#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:06:57 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224665 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/21/1552123.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_1552123
loop_
_publ_author_name
'Barik, Subrat Kumar'
'Chiu, Tzu-Hao'
'Liu, Yu-Chiao'
'Chiang, Ming-Hsi'
'Gam, Franck'
'Chantrenne, Isaac'
'Kahlal, Samia'
'Saillard, Jean-Yves'
'Liu, C. W.'
_publ_section_title
;
 Mono- and hexa-palladium doped silver nanoclusters stabilized by
 dithiolates.
;
_journal_issue                   31
_journal_name_full               Nanoscale
_journal_page_first              14581
_journal_page_last               14586
_journal_paper_doi               10.1039/c9nr05068j
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C72 H168 Ag14 O24 P12 Pd6 S25'
_chemical_formula_weight         4739.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-04-23 deposited with the CCDC.    2019-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                118.2870(10)
_cell_angle_beta                 92.2040(10)
_cell_angle_gamma                105.1650(10)
_cell_formula_units_Z            1
_cell_length_a                   14.5737(7)
_cell_length_b                   17.0670(8)
_cell_length_c                   17.2156(8)
_cell_measurement_reflns_used    9283
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.36
_cell_volume                     3572.3(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 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0167
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30013
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.475
_exptl_absorpt_coefficient_mu    3.156
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6627
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.203
_exptl_crystal_description       block
_exptl_crystal_F_000             2306
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.629
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         12533
_refine_ls_number_restraints     262
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0302
_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)+(0.0236P)²+18.4529P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0735
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10890
_reflns_number_total             12533
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nr05068j2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1552122--1552123.cif.'
_cod_database_code               1552123
_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   0.764
_shelx_estimated_absorpt_t_max   0.833
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 0.51053(3) 0.67337(3) 0.77682(3) 0.04087(11) Uani 1 1 d . . . . .
Ag2 Ag 0.36392(3) 0.64220(3) 0.63622(3) 0.03010(9) Uani 1 1 d . . . . .
Pd1 Pd 0.42961(3) 0.49630(2) 0.61481(2) 0.02578(9) Uani 1 1 d . . . . .
Ag3 Ag 0.27373(3) 0.42586(3) 0.46487(3) 0.02989(9) Uani 1 1 d . . . . .
Pd2 Pd 0.41723(3) 0.57819(2) 0.46678(2) 0.02476(8) Uani 1 1 d . . . . .
Ag4 Ag 0.34752(3) 0.42727(3) 0.29358(3) 0.03193(9) Uani 1 1 d . . . . .
Pd3 Pd 0.42245(3) 0.35146(2) 0.38502(3) 0.02637(9) Uani 1 1 d . . . . .
Ag5 Ag 0.48371(3) 0.59925(3) 0.32195(3) 0.04072(11) Uani 1 1 d . . . . .
Ag6 Ag 0.49145(4) 0.77428(3) 0.59765(3) 0.03727(12) Uani 0.95 1 d . . P A 1
Ag6B Ag 0.4558(8) 0.7797(8) 0.5900(8) 0.03727(12) Uani 0.05 1 d . . P A 2
Ag7 Ag 0.62827(3) 0.70101(3) 0.48868(3) 0.03200(9) Uani 1 1 d . . . . .
C1 C 0.1849(5) 0.6335(4) 0.8131(4) 0.0557(17) Uani 1 1 d . . . . .
H1A H 0.196538 0.652907 0.767509 0.067 Uiso 1 1 calc R U . . .
H1B H 0.241911 0.669961 0.862757 0.067 Uiso 1 1 calc R U . . .
C2 C 0.0973(5) 0.6526(5) 0.8477(5) 0.0644(19) Uani 1 1 d . . . . .
H2A H 0.040202 0.612205 0.798397 0.077 Uiso 1 1 calc R U . . .
H2B H 0.103184 0.718775 0.867497 0.077 Uiso 1 1 calc R U . . .
C3 C 0.0810(7) 0.6358(6) 0.9244(6) 0.093(3) Uani 1 1 d . . . . .
H3A H 0.074951 0.570450 0.905362 0.140 Uiso 1 1 calc R U . . .
H3B H 0.021346 0.648266 0.943500 0.140 Uiso 1 1 calc R U . . .
H3C H 0.135843 0.677734 0.974615 0.140 Uiso 1 1 calc R U . . .
C4 C 0.0690(5) 0.3319(5) 0.6181(5) 0.0610(17) Uani 1 1 d D . . . .
H4A H 0.062176 0.314134 0.553956 0.073 Uiso 1 1 calc R U . . .
H4B H 0.032796 0.376664 0.647328 0.073 Uiso 1 1 calc R U . . .
C5 C 0.0274(5) 0.2453(4) 0.6260(5) 0.0635(18) Uani 1 1 d D . . . .
H5A H 0.037639 0.263469 0.690237 0.076 Uiso 1 1 calc R U . . .
H5B H -0.043288 0.219803 0.602640 0.076 Uiso 1 1 calc R U . . .
C6 C 0.0718(6) 0.1706(5) 0.5760(6) 0.084(2) Uani 1 1 d D . . . .
H6A H 0.060319 0.150946 0.512061 0.126 Uiso 1 1 calc R U . . .
H6B H 0.042600 0.116647 0.583720 0.126 Uiso 1 1 calc R U . . .
H6C H 0.141657 0.194993 0.599522 0.126 Uiso 1 1 calc R U . . .
C7 C 0.1292(5) 0.6714(5) 0.5240(5) 0.0438(16) Uani 0.75 1 d D . P B 1
H7A H 0.110489 0.698812 0.488917 0.053 Uiso 0.75 1 calc R U P B 1
H7B H 0.192897 0.713854 0.563431 0.053 Uiso 0.75 1 calc R U P B 1
C8 C 0.055(3) 0.6654(11) 0.5814(16) 0.059(2) Uani 0.75 1 d D . P B 1
H8A H 0.066251 0.626996 0.607239 0.071 Uiso 0.75 1 calc R U P B 1
H8B H -0.010394 0.634027 0.543521 0.071 Uiso 0.75 1 calc R U P B 1
C9 C 0.0612(9) 0.7617(8) 0.6565(8) 0.076(3) Uani 0.75 1 d D . P B 1
H9A H 0.127541 0.794810 0.691071 0.113 Uiso 0.75 1 calc R U P B 1
H9B H 0.016815 0.755373 0.696028 0.113 Uiso 0.75 1 calc R U P B 1
H9C H 0.043001 0.797338 0.631011 0.113 Uiso 0.75 1 calc R U P B 1
C7B C 0.0579(12) 0.5943(17) 0.4951(14) 0.0438(16) Uani 0.25 1 d D . P B 2
H7B1 H 0.020971 0.531393 0.484435 0.053 Uiso 0.25 1 calc R U P B 2
H7B2 H 0.021148 0.606318 0.454607 0.053 Uiso 0.25 1 calc R U P B 2
C8B C 0.054(11) 0.664(3) 0.590(5) 0.059(2) Uani 0.25 1 d D . P B 2
H8B1 H 0.101355 0.661772 0.631007 0.071 Uiso 0.25 1 calc R U P B 2
H8B2 H -0.010966 0.641366 0.600999 0.071 Uiso 0.25 1 calc R U P B 2
C9B C 0.074(3) 0.765(3) 0.616(2) 0.076(3) Uani 0.25 1 d D . P B 2
H9B1 H 0.044327 0.768814 0.565835 0.113 Uiso 0.25 1 calc R U P B 2
H9B2 H 0.143642 0.796901 0.630139 0.113 Uiso 0.25 1 calc R U P B 2
H9B3 H 0.045410 0.796275 0.668658 0.113 Uiso 0.25 1 calc R U P B 2
C10 C 0.1549(4) 0.5631(4) 0.2390(4) 0.0436(13) Uani 1 1 d . . . . .
