840519 0.352519 0.805 Uiso 1 1 calc R U . . .
H28C H 0.899630 0.740591 0.275013 0.805 Uiso 1 1 calc R U . . .
C29 C 0.775(2) 0.3648(13) 0.1903(19) 0.301(16) Uani 1 1 d D . . . .
H29A H 0.724729 0.336419 0.140295 0.361 Uiso 1 1 calc R U . . .
H29B H 0.762459 0.339711 0.226406 0.361 Uiso 1 1 calc R U . . .
C30 C 0.8665(16) 0.3655(18) 0.1658(18) 0.341(16) Uani 1 1 d D U . . .
H30 H 0.919787 0.403057 0.213951 0.409 Uiso 1 1 calc R U . . .
C31 C 0.850(3) 0.265(2) 0.118(3) 0.44(2) Uani 1 1 d D U . . .
H31A H 0.847921 0.245722 0.158523 0.665 Uiso 1 1 calc R U . . .
H31B H 0.794163 0.234476 0.075279 0.665 Uiso 1 1 calc R U . . .
H31C H 0.898755 0.250912 0.088679 0.665 Uiso 1 1 calc R U . . .
C32 C 0.867(3) 0.376(3) 0.087(3) 0.46(3) Uani 1 1 d D . . . .
H32A H 0.876891 0.437798 0.106221 0.684 Uiso 1 1 calc R U . . .
H32B H 0.914681 0.356514 0.059829 0.684 Uiso 1 1 calc R U . . .
H32C H 0.810090 0.340078 0.046429 0.684 Uiso 1 1 calc R U . . .
C33 C 0.6027(15) 0.158(3) 0.605(2) 0.378(15) Uani 1 1 d D U . . .
H33A H 0.646040 0.188892 0.585735 0.454 Uiso 1 1 calc R U . . .
H33B H 0.588356 0.093886 0.563329 0.454 Uiso 1 1 calc R U . . .
C34 C 0.646(3) 0.179(4) 0.694(2) 0.413(17) Uani 1 1 d D U . . .
H34 H 0.661371 0.244147 0.734263 0.495 Uiso 1 1 calc R U . . .
C35 C 0.734(2) 0.161(4) 0.672(3) 0.49(2) Uani 1 1 d D U . . .
H35A H 0.776660 0.213654 0.680933 0.740 Uiso 1 1 calc R U . . .
H35B H 0.758783 0.143573 0.709643 0.740 Uiso 1 1 calc R U . . .
H35C H 0.722856 0.112729 0.612579 0.740 Uiso 1 1 calc R U . . .
C36 C 0.552(3) 0.137(4) 0.699(4) 0.53(3) Uani 1 1 d D U . . .
H36A H 0.520007 0.181009 0.718253 0.801 Uiso 1 1 calc R U . . .
H36B H 0.519703 0.086881 0.642117 0.801 Uiso 1 1 calc R U . . .
H36C H 0.555630 0.117726 0.739182 0.801 Uiso 1 1 calc R U . . .
C37 C 0.347(2) 0.058(2) 0.633(2) 0.392(15) Uani 1 1 d D U . . .
H37A H 0.369076 0.110433 0.691504 0.470 Uiso 1 1 calc R U . . .
H37B H 0.377671 0.015485 0.626338 0.470 Uiso 1 1 calc R U . . .
C38 C 0.245(2) 0.016(2) 0.6167(19) 0.421(17) Uani 1 1 d D U . . .
H38 H 0.216070 0.030075 0.666434 0.505 Uiso 1 1 calc R U . . .
C39 C 0.215(3) 0.039(3) 0.551(4) 0.54(3) Uani 1 1 d D U . . .
H39A H 0.214456 0.100281 0.580840 0.813 Uiso 1 1 calc R U . . .
H39B H 0.257295 0.032546 0.512926 0.813 Uiso 1 1 calc R U . . .
H39C H 0.156164 -0.000177 0.516433 0.813 Uiso 1 1 calc R U . . .
C40 C 0.240(3) -0.0803(17) 0.552(3) 0.47(2) Uani 1 1 d D U . . .
H40A H 0.257451 -0.106426 0.583899 0.699 Uiso 1 1 calc R U . . .
H40B H 0.179892 -0.114088 0.518211 0.699 Uiso 1 1 calc R U . . .
H40C H 0.281022 -0.081365 0.514704 0.699 Uiso 1 1 calc R U . . .
C41 C 0.764(2) 0.640(3) 0.983(3) 0.371(14) Uani 1 1 d D U . . .
H41A H 0.789355 0.673054 0.956962 0.445 Uiso 1 1 calc R U . . .
H41B H 0.767065 0.579332 0.948954 0.445 Uiso 1 1 calc R U . . .
C42 C 0.816(3) 0.686(4) 1.077(3) 0.409(16) Uani 1 1 d D U . . .
H42 H 0.821726 0.747870 1.095317 0.491 Uiso 1 1 calc R U . . .
C43 C 0.909(3) 0.686(4) 1.058(3) 0.48(2) Uani 1 1 d D U . . .
H43A H 0.916735 0.700724 1.013993 0.719 Uiso 1 1 calc R U . . .
H43B H 0.954800 0.729008 1.109802 0.719 Uiso 1 1 calc R U . . .
H43C H 0.915317 0.627117 1.036464 0.719 Uiso 1 1 calc R U . . .
C44 C 0.745(4) 0.673(4) 1.128(3) 0.50(3) Uani 1 1 d D U . . .
H44A H 0.692506 0.683827 1.109641 0.750 Uiso 1 1 calc R U . . .
H44B H 0.729864 0.613141 1.115577 0.750 Uiso 1 1 calc R U . . .
H44C H 0.769348 0.715032 1.188915 0.750 Uiso 1 1 calc R U . . .
C45 C 0.468(2) 0.578(2) 0.969(3) 0.41(2) Uani 1 1 d D . . . .
H45A H 0.503695 0.565128 1.004613 0.487 Uiso 1 1 calc R U . . .
H45B H 0.422938 0.523369 0.923852 0.487 Uiso 1 1 calc R U . . .
C46 C 0.425(2) 0.649(2) 1.025(2) 0.44(2) Uani 1 1 d D U . . .