H10A H 0.136675 0.494490 0.197959 0.052 Uiso 1 1 calc R U . . .
H10B H 0.225254 0.591114 0.244673 0.052 Uiso 1 1 calc R U . . .
C11 C 0.0978(5) 0.6055(5) 0.2021(4) 0.0524(16) Uani 1 1 d . . . . .
H11A H 0.027783 0.578421 0.198463 0.063 Uiso 1 1 calc R U . . .
H11B H 0.116882 0.674099 0.243481 0.063 Uiso 1 1 calc R U . . .
C12 C 0.1162(7) 0.5863(7) 0.1099(5) 0.085(3) Uani 1 1 d . . . . .
H12A H 0.185584 0.612708 0.113294 0.128 Uiso 1 1 calc R U . . .
H12B H 0.079976 0.615369 0.088232 0.128 Uiso 1 1 calc R U . . .
H12C H 0.095009 0.518402 0.068252 0.128 Uiso 1 1 calc R U . . .
C13 C 0.3619(6) 1.0185(5) 0.8722(5) 0.071(2) Uani 1 1 d . . . . .
H13A H 0.347848 0.999903 0.808040 0.086 Uiso 1 1 calc R U . . .
H13B H 0.423448 1.071100 0.901147 0.086 Uiso 1 1 calc R U . . .
C14 C 0.2805(7) 1.0488(6) 0.9176(6) 0.092(3) Uani 1 1 d . . . . .
H14A H 0.295511 1.067047 0.981650 0.110 Uiso 1 1 calc R U . . .
H14B H 0.276580 1.104633 0.915200 0.110 Uiso 1 1 calc R U . . .
C15 C 0.1870(8) 0.9753(9) 0.8760(10) 0.159(6) Uani 1 1 d . . . . .
H15A H 0.168816 0.961193 0.814235 0.239 Uiso 1 1 calc R U . . .
H15B H 0.137937 0.996555 0.910423 0.239 Uiso 1 1 calc R U . . .
H15C H 0.191455 0.918593 0.875199 0.239 Uiso 1 1 calc R U . . .
C16 C 0.6003(4) 0.9938(4) 0.8960(4) 0.0562(17) Uani 1 1 d . . . . .
H16A H 0.627244 0.951777 0.907432 0.067 Uiso 1 1 calc R U . . .
H16B H 0.575266 1.031187 0.949529 0.067 Uiso 1 1 calc R U . . .
C17 C 0.6777(6) 1.0577(5) 0.8772(6) 0.087(3) Uani 1 1 d . . . . .
H17A H 0.695261 1.020068 0.818886 0.105 Uiso 1 1 calc R U . . .
H17B H 0.651761 1.103809 0.872514 0.105 Uiso 1 1 calc R U . . .
C18 C 0.7661(7) 1.1088(7) 0.9495(8) 0.132(5) Uani 1 1 d . . . . .
H18A H 0.794472 1.063427 0.951442 0.198 Uiso 1 1 calc R U . . .
H18B H 0.748473 1.144369 1.007603 0.198 Uiso 1 1 calc R U . . .
H18C H 0.813435 1.151939 0.937059 0.198 Uiso 1 1 calc R U . . .
C19 C 0.4076(5) 0.8741(5) 0.4270(5) 0.0616(18) Uani 1 1 d . . . . .
H19A H 0.440799 0.938085 0.438267 0.074 Uiso 1 1 calc R U . . .
H19B H 0.395217 0.878699 0.484928 0.074 Uiso 1 1 calc R U . . .
C20 C 0.3142(5) 0.8325(5) 0.3626(6) 0.071(2) Uani 1 1 d . . . . .
H20A H 0.279935 0.770078 0.354583 0.085 Uiso 1 1 calc R U . . .
H20B H 0.273003 0.872908 0.388074 0.085 Uiso 1 1 calc R U . . .
C21 C 0.3276(7) 0.8224(7) 0.2765(6) 0.094(3) Uani 1 1 d . . . . .
H21A H 0.372171 0.881065 0.284864 0.141 Uiso 1 1 calc R U . . .
H21B H 0.265038 0.807987 0.241084 0.141 Uiso 1 1 calc R U . . .
H21C H 0.354684 0.771305 0.244679 0.141 Uiso 1 1 calc R U . . .
C22 C 0.6355(6) 0.9376(6) 0.3487(7) 0.084(3) Uani 1 1 d D . . . .
H22A H 0.594955 0.972970 0.341625 0.101 Uiso 1 1 calc R U . . .
H22B H 0.608849 0.871657 0.299252 0.101 Uiso 1 1 calc R U . . .
C23 C 0.7366(7) 0.9782(16) 0.3418(12) 0.264(13) Uani 1 1 d D . . . .
H23A H 0.752231 0.925128 0.293026 0.317 Uiso 1 1 calc R U . . .
H23B H 0.732521 1.020416 0.318414 0.317 Uiso 1 1 calc R U . . .
C24 C 0.8218(10) 1.0288(13) 0.4110(10) 0.226(10) Uani 1 1 d D . . . .
H24A H 0.826138 0.994002 0.442007 0.339 Uiso 1 1 calc R U . . .
H24B H 0.818356 1.090829 0.454092 0.339 Uiso 1 1 calc R U . . .
H24C H 0.879223 1.036154 0.384030 0.339 Uiso 1 1 calc R U . . .