H46 H 0.431259 0.686036 0.998794 0.534 Uiso 1 1 calc R U . . .
C47 C 0.3267(18) 0.590(3) 0.986(3) 0.50(2) Uani 1 1 d D U . . .
H47A H 0.312225 0.571046 0.925001 0.754 Uiso 1 1 calc R U . . .
H47B H 0.317798 0.539079 0.990908 0.754 Uiso 1 1 calc R U . . .
H47C H 0.288055 0.624230 1.015893 0.754 Uiso 1 1 calc R U . . .
C48 C 0.502(3) 0.705(4) 1.1053(15) 0.50(2) Uani 1 1 d D U . . .
H48A H 0.554747 0.729793 1.090707 0.750 Uiso 1 1 calc R U . . .
H48B H 0.484930 0.753098 1.150411 0.750 Uiso 1 1 calc R U . . .
H48C H 0.514673 0.667947 1.125427 0.750 Uiso 1 1 calc R U . . .
O1 O 0.1641(10) 0.5885(10) 0.3267(10) 0.191(6) Uani 1 1 d D . . . .
O2 O 0.1631(11) 0.5997(12) 0.4679(11) 0.212(6) Uani 1 1 d D . . . .
O3 O 0.1517(10) 0.2155(9) 0.2534(9) 0.188(5) Uani 1 1 d D . . . .
O4 O 0.1711(10) 0.0981(8) 0.2728(10) 0.200(6) Uani 1 1 d . . . . .
O5 O 0.6243(13) 0.0740(9) 0.1388(9) 0.208(7) Uani 1 1 d . . . . .
O6 O 0.4706(10) 0.0735(8) 0.1827(7) 0.158(4) Uani 1 1 d . . . . .
O7 O 0.8186(10) 0.6032(9) 0.3629(10) 0.194(6) Uani 1 1 d D . . . .
O8 O 0.8000(11) 0.4603(12) 0.2379(10) 0.197(6) Uani 1 1 d D . . . .
O9 O 0.5214(12) 0.1828(12) 0.6040(13) 0.236(7) Uani 1 1 d D U . . .
O10 O 0.3656(14) 0.0856(12) 0.5689(12) 0.246(7) Uani 1 1 d D U . . .
O11 O 0.6722(17) 0.6384(15) 0.9866(13) 0.257(8) Uani 1 1 d D U . . .
O12 O 0.5239(16) 0.6204(15) 0.9332(12) 0.267(9) Uani 1 1 d D . . . .
P1 P 0.2172(3) 0.5711(3) 0.3883(3) 0.1312(14) Uani 1 1 d . . . . .
P2 P 0.2183(3) 0.1981(3) 0.3083(3) 0.1287(13) Uani 1 1 d . . . . .
P3 P 0.5671(4) 0.1366(3) 0.1960(3) 0.1280(14) Uani 1 1 d . . . . .
P4 P 0.7559(3) 0.5027(3) 0.3168(3) 0.1302(14) Uani 1 1 d . . . . .
P5 P 0.4198(5) 0.1632(3) 0.5542(4) 0.162(2) Uani 1 1 d D . . . .
P6 P 0.6201(5) 0.6008(4) 0.8970(3) 0.164(2) Uani 1 1 d . . . . .
Pd1 Pd 0.42291(7) 0.57639(6) 0.46894(5) 0.0880(3) Uani 1 1 d . . . . .
Pd2 Pd 0.56433(7) 0.49845(6) 0.39183(6) 0.0888(3) Uani 1 1 d . . . . .
Pd3 Pd 0.42125(7) 0.35877(6) 0.39003(6) 0.0893(3) Uani 1 1 d . . . . .
S1 S 0.1967(3) 0.4405(3) 0.3375(3) 0.1294(12) Uani 1 1 d . . . . .
S2 S 0.3434(3) 0.6528(3) 0.4301(2) 0.1200(11) Uani 1 1 d . . . . .
S3 S 0.2069(3) 0.2747(3) 0.4305(3) 0.1284(13) Uani 1 1 d . . . . .
S4 S 0.3395(3) 0.2092(2) 0.2797(2) 0.1201(11) Uani 1 1 d . . . . .
S5 S 0.5588(4) 0.2112(3) 0.1481(3) 0.1522(17) Uani 1 1 d . . . . .
S6 S 0.6238(3) 0.1963(3) 0.3221(3) 0.1357(14) Uani 1 1 d . . . . .
S7 S 0.6287(3) 0.4884(3) 0.2740(3) 0.1210(12) Uani 1 1 d . . . . .
S8 S 0.7836(3) 0.4668(3) 0.4005(3) 0.1277(12) Uani 1 1 d . . . . .
S9 S 0.4144(5) 0.1203(3) 0.4326(4) 0.199(3) Uani 1 1 d . . . . .
S10 S 0.3831(4) 0.2708(3) 0.6269(3) 0.1474(16) Uani 1 1 d . . . . .
S11 S 0.6067(5) 0.4758(4) 0.8168(3) 0.193(3) Uani 1 1 d . . . . .
S12 S 0.6556(3) 0.6877(3) 0.8610(2) 0.1397(14) Uani 1 1 d . . . . .
S13 S 0.500000 0.500000 0.500000 0.0864(11) Uani 1 2 d S . P . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
S3 Ag1 S8 101.37(14) . 2_666 ?
S3 Ag1 S1 102.76(14) . . ?
S8 Ag1 S1 102.63(14) 2_666 . ?
S3 Ag1 Pd1 154.87(11) . . ?
S8 Ag1 Pd1 101.67(10) 2_666 . ?
S1 Ag1 Pd1 81.82(10) . . ?
S3 Ag1 Pd3 81.64(10) . . ?
S8 Ag1 Pd3 153.49(11) 2_666 . ?
S1 Ag1 Pd3 102.32(11) . . ?
Pd1 Ag1 Pd3 73.26(4) . . ?
S3 Ag1 Pd2 101.44(11) . 2_666 ?
S8 Ag1 Pd2 81.04(11) 2_666 2_666 ?
S1 Ag1 Pd2 154.23(11) . 2_666 ?