C25 C 0.2198(11) 0.3547(14) -0.0153(9) 0.110(5) Uani 0.6 1 d D . P C 1
H25A H 0.212720 0.413153 0.033671 0.133 Uiso 0.6 1 calc R U P C 1
H25B H 0.189532 0.304594 -0.001810 0.133 Uiso 0.6 1 calc R U P C 1
C26 C 0.1526(12) 0.332(2) -0.1018(11) 0.159(8) Uani 0.6 1 d D . P C 1
H26A H 0.101817 0.269566 -0.129027 0.190 Uiso 0.6 1 calc R U P C 1
H26B H 0.123087 0.380948 -0.091242 0.190 Uiso 0.6 1 calc R U P C 1
C27 C 0.2338(16) 0.332(2) -0.1559(12) 0.152(7) Uani 0.6 1 d D . P C 1
H27A H 0.288463 0.323383 -0.129235 0.229 Uiso 0.6 1 calc R U P C 1
H27B H 0.255142 0.391771 -0.154868 0.229 Uiso 0.6 1 calc R U P C 1
H27C H 0.209641 0.280421 -0.218161 0.229 Uiso 0.6 1 calc R U P C 1
C25B C 0.3045(18) 0.4030(18) -0.0595(15) 0.110(5) Uani 0.4 1 d D . P C 2
H25C H 0.353948 0.393516 -0.097927 0.133 Uiso 0.4 1 calc R U P C 2
H25D H 0.318094 0.471558 -0.021003 0.133 Uiso 0.4 1 calc R U P C 2
C26B C 0.202(2) 0.361(2) -0.122(2) 0.159(8) Uani 0.4 1 d D . P C 2
H26C H 0.148720 0.369928 -0.087959 0.190 Uiso 0.4 1 calc R U P C 2
H26D H 0.199637 0.384300 -0.164557 0.190 Uiso 0.4 1 calc R U P C 2
C27B C 0.202(3) 0.2590(18) -0.169(2) 0.152(7) Uani 0.4 1 d D . P C 2
H27D H 0.249808 0.252850 -0.131624 0.229 Uiso 0.4 1 calc R U P C 2
H27E H 0.219705 0.241730 -0.227583 0.229 Uiso 0.4 1 calc R U P C 2
H27F H 0.137824 0.217289 -0.175941 0.229 Uiso 0.4 1 calc R U P C 2
C28 C 0.5521(12) 0.4284(13) 0.0313(12) 0.111(4) Uani 0.6 1 d D . P D 1
H28A H 0.584217 0.493948 0.079931 0.133 Uiso 0.6 1 calc R U P D 1
H28B H 0.524415 0.431055 -0.020406 0.133 Uiso 0.6 1 calc R U P D 1
C29 C 0.6341(14) 0.3799(17) 0.0017(18) 0.143(6) Uani 0.6 1 d D . P D 1
H29A H 0.682943 0.410358 -0.022226 0.172 Uiso 0.6 1 calc R U P D 1
H29B H 0.666138 0.374302 0.049826 0.172 Uiso 0.6 1 calc R U P D 1
C30 C 0.5624(17) 0.2869(16) -0.0715(16) 0.146(7) Uani 0.6 1 d D . P D 1
H30A H 0.592256 0.237208 -0.089590 0.218 Uiso 0.6 1 calc R U P D 1
H30B H 0.544743 0.292789 -0.123601 0.218 Uiso 0.6 1 calc R U P D 1
H30C H 0.504094 0.271208 -0.048369 0.218 Uiso 0.6 1 calc R U P D 1
C28B C 0.4905(17) 0.3209(16) -0.0154(15) 0.111(4) Uani 0.4 1 d D . P D 2
H28C H 0.460211 0.313796 -0.071817 0.133 Uiso 0.4 1 calc R U P D 2
H28D H 0.471077 0.260629 -0.015701 0.133 Uiso 0.4 1 calc R U P D 2
C29B C 0.6077(18) 0.376(2) 0.015(3) 0.143(6) Uani 0.4 1 d D . P D 2
H29C H 0.627498 0.426648 -0.000669 0.172 Uiso 0.4 1 calc R U P D 2
H29D H 0.632501 0.401454 0.079038 0.172 Uiso 0.4 1 calc R U P D 2
C30B C 0.633(3) 0.293(2) -0.045(3) 0.146(7) Uani 0.4 1 d D . P D 2
H30D H 0.620845 0.249548 -0.021667 0.218 Uiso 0.4 1 calc R U P D 2
H30E H 0.702242 0.311634 -0.047609 0.218 Uiso 0.4 1 calc R U P D 2
H30F H 0.594357 0.262182 -0.105253 0.218 Uiso 0.4 1 calc R U P D 2
C31 C 0.0686(7) 0.0293(7) 0.2699(8) 0.063(2) Uani 0.66 1 d D . P E 1
H31A H 0.018794 0.026915 0.227366 0.076 Uiso 0.66 1 calc R U P E 1
H31B H 0.057028 0.064733 0.331612 0.076 Uiso 0.66 1 calc R U P E 1
C32 C 0.0637(14) -0.0725(11) 0.2467(15) 0.117(7) Uani 0.66 1 d D . P E 1
H32A H -0.002934 -0.104566 0.248169 0.140 Uiso 0.66 1 calc R U P E 1
H32B H 0.072773 -0.105791 0.183812 0.140 Uiso 0.66 1 calc R U P E 1
C33 C 0.1165(12) -0.0836(15) 0.2898(18) 0.163(8) Uani 0.66 1 d D . P E 1
H33A H 0.183426 -0.051467 0.290888 0.244 Uiso 0.66 1 calc R U P E 1
H33B H 0.106734 -0.150873 0.263655 0.244 Uiso 0.66 1 calc R U P E 1
H33C H 0.104116 -0.057896 0.351226 0.244 Uiso 0.66 1 calc R U P E 1
C31B C 0.1679(14) 0.0245(13) 0.3097(15) 0.063(2) Uani 0.34 1 d D . P E 2
H31C H 0.201895 0.070210 0.372471 0.076 Uiso 0.34 1 calc R U P E 2
H31D H 0.205776 -0.018613 0.280665 0.076 Uiso 0.34 1 calc R U P E 2
C32B C 0.065(2) -0.032(2) 0.308(3) 0.117(7) Uani 0.34 1 d D . P E 2
H32C H 0.076191 -0.080569 0.319176 0.140 Uiso 0.34 1 calc R U P E 2
H32D H 0.048855 0.012483 0.364538 0.140 Uiso 0.34 1 calc R U P E 2
C33B C -0.011(2) -0.071(3) 0.258(3) 0.163(8) Uani 0.34 1 d D . P E 2
H33D H -0.025920 -0.030231 0.238066 0.244 Uiso 0.34 1 calc R U P E 2
H33E H -0.061225 -0.087421 0.288822 0.244 Uiso 0.34 1 calc R U P E 2
H33F H -0.007562 -0.128561 0.206020 0.244 Uiso 0.34 1 calc R U P E 2
C34 C 0.1244(4) 0.1554(4) 0.1490(4) 0.0440(13) Uani 1 1 d . . . . .
H34A H 0.090209 0.087654 0.123624 0.053 Uiso 1 1 calc R U . . .
H34B H 0.187319 0.162559 0.129034 0.053 Uiso 1 1 calc R U . . .
C35 C 0.0652(5) 0.1971(5) 0.1168(4) 0.0518(16) Uani 1 1 d . . . . .
H35A H 0.099345 0.265127 0.143716 0.062 Uiso 1 1 calc R U . . .
H35B H 0.002542 0.189668 0.137224 0.062 Uiso 1 1 calc R U . . .
C36 C 0.0465(6) 0.1519(5) 0.0158(5) 0.069(2) Uani 1 1 d . . . . .
H36A H 0.108218 0.161253 -0.004504 0.104 Uiso 1 1 calc R U . . .
H36B H 0.006323 0.180432 -0.002506 0.104 Uiso 1 1 calc R U . . .
H36C H 0.012638 0.084499 -0.011114 0.104 Uiso 1 1 calc R U . . .
O1 O 0.1714(3) 0.5334(3) 0.7728(3) 0.0463(10) Uani 1 1 d . . . . .
O2 O 0.1681(3) 0.3751(3) 0.6598(3) 0.0497(10) Uani 1 1 d . . . . .
O3 O 0.1373(4) 0.5882(4) 0.4681(3) 0.0657(14) Uani 1 1 d D . . . .
O4 O 0.1323(3) 0.5828(3) 0.3250(3) 0.0412(9) Uani 1 1 d . . . . .
O5 O 0.3702(3) 0.9407(3) 0.8802(3) 0.0478(10) Uani 1 1 d . . . . .
O6 O 0.5242(3) 0.9398(2) 0.8180(3) 0.0417(9) Uani 1 1 d . . . . .
O7 O 0.4693(3) 0.8147(3) 0.3892(3) 0.0523(11) Uani 1 1 d . . . . .
O8 O 0.6305(3) 0.9404(3) 0.4333(4) 0.0586(12) Uani 1 1 d . . . . .
O9 O 0.3155(4) 0.3663(4) -0.0044(3) 0.0845(17) Uani 1 1 d D . . . .
O10 O 0.4821(4) 0.3926(5) 0.0584(5) 0.107(2) Uani 1 1 d D . . . .
O11 O 0.1589(3) 0.0712(3) 0.2632(3) 0.0513(11) Uani 1 1 d D . . . .
O12 O 0.1402(3) 0.2034(2) 0.2469(2) 0.0374(8) Uani 1 1 d . . . . .
P1 P 0.22264(10) 0.48378(10) 0.69323(10) 0.0336(3) Uani 1 1 d . . . . .
P2 P 0.19343(10) 0.56415(10) 0.38885(9) 0.0341(3) Uani 1 1 d . . . . .
P3 P 0.42531(10) 0.87333(9) 0.81670(9) 0.0330(3) Uani 1 1 d . . . . .
P4 P 0.57736(11) 0.84930(10) 0.43778(12) 0.0452(4) Uani 1 1 d . . . . .
P5 P 0.38466(12) 0.40475(13) 0.08676(10) 0.0474(4) Uani 1 1 d . . . . .
P6 P 0.20757(9) 0.18034(9) 0.30188(10) 0.0335(3) Uani 1 1 d . . . . .
S1 S 0.500000 0.500000 0.500000 0.0283(4) Uani 1 2 d S . P A .
S2 S 0.35984(9) 0.50520(9) 0.74042(9) 0.0344(3) Uani 1 1 d . . . . .
S3 S 0.19574(10) 0.51678(9) 0.59970(9) 0.0351(3) Uani 1 1 d . . . . .
S4 S 0.17622(10) 0.42769(10) 0.33242(10) 0.0390(3) Uani 1 1 d . . . . .
S5 S 0.32851(10) 0.65481(9) 0.42623(9) 0.0357(3) Uani 1 1 d . . . . .
S6 S 0.43966(11) 0.79869(10) 0.87258(10) 0.0434(3) Uani 1 1 d . . . . .
S7 S 0.35439(11) 0.80739(10) 0.68943(10) 0.0458(4) Uani 1 1 d . . . . .
S8 S 0.59231(13) 0.89587(10) 0.56859(12) 0.0548(4) Uani 1 1 d . . . . .
S9 S 0.63027(11) 0.74580(11) 0.36378(12) 0.0458(4) Uani 1 1 d . . . . .
S10 S 0.39690(16) 0.53655(14) 0.16746(12) 0.0663(5) Uani 1 1 d . . . . .
S11 S 0.33599(11) 0.31203(11) 0.12722(10) 0.0482(4) Uani 1 1 d . . . . .
S12 S 0.19522(10) 0.25308(9) 0.42960(9) 0.0356(3) Uani 1 1 d . . . . .
S13 S 0.33928(9) 0.19468(9) 0.27069(10) 0.0374(3) Uani 1 1 d . . . . .
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'
Ag Ag -0.8971 1.1015 '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'
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
S6 Ag1 S11 109.44(5) . 2_666
S6 Ag1 Pd1 132.42(4) . .
S11 Ag1 Pd1 114.84(4) 2_666 .
S6 Ag1 Pd3 125.61(4) . 2_666
S11 Ag1 Pd3 101.57(4) 2_666 2_666
Pd1 Ag1 Pd3 61.048(13) . 2_666
S6 Ag1 S2 101.60(5) . .
S11 Ag1 S2 107.94(5) 2_666 .
Pd1 Ag1 S2 48.92(3) . .
Pd3 Ag1 S2 109.93(3) 2_666 .
S6 Ag1 Ag2 81.84(4) . .
S11 Ag1 Ag2 166.77(4) 2_666 .
Pd1 Ag1 Ag2 57.226(13) . .
Pd3 Ag1 Ag2 65.551(14) 2_666 .
S2 Ag1 Ag2 75.41(3) . .
S6 Ag1 Ag4 161.13(4) . 2_666
S11 Ag1 Ag4 54.21(4) 2_666 2_666
Pd1 Ag1 Ag4 66.383(13) . 2_666
Pd3 Ag1 Ag4 57.580(13) 2_666 2_666
S2 Ag1 Ag4 93.34(3) . 2_666
Ag2 Ag1 Ag4 113.389(17) . 2_666
S7 Ag2 S3 113.63(5) . .
S7 Ag2 Pd1 162.05(4) . .
S3 Ag2 Pd1 81.84(3) . .
S7 Ag2 Pd2 107.30(4) . .
S3 Ag2 Pd2 102.07(3) . .
Pd1 Ag2 Pd2 76.589(14) . .
S7 Ag2 Ag6B 49.1(2) . .
S3 Ag2 Ag6B 139.8(2) . .
Pd1 Ag2 Ag6B 124.4(2) . .
Pd2 Ag2 Ag6B 62.5(2) . .
S7 Ag2 Ag6 56.84(4) . .
S3 Ag2 Ag6 149.54(4) . .
Pd1 Ag2 Ag6 114.311(18) . .
Pd2 Ag2 Ag6 60.466(14) . .
S7 Ag2 Ag1 102.86(3) . .
S3 Ag2 Ag1 117.04(3) . .
Pd1 Ag2 Ag1 60.451(13) . .
Pd2 Ag2 Ag1 113.928(17) . .
Ag6B Ag2 Ag1 103.0(2) . .
Ag6 Ag2 Ag1 93.360(18) . .
S7 Ag2 Pd3 107.59(4) . 2_666
S3 Ag2 Pd3 138.37(3) . 2_666
Pd1 Ag2 Pd3 58.744(12) . 2_666
Pd2 Ag2 Pd3 58.806(12) . 2_666
Ag6 Ag2 Pd3 56.949(14) . 2_666
Ag1 Ag2 Pd3 56.448(13) . 2_666
S7 Ag2 Ag3 140.36(4) . .
S3 Ag2 Ag3 50.68(3) . .
Pd1 Ag2 Ag3 56.405(12) . .
Pd2 Ag2 Ag3 55.172(12) . .
Ag6B Ag2 Ag3 115.0(2) . .
Ag6 Ag2 Ag3 115.335(17) . .
Ag1 Ag2 Ag3 116.693(15) . .
Pd3 Ag2 Ag3 92.900(13) 2_666 .
S1 Pd1 S2 175.62(4) . .
S1 Pd1 Ag2 89.746(14) . .
S2 Pd1 Ag2 86.82(3) . .
S1 Pd1 Ag7 87.627(14) . 2_666
S2 Pd1 Ag7 96.75(4) . 2_666
Ag2 Pd1 Ag7 139.083(18) . 2_666
S1 Pd1 Ag5 108.408(16) . 2_666
S2 Pd1 Ag5 73.99(3) . 2_666
Ag2 Pd1 Ag5 154.018(19) . 2_666
Ag7 Pd1 Ag5 62.338(14) 2_666 2_666
S1 Pd1 Ag1 109.834(17) . .