Pd1 Ag1 Pd2 72.50(4) . 2_666 ?
Pd3 Ag1 Pd2 72.60(4) . 2_666 ?
S3 Ag1 Ag5 109.52(10) . 2_666 ?
S8 Ag1 Ag5 143.11(10) 2_666 2_666 ?
S1 Ag1 Ag5 51.74(10) . 2_666 ?
Pd1 Ag1 Ag5 53.95(3) . 2_666 ?
Pd3 Ag1 Ag5 54.22(3) . 2_666 ?
Pd2 Ag1 Ag5 111.09(5) 2_666 2_666 ?
S3 Ag1 Ag4 141.64(11) . 2_666 ?
S8 Ag1 Ag4 51.17(10) 2_666 2_666 ?
S1 Ag1 Ag4 108.81(11) . 2_666 ?
Pd1 Ag1 Ag4 53.84(4) . 2_666 ?
Pd3 Ag1 Ag4 111.45(4) . 2_666 ?
Pd2 Ag1 Ag4 53.61(3) 2_666 2_666 ?
Ag5 Ag1 Ag4 107.01(4) 2_666 2_666 ?
S3 Ag1 Ag2 51.61(11) . . ?
S8 Ag1 Ag2 108.36(11) 2_666 . ?
S1 Ag1 Ag2 142.78(10) . . ?
Pd1 Ag1 Ag2 110.81(5) . . ?
Pd3 Ag1 Ag2 53.01(3) . . ?
Pd2 Ag1 Ag2 53.72(3) 2_666 . ?
Ag5 Ag1 Ag2 106.51(4) 2_666 . ?
Ag4 Ag1 Ag2 106.55(5) 2_666 . ?
S10 Ag2 S3 114.14(16) . . ?
S10 Ag2 Pd3 161.02(13) . . ?
S3 Ag2 Pd3 83.97(10) . . ?
S10 Ag2 Pd2 103.63(12) . 2_666 ?
S3 Ag2 Pd2 103.77(10) . 2_666 ?
Pd3 Ag2 Pd2 75.89(4) . 2_666 ?
S10 Ag2 Ag3 103.91(13) . . ?
S3 Ag2 Ag3 117.79(11) . . ?
Pd3 Ag2 Ag3 60.35(4) . . ?
Pd2 Ag2 Ag3 112.95(5) 2_666 . ?
S10 Ag2 Ag7 55.09(12) . . ?
S3 Ag2 Ag7 151.47(11) . . ?
Pd3 Ag2 Ag7 111.46(5) . . ?
Pd2 Ag2 Ag7 60.06(4) 2_666 . ?
Ag3 Ag2 Ag7 90.71(6) . . ?
S10 Ag2 Pd1 105.00(13) . 2_666 ?
S3 Ag2 Pd1 140.16(10) . 2_666 ?
Pd3 Ag2 Pd1 58.18(3) . 2_666 ?
Pd2 Ag2 Pd1 58.22(3) 2_666 2_666 ?
Ag3 Ag2 Pd1 56.01(4) . 2_666 ?
Ag7 Ag2 Pd1 54.46(4) . 2_666 ?
S10 Ag2 Ag1 139.05(12) . . ?
S3 Ag2 Ag1 51.47(9) . . ?
Pd3 Ag2 Ag1 56.56(3) . . ?
Pd2 Ag2 Ag1 56.36(4) 2_666 . ?
Ag3 Ag2 Ag1 116.65(5) . . ?
Ag7 Ag2 Ag1 116.28(5) . . ?
Pd1 Ag2 Ag1 93.60(4) 2_666 . ?
S9 Ag3 S6 114.8(2) . . ?
S9 Ag3 Pd3 124.4(2) . . ?
S6 Ag3 Pd3 116.38(11) . . ?
S9 Ag3 Pd1 125.72(14) . 2_666 ?
S6 Ag3 Pd1 101.68(11) . 2_666 ?
Pd3 Ag3 Pd1 61.44(4) . 2_666 ?
S9 Ag3 Ag2 74.88(18) . . ?
S6 Ag3 Ag2 168.81(11) . . ?
Pd3 Ag3 Ag2 57.38(4) . . ?
Pd1 Ag3 Ag2 67.32(4) 2_666 . ?
S9 Ag3 Ag4 168.0(2) . . ?
S6 Ag3 Ag4 54.67(11) . . ?
Pd3 Ag3 Ag4 67.62(4) . . ?
Pd1 Ag3 Ag4 57.20(4) 2_666 . ?
Ag2 Ag3 Ag4 115.02(5) . . ?
S6 Ag4 S8 114.89(15) . . ?
S6 Ag4 Pd2 160.45(12) . . ?
S8 Ag4 Pd2 83.52(10) . . ?
S6 Ag4 Pd1 104.67(11) . 2_666 ?
S8 Ag4 Pd1 104.41(10) . 2_666 ?
Pd2 Ag4 Pd1 75.17(4) . 2_666 ?
S6 Ag4 Ag6 103.42(11) . . ?
S8 Ag4 Ag6 116.71(11) . . ?
Pd2 Ag4 Ag6 60.12(4) . . ?
Pd1 Ag4 Ag6 112.32(5) 2_666 . ?
S6 Ag4 Ag3 55.20(11) . . ?
S8 Ag4 Ag3 152.44(11) . . ?
Pd2 Ag4 Ag3 111.32(5) . . ?
Pd1 Ag4 Ag3 60.28(4) 2_666 . ?
Ag6 Ag4 Ag3 90.81(5) . . ?
S6 Ag4 Pd3 105.21(12) . . ?
S8 Ag4 Pd3 139.45(10) . . ?
Pd2 Ag4 Pd3 57.65(3) . . ?
Pd1 Ag4 Pd3 57.73(3) 2_666 . ?
Ag6 Ag4 Pd3 55.90(4) . . ?
Ag3 Ag4 Pd3 54.83(4) . . ?
S6 Ag4 Ag1 139.74(11) . 2_666 ?
S8 Ag4 Ag1 51.96(10) . 2_666 ?
Pd2 Ag4 Ag1 56.56(4) . 2_666 ?
Pd1 Ag4 Ag1 55.96(3) 2_666 2_666 ?