S2 Pd1 Ag1 66.11(3) . .
Ag2 Pd1 Ag1 62.323(14) . .
Ag7 Pd1 Ag1 154.187(19) 2_666 .
Ag5 Pd1 Ag1 93.419(17) 2_666 .
S1 Pd1 Ag3 73.021(13) . .
S2 Pd1 Ag3 108.34(3) . .
Ag2 Pd1 Ag3 71.125(14) . .
Ag7 Pd1 Ag3 69.086(13) 2_666 .
Ag5 Pd1 Ag3 131.188(17) 2_666 .
Ag1 Pd1 Ag3 133.218(17) . .
S1 Pd1 Pd3 50.344(10) . 2_666
S2 Pd1 Pd3 125.55(4) . 2_666
Ag2 Pd1 Pd3 66.843(14) . 2_666
Ag7 Pd1 Pd3 134.609(17) 2_666 2_666
Ag5 Pd1 Pd3 110.349(16) 2_666 2_666
Ag1 Pd1 Pd3 59.495(14) . 2_666
Ag3 Pd1 Pd3 106.582(16) . 2_666
S1 Pd1 Pd2 49.270(10) . 2_666
S2 Pd1 Pd2 132.99(4) . 2_666
Ag2 Pd1 Pd2 135.575(17) . 2_666
Ag7 Pd1 Pd2 65.867(13) 2_666 2_666
Ag5 Pd1 Pd2 59.138(14) 2_666 2_666
Ag1 Pd1 Pd2 110.810(16) . 2_666
Ag3 Pd1 Pd2 105.142(16) . 2_666
Pd3 Pd1 Pd2 72.598(13) 2_666 2_666
S1 Pd1 Ag4 80.089(13) . 2_666
S2 Pd1 Ag4 98.59(3) . 2_666
Ag2 Pd1 Ag4 110.878(15) . 2_666
Ag7 Pd1 Ag4 108.833(15) 2_666 2_666
Ag5 Pd1 Ag4 56.721(13) 2_666 2_666
Ag1 Pd1 Ag4 58.307(13) . 2_666
Ag3 Pd1 Ag4 153.066(17) . 2_666
Pd3 Pd1 Ag4 54.579(12) 2_666 2_666
Pd2 Pd1 Ag4 53.601(12) 2_666 2_666
S3 Ag3 S12 101.24(5) . .
S3 Ag3 S4 101.43(5) . .
S12 Ag3 S4 102.27(4) . .
S3 Ag3 Pd2 100.90(3) . .
S12 Ag3 Pd2 155.85(3) . .
S4 Ag3 Pd2 82.62(3) . .
S3 Ag3 Pd3 154.19(3) . .
S12 Ag3 Pd3 81.61(3) . .
S4 Ag3 Pd3 102.99(4) . .
Pd2 Ag3 Pd3 74.251(14) . .
S3 Ag3 Pd1 79.36(3) . .
S12 Ag3 Pd1 101.21(3) . .
S4 Ag3 Pd1 155.85(3) . .
Pd2 Ag3 Pd1 73.611(14) . .
Pd3 Ag3 Pd1 74.949(14) . .
S3 Ag3 Ag4 141.95(3) . .
S12 Ag3 Ag4 110.28(3) . .
S4 Ag3 Ag4 52.11(3) . .
Pd2 Ag3 Ag4 54.193(12) . .
Pd3 Ag3 Ag4 54.970(12) . .
Pd1 Ag3 Ag4 113.491(16) . .
S3 Ag3 Ag7 108.24(3) . 2_666
S12 Ag3 Ag7 51.59(3) . 2_666
S4 Ag3 Ag7 143.34(3) . 2_666
Pd2 Ag3 Ag7 111.588(15) . 2_666
Pd3 Ag3 Ag7 53.556(12) . 2_666
Pd1 Ag3 Ag7 54.161(12) . 2_666
Ag4 Ag3 Ag7 107.908(14) . 2_666
S3 Ag3 Ag2 50.92(3) . .
S12 Ag3 Ag2 140.99(3) . .
S4 Ag3 Ag2 109.26(3) . .
Pd2 Ag3 Ag2 53.689(12) . .
Pd3 Ag3 Ag2 112.020(15) . .
Pd1 Ag3 Ag2 52.470(11) . .
Ag4 Ag3 Ag2 107.088(14) . .
Ag7 Ag3 Ag2 106.077(15) 2_666 .
S1 Pd2 S5 177.73(4) . .
S1 Pd2 Ag4 90.571(14) . .
S5 Pd2 Ag4 87.16(3) . .
S1 Pd2 Ag2 89.204(14) . .
S5 Pd2 Ag2 92.51(4) . .
Ag4 Pd2 Ag2 138.412(18) . .
S1 Pd2 Ag5 108.997(16) . .
S5 Pd2 Ag5 69.86(4) . .
Ag4 Pd2 Ag5 61.670(15) . .
Ag2 Pd2 Ag5 154.297(18) . .
S1 Pd2 Ag3 74.265(13) . .
S5 Pd2 Ag3 104.89(4) . .
Ag4 Pd2 Ag3 68.839(14) . .
Ag2 Pd2 Ag3 71.139(14) . .
Ag5 Pd2 Ag3 130.340(17) . .
S1 Pd2 Ag6 109.555(17) . .
S5 Pd2 Ag6 72.60(3) . .
Ag4 Pd2 Ag6 153.82(2) . .
Ag2 Pd2 Ag6 60.963(15) . .
Ag5 Pd2 Ag6 95.098(17) . .
Ag3 Pd2 Ag6 131.677(18) . .
S1 Pd2 Pd3 50.131(10) . 2_666
S5 Pd2 Pd3 132.02(4) . 2_666
Ag4 Pd2 Pd3 137.693(16) . 2_666
Ag2 Pd2 Pd3 66.007(14) . 2_666
Ag5 Pd2 Pd3 111.609(17) . 2_666
Ag3 Pd2 Pd3 107.160(16) . 2_666
Ag6 Pd2 Pd3 59.424(14) . 2_666
S1 Pd2 Pd1 50.106(10) . 2_666
S5 Pd2 Pd1 128.71(4) . 2_666
Ag4 Pd2 Pd1 67.949(13) . 2_666
Ag2 Pd2 Pd1 135.917(17) . 2_666
Ag5 Pd2 Pd1 58.891(14) . 2_666
Ag3 Pd2 Pd1 106.274(15) . 2_666
Ag6 Pd2 Pd1 111.996(17) . 2_666
Pd3 Pd2 Pd1 73.610(14) 2_666 2_666
S1 Pd2 Ag6B 119.8(2) . .
S5 Pd2 Ag6B 62.4(2) . .
Ag4 Pd2 Ag6B 147.5(2) . .
Ag2 Pd2 Ag6B 59.5(2) . .
Ag5 Pd2 Ag6B 95.2(2) . .
Ag3 Pd2 Ag6B 127.2(2) . .
Pd3 Pd2 Ag6B 69.9(2) 2_666 .
Pd1 Pd2 Ag6B 121.5(2) 2_666 .