Ag6 Ag4 Ag1 116.43(5) . 2_666 ?
Ag3 Ag4 Ag1 116.06(5) . 2_666 ?
Pd3 Ag4 Ag1 93.09(4) . 2_666 ?
S12 Ag5 S1 114.11(15) . 2_666 ?
S12 Ag5 Pd1 160.53(13) . 2_666 ?
S1 Ag5 Pd1 84.30(10) 2_666 2_666 ?
S12 Ag5 Pd3 103.18(11) . 2_666 ?
S1 Ag5 Pd3 105.96(11) 2_666 2_666 ?
Pd1 Ag5 Pd3 76.12(5) 2_666 2_666 ?
S12 Ag5 Ag7 104.04(12) . . ?
S1 Ag5 Ag7 116.61(11) 2_666 . ?
Pd1 Ag5 Ag7 59.77(4) 2_666 . ?
Pd3 Ag5 Ag7 112.28(5) 2_666 . ?
S12 Ag5 Ag6 54.70(11) . 2_666 ?
S1 Ag5 Ag6 152.56(11) 2_666 2_666 ?
Pd1 Ag5 Ag6 111.51(5) 2_666 2_666 ?
Pd3 Ag5 Ag6 59.54(4) 2_666 2_666 ?
Ag7 Ag5 Ag6 90.83(5) . 2_666 ?
S12 Ag5 Ag1 139.38(12) . 2_666 ?
S1 Ag5 Ag1 52.86(10) 2_666 2_666 ?
Pd1 Ag5 Ag1 56.62(4) 2_666 2_666 ?
Pd3 Ag5 Ag1 56.99(4) 2_666 2_666 ?
Ag7 Ag5 Ag1 116.14(4) . 2_666 ?
Ag6 Ag5 Ag1 116.38(4) 2_666 2_666 ?
S12 Ag5 Pd2 104.41(12) . 2_666 ?
S1 Ag5 Pd2 141.06(10) 2_666 2_666 ?
Pd1 Ag5 Pd2 58.35(3) 2_666 2_666 ?
Pd3 Ag5 Pd2 57.76(3) 2_666 2_666 ?
Ag7 Ag5 Pd2 55.83(4) . 2_666 ?
Ag6 Ag5 Pd2 54.32(4) 2_666 2_666 ?
Ag1 Ag5 Pd2 93.72(4) 2_666 2_666 ?
S5 Ag6 S12 111.27(17) . 2_666 ?
S5 Ag6 Pd2 129.34(15) . . ?
S12 Ag6 Pd2 115.43(11) 2_666 . ?
S5 Ag6 Pd3 127.03(11) . . ?
S12 Ag6 Pd3 100.52(12) 2_666 . ?
Pd2 Ag6 Pd3 61.54(4) . . ?
S5 Ag6 Ag4 78.29(14) . . ?
S12 Ag6 Ag4 168.55(11) 2_666 . ?
Pd2 Ag6 Ag4 58.36(4) . . ?
Pd3 Ag6 Ag4 68.17(5) . . ?
S5 Ag6 S7 99.45(16) . . ?
S12 Ag6 S7 107.93(14) 2_666 . ?
Pd2 Ag6 S7 48.29(8) . . ?
Pd3 Ag6 S7 109.83(8) . . ?
Ag4 Ag6 S7 75.60(9) . . ?
S5 Ag6 Ag5 163.80(15) . 2_666 ?
S12 Ag6 Ag5 54.22(10) 2_666 2_666 ?
Pd2 Ag6 Ag5 66.86(4) . 2_666 ?
Pd3 Ag6 Ag5 56.81(3) . 2_666 ?
Ag4 Ag6 Ag5 115.37(5) . 2_666 ?
S7 Ag6 Ag5 92.71(9) . 2_666 ?
S11 Ag7 S10 111.5(2) . . ?
S11 Ag7 Pd1 127.1(2) . 2_666 ?
S10 Ag7 Pd1 117.43(11) . 2_666 ?
S11 Ag7 Pd2 125.24(14) . 2_666 ?
S10 Ag7 Pd2 101.93(13) . 2_666 ?
Pd1 Ag7 Pd2 62.30(4) 2_666 2_666 ?
S11 Ag7 Ag5 76.28(17) . . ?
S10 Ag7 Ag5 169.84(13) . . ?
Pd1 Ag7 Ag5 58.14(4) 2_666 . ?
Pd2 Ag7 Ag5 67.93(4) 2_666 . ?
S11 Ag7 Ag2 165.1(2) . . ?
S10 Ag7 Ag2 55.41(11) . . ?
Pd1 Ag7 Ag2 67.77(5) 2_666 . ?
Pd2 Ag7 Ag2 57.68(4) 2_666 . ?
Ag5 Ag7 Ag2 115.89(5) . . ?
S11 Ag7 S2 98.3(2) . 2_666 ?
S10 Ag7 S2 109.08(14) . 2_666 ?
Pd1 Ag7 S2 48.02(8) 2_666 2_666 ?
Pd2 Ag7 S2 110.31(8) 2_666 2_666 ?
Ag5 Ag7 S2 75.20(9) . 2_666 ?
Ag2 Ag7 S2 93.43(9) . 2_666 ?
O1 C1 C2 128(2) . . ?
O1 C1 H1A 105.3 . . ?
C2 C1 H1A 105.3 . . ?
O1 C1 H1B 105.3 . . ?
C2 C1 H1B 105.3 . . ?
H1A C1 H1B 106.0 . . ?
C3 C2 C4 98.6(9) . . ?
C3 C2 C1 98.5(9) . . ?
C4 C2 C1 115(3) . . ?
C3 C2 H2 114.3 . . ?
C4 C2 H2 114.3 . . ?
C1 C2 H2 114.3 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 C5 C6 111(2) . . ?
O2 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C8 C6 C7 101(3) . . ?
C8 C6 C5 99.5(9) . . ?
C7 C6 C5 98.4(8) . . ?
C8 C6 H6 118.1 . . ?
C7 C6 H6 118.1 . . ?
C5 C6 H6 118.1 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C9 C10 117(2) . . ?
O3 C9 H9A 108.0 . . ?
C10 C9 H9A 108.0 . . ?