S1 Pd2 Ag7 80.809(13) . .
S5 Pd2 Ag7 100.01(4) . .
Ag4 Pd2 Ag7 111.880(16) . .
Ag2 Pd2 Ag7 109.112(16) . .
Ag5 Pd2 Ag7 58.472(14) . .
Ag3 Pd2 Ag7 155.074(16) . .
Ag6 Pd2 Ag7 57.732(14) . .
Pd3 Pd2 Ag7 54.406(12) 2_666 .
Pd1 Pd2 Ag7 55.286(12) 2_666 .
Ag6B Pd2 Ag7 66.4(2) . .
S11 Ag4 S4 111.35(5) . .
S11 Ag4 Pd2 161.75(4) . .
S4 Ag4 Pd2 85.32(3) . .
S11 Ag4 Pd3 104.51(4) . .
S4 Ag4 Pd3 105.85(3) . .
Pd2 Ag4 Pd3 76.632(15) . .
S11 Ag4 Ag5 103.27(4) . .
S4 Ag4 Ag5 118.84(3) . .
Pd2 Ag4 Ag5 60.564(14) . .
Pd3 Ag4 Ag5 112.204(17) . .
S11 Ag4 Ag1 55.91(4) . 2_666
S4 Ag4 Ag1 150.55(4) . 2_666
Pd2 Ag4 Ag1 112.619(17) . 2_666
Pd3 Ag4 Ag1 59.446(14) . 2_666
Ag5 Ag4 Ag1 90.582(17) . 2_666
S11 Ag4 Ag3 139.02(4) . .
S4 Ag4 Ag3 53.46(3) . .
Pd2 Ag4 Ag3 56.968(13) . .
Pd3 Ag4 Ag3 56.714(13) . .
Ag5 Ag4 Ag3 117.403(16) . .
Ag1 Ag4 Ag3 115.919(16) 2_666 .
S11 Ag4 Pd1 106.30(4) . 2_666
S4 Ag4 Pd1 141.86(4) . 2_666
Pd2 Ag4 Pd1 58.450(12) . 2_666
Pd3 Ag4 Pd1 57.598(12) . 2_666
Ag5 Ag4 Pd1 55.592(13) . 2_666
Ag1 Ag4 Pd1 55.308(12) 2_666 2_666
Ag3 Ag4 Pd1 93.350(14) . 2_666
S1 Pd3 S13 177.15(4) . .
S1 Pd3 Ag7 88.705(15) . 2_666
S13 Pd3 Ag7 88.45(4) . 2_666
S1 Pd3 Ag4 89.100(14) . .
S13 Pd3 Ag4 92.92(4) . .
Ag7 Pd3 Ag4 137.405(18) 2_666 .
S1 Pd3 Ag1 109.847(16) . 2_666
S13 Pd3 Ag1 72.89(4) . 2_666
Ag7 Pd3 Ag1 154.291(18) 2_666 2_666
Ag4 Pd3 Ag1 62.975(14) . 2_666
S1 Pd3 Ag3 73.866(13) . .
S13 Pd3 Ag3 105.03(3) . .
Ag7 Pd3 Ag3 70.252(14) 2_666 .
Ag4 Pd3 Ag3 68.316(14) . .
Ag1 Pd3 Ag3 130.961(17) 2_666 .
S1 Pd3 Ag6 108.546(17) . 2_666
S13 Pd3 Ag6 70.13(4) . 2_666
Ag7 Pd3 Ag6 61.833(15) 2_666 2_666
Ag4 Pd3 Ag6 155.66(2) . 2_666
Ag1 Pd3 Ag6 94.593(17) 2_666 2_666
Ag3 Pd3 Ag6 131.822(19) . 2_666
S1 Pd3 Pd1 50.395(10) . 2_666
S13 Pd3 Pd1 132.33(4) . 2_666
Ag7 Pd3 Pd1 135.562(17) 2_666 2_666
Ag4 Pd3 Pd1 67.825(14) . 2_666
Ag1 Pd3 Pd1 59.456(14) 2_666 2_666
Ag3 Pd3 Pd1 106.879(15) . 2_666
Ag6 Pd3 Pd1 110.311(17) 2_666 2_666
S1 Pd3 Pd2 49.342(10) . 2_666
S13 Pd3 Pd2 129.27(4) . 2_666
Ag7 Pd3 Pd2 66.447(14) 2_666 2_666
Ag4 Pd3 Pd2 135.666(17) . 2_666
Ag1 Pd3 Pd2 111.913(17) 2_666 2_666
Ag3 Pd3 Pd2 106.294(16) . 2_666
Ag6 Pd3 Pd2 59.204(14) 2_666 2_666
Pd1 Pd3 Pd2 72.627(13) 2_666 2_666
S1 Pd3 Ag2 81.212(13) . 2_666
S13 Pd3 Ag2 99.88(3) . 2_666
Ag7 Pd3 Ag2 110.080(16) 2_666 2_666
Ag4 Pd3 Ag2 111.571(16) . 2_666
Ag1 Pd3 Ag2 58.001(13) 2_666 2_666
Ag3 Pd3 Ag2 155.075(17) . 2_666
Ag6 Pd3 Ag2 57.176(14) 2_666 2_666
Pd1 Pd3 Ag2 54.414(12) 2_666 2_666
Pd2 Pd3 Ag2 55.187(12) 2_666 2_666
S10 Ag5 S9 109.04(7) . .
S10 Ag5 Pd1 127.08(5) . 2_666
S9 Ag5 Pd1 100.71(4) . 2_666
S10 Ag5 Pd2 130.30(6) . .
S9 Ag5 Pd2 116.93(4) . .
Pd1 Ag5 Pd2 61.971(14) 2_666 .
S10 Ag5 Ag4 79.94(5) . .
S9 Ag5 Ag4 168.37(4) . .
Pd1 Ag5 Ag4 67.686(14) 2_666 .
Pd2 Ag5 Ag4 57.766(13) . .
S10 Ag5 Ag7 164.13(6) . .
S9 Ag5 Ag7 55.76(4) . .
Pd1 Ag5 Ag7 58.368(13) 2_666 .
Pd2 Ag5 Ag7 65.467(14) . .
Ag4 Ag5 Ag7 114.535(17) . .
S8 Ag6 S7 120.00(6) . .
S8 Ag6 Pd2 124.25(5) . .
S7 Ag6 Pd2 104.55(4) . .
S8 Ag6 Pd3 118.55(5) . 2_666
S7 Ag6 Pd3 114.29(4) . 2_666
Pd2 Ag6 Pd3 61.371(14) . 2_666
S8 Ag6 Ag2 175.33(5) . .
S7 Ag6 Ag2 55.44(4) . .
Pd2 Ag6 Ag2 58.572(14) . .
Pd3 Ag6 Ag2 65.873(15) 2_666 .
S8 Ag6 Ag7 70.83(4) . .
S7 Ag6 Ag7 169.05(4) . .
Pd2 Ag6 Ag7 65.653(14) . .
Pd3 Ag6 Ag7 57.414(14) 2_666 .
Ag2 Ag6 Ag7 113.693(18) . .
S7 Ag6B S8 130.3(5) . .
S7 Ag6B S5 102.5(4) . .
S8 Ag6B S5 108.9(4) . .