O3 C9 H9B 108.0 . . ?
C10 C9 H9B 108.0 . . ?
H9A C9 H9B 107.3 . . ?
C12 C10 C9 99(2) . . ?
C12 C10 C11 98.6(8) . . ?
C9 C10 C11 94(3) . . ?
C12 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O4 C13 C14 125(2) . . ?
O4 C13 H13A 106.0 . . ?
C14 C13 H13A 106.0 . . ?
O4 C13 H13B 106.0 . . ?
C14 C13 H13B 106.0 . . ?
H13A C13 H13B 106.3 . . ?
C13 C14 C15 98.3(9) . . ?
C13 C14 C16 98.6(9) . . ?
C15 C14 C16 98.1(9) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C16 C14 H14 119.1 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O5 C17 C18 114(2) . . ?
O5 C17 H17A 108.8 . . ?
C18 C17 H17A 108.8 . . ?
O5 C17 H17B 108.8 . . ?
C18 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C20 C18 C19 97.9(8) . . ?
C20 C18 C17 97.6(8) . . ?
C19 C18 C17 97.7(8) . . ?
C20 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O6 C21 C22 115(2) . . ?
O6 C21 H21A 108.6 . . ?
C22 C21 H21A 108.6 . . ?
O6 C21 H21B 108.6 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.5 . . ?
C24 C22 C23 115(3) . . ?
C24 C22 C21 93(3) . . ?
C23 C22 C21 103(3) . . ?
C24 C22 H22 114.2 . . ?
C23 C22 H22 114.2 . . ?
C21 C22 H22 114.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O7 C25 C26 115.7(17) . . ?
O7 C25 H25A 108.3 . . ?
C26 C25 H25A 108.3 . . ?
O7 C25 H25B 108.3 . . ?
C26 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C27 C26 C28 99.0(9) . . ?
C27 C26 C25 99.0(8) . . ?
C28 C26 C25 98.5(8) . . ?
C27 C26 H26 118.7 . . ?
C28 C26 H26 118.7 . . ?
C25 C26 H26 118.7 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O8 C29 C30 91.9(18) . . ?
O8 C29 H29A 113.3 . . ?
C30 C29 H29A 113.3 . . ?
O8 C29 H29B 113.3 . . ?
C30 C29 H29B 113.3 . . ?
H29A C29 H29B 110.6 . . ?
C31 C30 C32 97.9(8) . . ?
C31 C30 C29 97.4(8) . . ?
C32 C30 C29 109.4(10) . . ?
C31 C30 H30 116.4 . . ?
C32 C30 H30 116.4 . . ?
C29 C30 H30 116.4 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O9 C33 C34 114(3) . . ?
O9 C33 H33A 108.8 . . ?
C34 C33 H33A 108.8 . . ?
O9 C33 H33B 108.8 . . ?
C34 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C35 C34 C36 144(6) . . ?
C35 C34 C33 97.5(8) . . ?
C36 C34 C33 86(4) . . ?
C35 C34 H34 106.7 . . ?
C36 C34 H34 106.7 . . ?
C33 C34 H34 106.7 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O10 C37 C38 109.5(18) . . ?
O10 C37 H37A 109.8 . . ?
C38 C37 H37A 109.8 . . ?
O10 C37 H37B 109.8 . . ?
C38 C37 H37B 109.8 . . ?
H37A C37 H37B 108.2 . . ?
C40 C38 C39 98.0(9) . . ?
C40 C38 C37 97.3(8) . . ?
C39 C38 C37 97.3(8) . . ?
C40 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O11 C41 C42 107(3) . . ?
O11 C41 H41A 110.3 . . ?
C42 C41 H41A 110.3 . . ?
O11 C41 H41B 110.3 . . ?
C42 C41 H41B 110.3 . . ?
H41A C41 H41B 108.5 . . ?
C43 C42 C44 150(6) . . ?
C43 C42 C41 97(3) . . ?
C44 C42 C41 105(4) . . ?
C43 C42 H42 98.0 . . ?
C44 C42 H42 98.0 . . ?
C41 C42 H42 98.0 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O12 C45 C46 102.5(9) . . ?
O12 C45 H45A 111.3 . . ?
C46 C45 H45A 111.3 . . ?
O12 C45 H45B 111.3 . . ?
C46 C45 H45B 111.3 . . ?
H45A C45 H45B 109.2 . . ?
C47 C46 C48 147(4) . . ?
C47 C46 C45 97.7(9) . . ?
C48 C46 C45 97(3) . . ?
C47 C46 H46 102.4 . . ?
C48 C46 H46 102.4 . . ?
C45 C46 H46 102.4 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C1 O1 P1 123.2(15) . . ?
C5 O2 P1 125.8(15) . . ?
C9 O3 P2 127.4(16) . . ?
C13 O4 P2 125.5(14) . . ?
C17 O5 P3 123.4(17) . . ?
C21 O6 P3 130.1(14) . . ?
C25 O7 P4 127.2(15) . . ?
C29 O8 P4 115.2(13) . . ?
C33 O9 P5 150(2) . . ?
C37 O10 P5 146.4(18) . . ?
C41 O11 P6 109(3) . . ?
C45 O12 P6 128.1(18) . . ?
O1 P1 O2 101.5(9) . . ?
O1 P1 S2 108.6(7) . . ?
O2 P1 S2 110.9(7) . . ?
O1 P1 S1 111.5(7) . . ?
O2 P1 S1 104.2(7) . . ?
S2 P1 S1 118.8(3) . . ?
O4 P2 O3 100.3(9) . . ?
O4 P2 S4 107.7(6) . . ?
O3 P2 S4 112.6(7) . . ?
O4 P2 S3 110.9(7) . . ?
O3 P2 S3 103.7(6) . . ?
S4 P2 S3 119.8(3) . . ?
O6 P3 O5 107.8(8) . . ?
O6 P3 S5 111.2(6) . . ?
O5 P3 S5 104.9(6) . . ?
O6 P3 S6 105.0(5) . . ?
O5 P3 S6 108.7(7) . . ?
S5 P3 S6 118.8(3) . . ?
O8 P4 O7 98.6(8) . . ?
O8 P4 S8 111.1(7) . . ?
O7 P4 S8 103.9(6) . . ?
O8 P4 S7 109.1(7) . . ?
O7 P4 S7 112.1(7) . . ?
S8 P4 S7 120.0(3) . . ?
O10 P5 O9 98.8(10) . . ?
O10 P5 S9 112.1(7) . . ?
O9 P5 S9 110.8(8) . . ?
O10 P5 S10 107.2(8) . . ?
O9 P5 S10 106.5(7) . . ?
S9 P5 S10 119.4(4) . . ?
O11 P6 O12 92.7(11) . . ?
O11 P6 S11 114.3(9) . . ?
O12 P6 S11 114.2(9) . . ?
O11 P6 S12 109.9(9) . . ?
O12 P6 S12 101.7(8) . . ?
S11 P6 S12 120.0(3) . . ?
S13 Pd1 S2 177.45(10) . . ?
S13 Pd1 Ag5 90.14(4) . 2_666 ?
S2 Pd1 Ag5 87.74(10) . 2_666 ?
S13 Pd1 Ag4 90.60(4) . 2_666 ?
S2 Pd1 Ag4 91.93(11) . 2_666 ?
Ag5 Pd1 Ag4 138.11(5) 2_666 2_666 ?
S13 Pd1 Ag7 108.66(5) . 2_666 ?
S2 Pd1 Ag7 69.07(11) . 2_666 ?
Ag5 Pd1 Ag7 62.09(5) 2_666 2_666 ?
Ag4 Pd1 Ag7 153.48(5) 2_666 2_666 ?
S13 Pd1 Ag1 75.87(4) . . ?
S2 Pd1 Ag1 104.66(12) . . ?
Ag5 Pd1 Ag1 69.43(4) 2_666 . ?
Ag4 Pd1 Ag1 70.20(4) 2_666 . ?
Ag7 Pd1 Ag1 131.18(5) 2_666 . ?
S13 Pd1 Ag3 108.30(5) . 2_666 ?
S2 Pd1 Ag3 73.25(10) . 2_666 ?
Ag5 Pd1 Ag3 153.58(5) 2_666 2_666 ?
Ag4 Pd1 Ag3 62.51(4) 2_666 2_666 ?
Ag7 Pd1 Ag3 93.46(5) 2_666 2_666 ?
Ag1 Pd1 Ag3 132.45(5) . 2_666 ?
S13 Pd1 Pd3 49.54(3) . 2_666 ?
S2 Pd1 Pd3 131.99(10) . 2_666 ?
Ag5 Pd1 Pd3 136.16(5) 2_666 2_666 ?
Ag4 Pd1 Pd3 68.62(4) 2_666 2_666 ?
Ag7 Pd1 Pd3 109.92(5) 2_666 2_666 ?
Ag1 Pd1 Pd3 108.52(4) . 2_666 ?
Ag3 Pd1 Pd3 58.77(4) 2_666 2_666 ?
S13 Pd1 Pd2 48.97(3) . . ?
S2 Pd1 Pd2 128.74(11) . . ?
Ag5 Pd1 Pd2 68.37(4) 2_666 . ?
Ag4 Pd1 Pd2 136.16(4) 2_666 . ?
Ag7 Pd1 Pd2 59.68(4) 2_666 . ?
Ag1 Pd1 Pd2 107.67(4) . . ?
Ag3 Pd1 Pd2 109.40(5) 2_666 . ?
Pd3 Pd1 Pd2 71.24(4) 2_666 . ?
S13 Pd1 Ag2 79.72(4) . 2_666 ?
S2 Pd1 Ag2 99.72(11) . 2_666 ?
Ag5 Pd1 Ag2 110.82(4) 2_666 2_666 ?
Ag4 Pd1 Ag2 110.50(4) 2_666 2_666 ?
Ag7 Pd1 Ag2 57.77(4) 2_666 2_666 ?
Ag1 Pd1 Ag2 155.59(4) . 2_666 ?
Ag3 Pd1 Ag2 56.67(4) 2_666 2_666 ?
Pd3 Pd1 Ag2 53.30(4) 2_666 2_666 ?
Pd2 Pd1 Ag2 53.92(4) . 2_666 ?
S13 Pd2 S7 176.95(11) . . ?
S13 Pd2 Ag4 90.87(4) . . ?
S7 Pd2 Ag4 86.93(10) . . ?
S13 Pd2 Ag2 89.65(4) . 2_666 ?
S7 Pd2 Ag2 93.40(10) . 2_666 ?
Ag4 Pd2 Ag2 138.20(5) . 2_666 ?
S13 Pd2 Ag6 109.51(5) . . ?
S7 Pd2 Ag6 67.56(11) . . ?
Ag4 Pd2 Ag6 61.53(4) . . ?
Ag2 Pd2 Ag6 153.85(5) 2_666 . ?
S13 Pd2 Ag7 107.30(5) . 2_666 ?
S7 Pd2 Ag7 74.12(10) . 2_666 ?
Ag4 Pd2 Ag7 153.98(5) . 2_666 ?
Ag2 Pd2 Ag7 62.26(4) 2_666 2_666 ?
Ag6 Pd2 Ag7 94.27(5) . 2_666 ?
S13 Pd2 Ag1 75.45(4) . 2_666 ?
S7 Pd2 Ag1 105.70(12) . 2_666 ?
Ag4 Pd2 Ag1 69.83(4) . 2_666 ?
Ag2 Pd2 Ag1 69.91(4) 2_666 2_666 ?
Ag6 Pd2 Ag1 131.01(5) . 2_666 ?
Ag7 Pd2 Ag1 131.98(5) 2_666 2_666 ?
S13 Pd2 Pd3 49.65(3) . . ?
S7 Pd2 Pd3 127.43(11) . . ?
Ag4 Pd2 Pd3 68.71(4) . . ?
Ag2 Pd2 Pd3 135.81(5) 2_666 . ?
Ag6 Pd2 Pd3 59.87(4) . . ?
Ag7 Pd2 Pd3 108.90(5) 2_666 . ?
Ag1 Pd2 Pd3 107.90(4) 2_666 . ?
S13 Pd2 Pd1 49.29(3) . . ?