S7 Ag6B Ag2 58.8(3) . .
S8 Ag6B Ag2 159.7(5) . .
S5 Ag6B Ag2 83.2(3) . .
S7 Ag6B Pd2 112.1(4) . .
S8 Ag6B Pd2 117.6(4) . .
S5 Ag6B Pd2 48.52(19) . .
Ag2 Ag6B Pd2 58.1(2) . .
S7 Ag6B Ag7 157.3(5) . .
S8 Ag6B Ag7 62.7(2) . .
S5 Ag6B Ag7 87.2(3) . .
Ag2 Ag6B Ag7 103.0(3) . .
Pd2 Ag6B Ag7 59.6(2) . .
S9 Ag7 S12 110.43(5) . 2_666
S9 Ag7 Pd3 165.70(4) . 2_666
S12 Ag7 Pd3 83.47(3) 2_666 2_666
S9 Ag7 Pd1 101.24(4) . 2_666
S12 Ag7 Pd1 103.72(3) 2_666 2_666
Pd3 Ag7 Pd1 77.813(15) 2_666 2_666
S9 Ag7 Ag6 107.89(4) . .
S12 Ag7 Ag6 117.90(4) 2_666 .
Pd3 Ag7 Ag6 60.754(15) 2_666 .
Pd1 Ag7 Ag6 114.394(18) 2_666 .
S9 Ag7 Ag5 55.50(4) . .
S12 Ag7 Ag5 149.43(4) 2_666 .
Pd3 Ag7 Ag5 113.880(17) 2_666 .
Pd1 Ag7 Ag5 59.296(13) 2_666 .
Ag6 Ag7 Ag5 92.666(18) . .
S9 Ag7 Pd2 107.93(4) . .
S12 Ag7 Pd2 140.42(3) 2_666 .
Pd3 Ag7 Pd2 59.147(13) 2_666 .
Pd1 Ag7 Pd2 58.849(12) 2_666 .
Ag6 Ag7 Pd2 56.615(14) . .
Ag5 Ag7 Pd2 56.061(13) . .
S9 Ag7 Ag3 135.12(4) . 2_666
S12 Ag7 Ag3 51.72(3) 2_666 2_666
Pd3 Ag7 Ag3 56.192(12) 2_666 2_666
Pd1 Ag7 Ag3 56.752(12) 2_666 2_666
Ag6 Ag7 Ag3 116.754(18) . 2_666
Ag5 Ag7 Ag3 115.876(16) . 2_666
Pd2 Ag7 Ag3 93.338(14) . 2_666
S9 Ag7 Ag6B 101.9(2) . .
S12 Ag7 Ag6B 124.6(2) 2_666 .
Pd3 Ag7 Ag6B 66.1(2) 2_666 .
Pd1 Ag7 Ag6B 112.79(19) 2_666 .
Ag5 Ag7 Ag6B 86.0(2) . .
Pd2 Ag7 Ag6B 54.07(19) . .
Ag3 Ag7 Ag6B 122.3(2) 2_666 .
O1 C1 C2 109.3(5) . .
C1 C2 C3 113.2(7) . .
O2 C4 C5 109.8(6) . .
C6 C5 C4 113.0(6) . .
O3 C7 C8 112.2(8) . .
C7 C8 C9 111.3(16) . .
O3 C7B C8B 123(6) . .
C7B C8B C9B 119(3) . .
O4 C10 C11 107.5(5) . .
C12 C11 C10 111.0(6) . .
O5 C13 C14 108.6(7) . .
C15 C14 C13 112.7(8) . .
O6 C16 C17 107.0(6) . .
C18 C17 C16 111.4(9) . .
O7 C19 C20 109.3(6) . .
C21 C20 C19 112.5(7) . .
O8 C22 C23 112.2(8) . .
C24 C23 C22 128.3(12) . .
O9 C25 C26 126.8(11) . .
C27 C26 C25 95.0(7) . .
O9 C25B C26B 116(2) . .
C27B C26B C25B 95.2(13) . .
O10 C28 C29 119.3(14) . .
C30 C29 C28 93.2(15) . .
O10 C28B C29B 86.3(14) . .
C30B C29B C28B 94(2) . .
O11 C31 C32 106.8(10) . .
C33 C32 C31 120(2) . .
O11 C31B C32B 107.9(19) . .
C33B C32B C31B 137(3) . .
O12 C34 C35 108.8(5) . .
C34 C35 C36 112.2(5) . .
C1 O1 P1 120.5(4) . .
C4 O2 P1 121.5(4) . .
C7B O3 P2 148.1(11) . .
C7 O3 P2 126.8(5) . .
C10 O4 P2 120.1(3) . .
C13 O5 P3 121.2(4) . .
C16 O6 P3 121.8(4) . .
C19 O7 P4 119.8(4) . .
C22 O8 P4 121.4(5) . .
C25 O9 P5 125.9(7) . .
C25B O9 P5 133.6(10) . .
C28 O10 P5 140.5(10) . .
C28B O10 P5 124.9(11) . .
C31 O11 P6 125.7(5) . .
C31B O11 P6 124.6(9) . .
C34 O12 P6 121.0(3) . .
O1 P1 O2 101.2(2) . .
O1 P1 S3 108.30(17) . .
O2 P1 S3 111.93(18) . .
O1 P1 S2 110.28(18) . .
O2 P1 S2 104.53(17) . .
S3 P1 S2 119.12(9) . .
O3 P2 O4 100.7(2) . .
O3 P2 S4 106.3(2) . .
O4 P2 S4 110.11(17) . .
O3 P2 S5 112.2(2) . .
O4 P2 S5 107.48(17) . .
S4 P2 S5 118.63(8) . .
O6 P3 O5 105.9(2) . .
O6 P3 S6 113.97(17) . .
O5 P3 S6 103.99(18) . .
O6 P3 S7 104.17(17) . .
O5 P3 S7 108.90(18) . .
S6 P3 S7 119.23(9) . .
O7 P4 O8 106.3(2) . .
O7 P4 S8 113.5(2) . .
O8 P4 S8 103.2(2) . .
O7 P4 S9 105.20(19) . .
O8 P4 S9 110.2(2) . .
S8 P4 S9 117.94(10) . .
O10 P5 O9 103.7(4) . .
O10 P5 S10 111.9(3) . .
O9 P5 S10 109.9(3) . .
O10 P5 S11 105.3(3) . .
O9 P5 S11 105.8(3) . .
S10 P5 S11 119.00(11) . .
O12 P6 O11 103.2(2) . .
O12 P6 S12 105.77(15) . .
O11 P6 S12 110.74(19) . .
O12 P6 S13 111.46(16) . .
O11 P6 S13 105.40(18) . .
S12 P6 S13 119.17(8) . .
Pd2 S1 Pd2 179.999(11) 2_666 .
Pd2 S1 Pd3 80.528(13) 2_666 .
Pd2 S1 Pd3 99.472(13) . .
Pd2 S1 Pd3 99.473(13) 2_666 2_666
Pd2 S1 Pd3 80.527(13) . 2_666
Pd3 S1 Pd3 179.999(18) . 2_666
Pd2 S1 Pd1 80.623(13) 2_666 .
Pd2 S1 Pd1 99.376(13) . .
Pd3 S1 Pd1 100.738(14) . .