S7 Pd2 Pd1 132.07(11) . . ?
Ag4 Pd2 Pd1 136.69(4) . . ?
Ag2 Pd2 Pd1 67.86(4) 2_666 . ?
Ag6 Pd2 Pd1 110.97(5) . . ?
Ag7 Pd2 Pd1 58.01(4) 2_666 . ?
Ag1 Pd2 Pd1 107.84(4) 2_666 . ?
Pd3 Pd2 Pd1 71.56(4) . . ?
S13 Pd2 Ag5 79.74(4) . 2_666 ?
S7 Pd2 Ag5 99.10(12) . 2_666 ?
Ag4 Pd2 Ag5 111.28(4) . 2_666 ?
Ag2 Pd2 Ag5 109.91(4) 2_666 2_666 ?
Ag6 Pd2 Ag5 58.82(4) . 2_666 ?
Ag7 Pd2 Ag5 56.24(4) 2_666 2_666 ?
Ag1 Pd2 Ag5 155.19(4) 2_666 2_666 ?
Pd3 Pd2 Ag5 53.88(3) . 2_666 ?
Pd1 Pd2 Ag5 53.28(4) . 2_666 ?
S13 Pd3 S4 177.44(10) . . ?
S13 Pd3 Ag2 90.28(5) . . ?
S4 Pd3 Ag2 87.33(10) . . ?
S13 Pd3 Ag5 89.57(5) . 2_666 ?
S4 Pd3 Ag5 92.82(11) . 2_666 ?
Ag2 Pd3 Ag5 137.83(5) . 2_666 ?
S13 Pd3 Ag3 109.29(5) . . ?
S4 Pd3 Ag3 68.75(11) . . ?
Ag2 Pd3 Ag3 62.27(4) . . ?
Ag5 Pd3 Ag3 153.91(5) 2_666 . ?
S13 Pd3 Ag6 107.87(5) . . ?
S4 Pd3 Ag6 74.07(10) . . ?
Ag2 Pd3 Ag6 153.33(5) . . ?
Ag5 Pd3 Ag6 63.65(4) 2_666 . ?
Ag3 Pd3 Ag6 92.74(5) . . ?
S13 Pd3 Ag1 75.33(4) . . ?
S4 Pd3 Ag1 104.68(11) . . ?
Ag2 Pd3 Ag1 70.43(4) . . ?
Ag5 Pd3 Ag1 68.79(4) 2_666 . ?
Ag3 Pd3 Ag1 132.34(5) . . ?
Ag6 Pd3 Ag1 132.22(4) . . ?
S13 Pd3 Pd2 49.28(3) . . ?
S4 Pd3 Pd2 132.65(11) . . ?
Ag2 Pd3 Pd2 135.99(4) . . ?
Ag5 Pd3 Pd2 68.37(4) 2_666 . ?
Ag3 Pd3 Pd2 110.06(5) . . ?
Ag6 Pd3 Pd2 58.60(4) . . ?
Ag1 Pd3 Pd2 107.52(4) . . ?
S13 Pd3 Pd1 49.49(3) . 2_666 ?
S4 Pd3 Pd1 128.53(11) . 2_666 ?
Ag2 Pd3 Pd1 68.52(4) . 2_666 ?
Ag5 Pd3 Pd1 135.64(4) 2_666 2_666 ?
Ag3 Pd3 Pd1 59.80(4) . 2_666 ?
Ag6 Pd3 Pd1 108.37(5) . 2_666 ?
Ag1 Pd3 Pd1 108.31(5) . 2_666 ?
Pd2 Pd3 Pd1 71.07(4) . 2_666 ?
S13 Pd3 Ag4 80.12(4) . . ?
S4 Pd3 Ag4 99.87(11) . . ?
Ag2 Pd3 Ag4 110.67(4) . . ?
Ag5 Pd3 Ag4 110.82(4) 2_666 . ?
Ag3 Pd3 Ag4 57.56(4) . . ?
Ag6 Pd3 Ag4 55.94(4) . . ?
Ag1 Pd3 Ag4 155.44(4) . . ?
Pd2 Pd3 Ag4 53.64(3) . . ?
Pd1 Pd3 Ag4 53.64(4) 2_666 . ?
P1 S1 Ag5 100.1(2) . 2_666 ?
P1 S1 Ag1 102.3(2) . . ?
Ag5 S1 Ag1 75.41(11) 2_666 . ?
P1 S2 Pd1 102.2(2) . . ?
P1 S2 Ag7 119.5(2) . 2_666 ?
Pd1 S2 Ag7 62.91(10) . 2_666 ?
P2 S3 Ag1 103.0(2) . . ?
P2 S3 Ag2 98.2(2) . . ?
Ag1 S3 Ag2 76.91(11) . . ?
P2 S4 Pd3 101.6(2) . . ?
P3 S5 Ag6 112.2(2) . . ?
P3 S6 Ag4 97.6(2) . . ?
P3 S6 Ag3 105.1(2) . . ?
Ag4 S6 Ag3 70.12(10) . . ?
P4 S7 Pd2 101.0(2) . . ?
P4 S7 Ag6 118.7(2) . . ?
Pd2 S7 Ag6 64.14(9) . . ?
P4 S8 Ag4 98.8(2) . . ?
P4 S8 Ag1 103.9(2) . 2_666 ?
Ag4 S8 Ag1 76.87(12) . 2_666 ?
P5 S9 Ag3 114.6(3) . . ?
P5 S10 Ag7 106.9(3) . . ?
P5 S10 Ag2 94.9(2) . . ?
Ag7 S10 Ag2 69.50(11) . . ?
P6 S11 Ag7 115.8(3) . . ?
P6 S12 Ag5 95.9(2) . . ?
P6 S12 Ag6 107.7(3) . 2_666 ?
Ag5 S12 Ag6 71.08(11) . 2_666 ?
Pd2 S13 Pd2 180.00(5) . 2_666 ?
Pd2 S13 Pd1 81.73(4) . . ?
Pd2 S13 Pd1 98.27(4) 2_666 . ?
Pd2 S13 Pd1 98.27(4) . 2_666 ?
Pd2 S13 Pd1 81.73(4) 2_666 2_666 ?
Pd1 S13 Pd1 180.00(3) . 2_666 ?
Pd2 S13 Pd3 98.93(4) . 2_666 ?
Pd2 S13 Pd3 81.07(4) 2_666 2_666 ?
Pd1 S13 Pd3 80.98(4) . 2_666 ?
Pd1 S13 Pd3 99.03(4) 2_666 2_666 ?
Pd2 S13 Pd3 81.07(4) . . ?
Pd2 S13 Pd3 98.93(4) 2_666 . ?
Pd1 S13 Pd3 99.03(4) . . ?
Pd1 S13 Pd3 80.97(4) 2_666 . ?
Pd3 S13 Pd3 180.00(5) 2_666 . ?
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
Ag1 S3 2.628(4) . ?
Ag1 S8 2.639(4) 2_666 ?
Ag1 S1 2.654(4) . ?
Ag1 Pd1 2.8737(15) . ?
Ag1 Pd3 2.8982(15) . ?
Ag1 Pd2 2.9010(16) 2_666 ?
Ag1 Ag5 3.2219(19) 2_666 ?
Ag1 Ag4 3.2629(17) 2_666 ?
Ag1 Ag2 3.2724(16) . ?
Ag2 S10 2.586(4) . ?
Ag2 S3 2.633(5) . ?
Ag2 Pd3 2.7739(15) . ?
Ag2 Pd2 2.8090(15) 2_666 ?
Ag2 Ag3 2.9153(18) . ?
Ag2 Ag7 2.9422(19) . ?
Ag2 Pd1 3.2194(17) 2_666 ?
Ag3 S9 2.467(5) . ?
Ag3 S6 2.580(5) . ?
Ag3 Pd3 2.8621(16) . ?
Ag3 Pd1 2.8928(16) 2_666 ?
Ag3 Ag4 2.9548(16) . ?
Ag4 S6 2.563(4) . ?
Ag4 S8 2.610(5) . ?
Ag4 Pd2 2.7983(15) . ?
Ag4 Pd1 2.8000(17) 2_666 ?
Ag4 Ag6 2.8894(18) . ?
Ag4 Pd3 3.2376(18) . ?
Ag5 S12 2.575(4) . ?
Ag5 S1 2.614(5) 2_666 ?
Ag5 Pd1 2.7823(15) 2_666 ?
Ag5 Pd3 2.8036(15) 2_666 ?
Ag5 Ag7 2.8947(18) . ?
Ag5 Ag6 3.0020(17) 2_666 ?
Ag5 Pd2 3.2264(18) 2_666 ?
Ag6 S5 2.498(4) . ?
Ag6 S12 2.590(5) 2_666 ?
Ag6 Pd2 2.8501(16) . ?
Ag6 Pd3 2.8879(18) . ?
Ag6 S7 2.927(4) . ?
Ag7 S11 2.462(5) . ?
Ag7 S10 2.576(5) . ?
Ag7 Pd1 2.8301(17) 2_666 ?
Ag7 Pd2 2.8805(16) 2_666 ?
Ag7 S2 2.969(4) 2_666 ?
C1 O1 1.31(3) . ?
C1 C2 1.519(10) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.509(10) . ?
C2 C4 1.515(10) . ?
C2 H2 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 O2 1.409(10) . ?
C5 C6 1.515(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C8 1.496(10) . ?
C6 C7 1.515(10) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 O3 1.412(10) . ?
C9 C10 1.515(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C12 1.515(10) . ?
C10 C11 1.518(10) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 O4 1.46(3) . ?
C13 C14 1.513(10) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.519(10) . ?
C14 C16 1.520(10) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 O5 1.30(3) . ?
C17 C18 1.530(10) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C20 1.519(10) . ?
C18 C19 1.525(10) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 O6 1.37(2) . ?
C21 C22 1.523(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C24 1.509(10) . ?
C22 C23 1.517(10) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O7 1.402(10) . ?
C25 C26 1.519(7) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.505(10) . ?
C26 C28 1.512(10) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 O8 1.424(10) . ?
C29 C30 1.530(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.519(10) . ?
C30 C32 1.523(10) . ?
C30 H30 0.9800 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O9 1.444(10) . ?
C33 C34 1.530(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.520(10) . ?
C34 C36 1.522(10) . ?
C34 H34 0.9800 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 O10 1.484(9) . ?
C37 C38 1.531(10) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C40 1.521(10) . ?
C38 C39 1.526(10) . ?
C38 H38 0.9800 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 O11 1.431(7) . ?
C41 C42 1.531(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.520(10) . ?
C42 C44 1.523(10) . ?
C42 H42 0.9800 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 O12 1.421(10) . ?
C45 C46 1.526(10) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 C47 1.521(10) . ?
C46 C48 1.522(10) . ?
C46 H46 0.9800 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
O1 P1 1.541(13) . ?
O2 P1 1.640(16) . ?
O3 P2 1.577(15) . ?
O4 P2 1.541(12) . ?
O5 P3 1.608(14) . ?
O6 P3 1.581(14) . ?
O7 P4 1.580(14) . ?
O8 P4 1.547(14) . ?
O9 P5 1.636(17) . ?
O10 P5 1.611(15) . ?
O11 P6 1.49(2) . ?
O12 P6 1.72(2) . ?
P1 S2 1.988(7) . ?
P1 S1 1.991(6) . ?
P2 S4 1.987(7) . ?
P2 S3 1.992(6) . ?
P3 S5 1.951(6) . ?
P3 S6 1.997(6) . ?
P4 S8 1.978(6) . ?
P4 S7 1.990(7) . ?
P5 S9 1.924(8) . ?
P5 S10 1.980(7) . ?
P6 S11 1.932(8) . ?
P6 S12 1.963(7) . ?
Pd1 S13 2.2632(10) . ?
Pd1 S2 2.363(4) . ?
Pd1 Pd3 2.9399(16) 2_666 ?
Pd1 Pd2 2.9545(14) . ?
Pd2 S13 2.2522(12) . ?
Pd2 S7 2.365(4) . ?
Pd2 Pd3 2.9356(14) . ?
Pd3 S13 2.2647(10) . ?
Pd3 S4 2.364(4) . ?