Pd3 S1 Pd1 79.262(13) 2_666 .
Pd2 S1 Pd1 99.376(13) 2_666 2_666
Pd2 S1 Pd1 80.625(13) . 2_666
Pd3 S1 Pd1 79.261(13) . 2_666
Pd3 S1 Pd1 100.739(13) 2_666 2_666
Pd1 S1 Pd1 180.0 . 2_666
P1 S2 Pd1 99.31(7) . .
P1 S2 Ag1 120.21(7) . .
Pd1 S2 Ag1 64.98(3) . .
P1 S3 Ag3 107.46(6) . .
P1 S3 Ag2 97.89(6) . .
Ag3 S3 Ag2 78.40(4) . .
P2 S4 Ag4 100.04(7) . .
P2 S4 Ag3 100.26(7) . .
Ag4 S4 Ag3 74.43(4) . .
P2 S5 Pd2 101.23(7) . .
P2 S5 Ag6B 134.6(3) . .
Pd2 S5 Ag6B 69.1(2) . .
P3 S6 Ag1 110.99(7) . .
P3 S7 Ag6B 112.2(3) . .
P3 S7 Ag2 99.80(7) . .
Ag6B S7 Ag2 72.2(3) . .
P3 S7 Ag6 102.66(7) . .
Ag2 S7 Ag6 67.72(3) . .
P4 S8 Ag6 110.60(8) . .
P4 S8 Ag6B 106.9(3) . .
P4 S9 Ag5 101.25(7) . .
P4 S9 Ag7 90.03(8) . .
Ag5 S9 Ag7 68.74(4) . .
P5 S10 Ag5 113.13(9) . .
P5 S11 Ag4 98.66(8) . .
P5 S11 Ag1 104.24(8) . 2_666
Ag4 S11 Ag1 69.88(4) . 2_666
P6 S12 Ag7 100.54(7) . 2_666
P6 S12 Ag3 101.44(7) . .
Ag7 S12 Ag3 76.69(4) 2_666 .
P6 S13 Pd3 100.15(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S6 2.5107(14) .
Ag1 S11 2.6132(16) 2_666
Ag1 Pd1 2.8630(5) .
Ag1 Pd3 2.8641(6) 2_666
Ag1 S2 2.8888(14) .
Ag1 Ag2 2.9145(6) .
Ag1 Ag4 2.9627(6) 2_666
Ag2 S7 2.5640(14) .
Ag2 S3 2.6163(14) .
Ag2 Pd1 2.7672(5) .
Ag2 Pd2 2.8115(5) .
Ag2 Ag6B 2.854(12) .
Ag2 Ag6 2.8808(6) .
Ag2 Pd3 3.1285(5) 2_666
Ag2 Ag3 3.3017(5) .
Pd1 S1 2.2810(4) .
Pd1 S2 2.3817(14) .
Pd1 Ag7 2.8174(5) 2_666
Pd1 Ag5 2.8452(6) 2_666
Pd1 Ag3 2.9065(5) .
Pd1 Pd3 2.9088(5) 2_666
Pd1 Pd2 2.9333(5) 2_666
Pd1 Ag4 3.1903(5) 2_666
Ag3 S3 2.6076(13) .
Ag3 S12 2.6187(13) .
Ag3 S4 2.6572(14) .
Ag3 Pd2 2.8641(5) .
Ag3 Pd3 2.8660(5) .
Ag3 Ag4 3.1859(6) .
Ag3 Ag7 3.2464(5) 2_666
Pd2 S1 2.2529(4) .
Pd2 S5 2.3558(13) .
Pd2 Ag4 2.7706(5) .
Pd2 Ag5 2.8526(6) .
Pd2 Ag6 2.8668(6) .
Pd2 Pd3 2.9293(5) 2_666
Pd2 Ag6B 2.937(11) .
Pd2 Ag7 3.1279(5) .
Ag4 S11 2.5594(15) .
Ag4 S4 2.6101(15) .
Ag4 Pd3 2.8075(5) .
Ag4 Ag5 2.8831(6) .
Pd3 S1 2.2793(4) .
Pd3 S13 2.3730(13) .
Pd3 Ag7 2.7747(6) 2_666
Pd3 Ag6 2.8733(6) 2_666
Ag5 S10 2.4809(17) .
Ag5 S9 2.5916(15) .
Ag5 Ag7 2.9308(6) .
Ag6 S8 2.4822(17) .
Ag6 S7 2.6063(16) .
Ag6 Ag7 2.9030(6) .
Ag6B S7 2.265(12) .
Ag6B S8 2.590(12) .
Ag6B S5 2.787(12) .
Ag6B Ag7 3.324(11) .
Ag7 S9 2.5999(16) .
Ag7 S12 2.6140(14) 2_666
C1 O1 1.460(7) .
C1 C2 1.478(9) .
C2 C3 1.493(11) .
C4 O2 1.417(8) .
C4 C5 1.516(7) .
C5 C6 1.490(7) .
C7 O3 1.326(8) .
C7 C8 1.51(2) .
C8 C9 1.511(12) .
C7B O3 1.274(16) .
C7B C8B 1.51(3) .
C8B C9B 1.51(2) .
C10 O4 1.429(7) .
C10 C11 1.526(8) .
C11 C12 1.512(9) .
C13 O5 1.432(8) .
C13 C14 1.514(11) .
C14 C15 1.457(14) .
C16 O6 1.436(7) .
C16 C17 1.513(10) .
C17 C18 1.495(13) .
C19 O7 1.468(7) .
C19 C20 1.490(10) .
C20 C21 1.437(12) .
C22 O8 1.439(9) .
C22 C23 1.491(8) .
C23 C24 1.433(9) .
C25 O9 1.350(14) .
C25 C26 1.568(9) .
C26 C27 1.534(10) .
C25B O9 1.387(17) .
C25B C26B 1.58(2) .
C26B C27B 1.53(2) .
C28 O10 1.269(14) .
C28 C29 1.592(9) .
C29 C30 1.528(9) .
C28B O10 1.320(17) .
C28B C29B 1.64(2) .
C29B C30B 1.46(2) .
C31 O11 1.363(10) .
C31 C32 1.567(16) .
C32 C33 1.16(2) .
C31B O11 1.395(16) .
C31B C32B 1.55(2) .
C32B C33B 1.18(3) .
C34 O12 1.458(7) .
C34 C35 1.488(8) .
C35 C36 1.508(9) .
O1 P1 1.569(4) .
O2 P1 1.608(4) .
O3 P2 1.559(4) .
O4 P2 1.583(4) .
O5 P3 1.588(4) .
O6 P3 1.575(4) .
O7 P4 1.573(4) .
O8 P4 1.585(4) .
O9 P5 1.570(5) .
O10 P5 1.552(5) .
O11 P6 1.585(4) .
O12 P6 1.582(4) .
P1 S3 1.997(2) .
P1 S2 2.0007(19) .
P2 S4 1.991(2) .
P2 S5 2.012(2) .
P3 S6 1.969(2) .
P3 S7 2.004(2) .
P4 S8 1.981(3) .
P4 S9 1.998(2) .
P5 S10 1.957(3) .
P5 S11 1.997(2) .
P6 S12 1.992(2) .
P6 S13 1.9976(19) .
