# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2025

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

data_1a
_database_code_depnum_ccdc_archive 'CCDC 2379720'
loop_
_audit_author_name
_audit_author_address
'Chen-Wei Liu'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2024-08-26 deposited with the CCDC.	2024-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H172 Ag16 Cl4 O24 P12 Pd S26'
_chemical_formula_weight         4625.43

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.2605(7)
_cell_length_b                   21.6169(8)
_cell_length_c                   18.9717(7)
_cell_angle_alpha                90
_cell_angle_beta                 96.3720(10)
_cell_angle_gamma                90
_cell_volume                     7442.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9986
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      28.27

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_F_000             4540
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.787
_shelx_estimated_absorpt_T_min   0.489
_shelx_estimated_absorpt_T_max   0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6039
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57603
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.433
_diffrn_reflns_theta_max         28.317
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             18453
_reflns_number_gt                16312
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²+30.7193P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18453
_refine_ls_number_parameters     794
_refine_ls_number_restraints     328
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0806
_refine_ls_wR_factor_gt          0.0762
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.36848(2) 0.43773(2) 0.52615(2) 0.02312(6) Uani 1 1 d . . . . .
Ag2 Ag 0.39925(2) 0.56671(2) 0.57705(2) 0.02368(6) Uani 1 1 d . . . . .
Ag3 Ag 0.36729(2) 0.55098(2) 0.42635(2) 0.02107(6) Uani 1 1 d . . . . .
Ag4 Ag 0.50843(2) 0.54361(2) 0.35341(2) 0.02119(6) Uani 1 1 d . . . . .
Ag5 Ag 0.56995(2) 0.57432(2) 0.61486(2) 0.01834(5) Uani 1 1 d . . . . .
Ag6 Ag 0.50307(2) 0.70171(2) 0.58769(2) 0.03003(7) Uani 1 1 d . . . . .
Ag7 Ag 0.57378(2) 0.71928(2) 0.44091(2) 0.03037(7) Uani 1 1 d . . . . .
Ag8 Ag 0.42129(2) 0.67339(2) 0.36765(2) 0.03197(7) Uani 1 1 d . . . . .
Pd1 Pd 0.500000 0.500000 0.500000 0.01243(7) Uani 1 2 d S . P B .
Cl1 Cl -0.1017(2) 0.6788(2) 0.4384(2) 0.0848(9) Uani 0.5 1 d . . P A 1
Cl1B Cl -0.0580(2) 0.6480(2) 0.4607(2) 0.0848(9) Uani 0.5 1 d . . P A 2
Cl2 Cl -0.10799(10) 0.57133(9) 0.33997(10) 0.0746(5) Uani 1 1 d . . . . .
S1 S 0.27991(5) 0.50372(5) 0.58855(5) 0.0284(2) Uani 1 1 d . . . . .
S2 S 0.26503(6) 0.61969(5) 0.46741(6) 0.0334(2) Uani 1 1 d . . . . .
S3 S 0.50037(5) 0.56302(4) 0.72922(5) 0.02205(17) Uani 1 1 d . . . . .
S4 S 0.38807(6) 0.67241(5) 0.64157(5) 0.0280(2) Uani 1 1 d . . . . .
S5 S 0.63762(8) 0.68465(9) 0.64714(9) 0.0192(3) Uani 0.8 1 d D . P B 1
S6 S 0.69463(11) 0.66845(8) 0.48018(7) 0.0223(3) Uani 0.8 1 d D . P B 1
S5B S 0.6194(4) 0.6888(4) 0.6558(5) 0.0192(3) Uani 0.2 1 d D . P B 2
S6B S 0.6943(5) 0.6793(4) 0.4971(4) 0.0223(3) Uani 0.2 1 d D . P B 2
S7 S 0.51933(7) 0.79942(5) 0.51767(5) 0.0325(2) Uani 1 1 d . . . . .
S8 S 0.35271(6) 0.75048(5) 0.43417(6) 0.0341(2) Uani 1 1 d . . . . .
S9 S 0.52620(5) 0.73339(4) 0.31338(5) 0.02389(18) Uani 1 1 d . . . . .
S10 S 0.62022(5) 0.59552(4) 0.30552(5) 0.02207(17) Uani 1 1 d . . . . .
S11 S 0.39565(5) 0.59528(4) 0.26583(5) 0.02431(18) Uani 1 1 d . . . . .
S12 S 0.30290(5) 0.47506(4) 0.33483(5) 0.02335(18) Uani 1 1 d . . . . .
S13 S 0.50471(5) 0.39482(4) 0.51659(4) 0.01706(15) Uani 1 1 d . . . . .
P1 P 0.21482(5) 0.55519(5) 0.51802(5) 0.0255(2) Uani 1 1 d . . . . .
P2 P 0.42095(6) 0.62698(4) 0.73186(5) 0.02335(19) Uani 1 1 d . . . . .
P3 P 0.71046(7) 0.70361(6) 0.57864(6) 0.0200(2) Uani 0.8 1 d D . P B 1
P3B P 0.6920(3) 0.7200(3) 0.5916(3) 0.0200(2) Uani 0.2 1 d D . P B 2
P4 P 0.42121(7) 0.81914(5) 0.46142(5) 0.0301(2) Uani 1 1 d . . . . .
P5 P 0.58702(5) 0.67522(4) 0.26089(5) 0.01997(17) Uani 1 1 d . . . . .
P6 P 0.30509(5) 0.54248(4) 0.26317(5) 0.02117(18) Uani 1 1 d . . . . .
O1 O 0.15112(15) 0.58356(16) 0.55861(15) 0.0338(7) Uani 1 1 d . . . . .
O2 O 0.16847(15) 0.50811(16) 0.46764(15) 0.0341(7) Uani 1 1 d D . . . .
O3 O 0.34790(16) 0.59848(13) 0.75512(15) 0.0288(6) Uani 1 1 d . . . . .
O4 O 0.44444(17) 0.67347(13) 0.79498(15) 0.0312(6) Uani 1 1 d . . . . .
O5 O 0.7141(2) 0.77700(16) 0.57550(18) 0.0272(7) Uani 0.8 1 d D . P B 1
O6 O 0.78895(18) 0.68061(17) 0.60837(17) 0.0262(7) Uani 0.8 1 d D . P B 1
O5B O 0.6784(9) 0.7913(6) 0.5830(8) 0.0272(7) Uani 0.2 1 d D . P B 2
O6B O 0.7714(6) 0.7239(7) 0.6315(7) 0.0262(7) Uani 0.2 1 d D . P B 2
O7 O 0.3817(2) 0.86893(13) 0.50616(15) 0.0405(8) Uani 1 1 d . . . . .
O8 O 0.43474(19) 0.85838(13) 0.39390(15) 0.0344(7) Uani 1 1 d . . . . .
O9 O 0.65737(15) 0.71141(13) 0.24024(14) 0.0279(6) Uani 1 1 d . . . . .
O10 O 0.54073(15) 0.66755(13) 0.18602(14) 0.0268(6) Uani 1 1 d . . . . .
O11 O 0.23376(16) 0.58137(14) 0.27219(16) 0.0333(7) Uani 1 1 d . . . . .
O12 O 0.2845(2) 0.51731(15) 0.18586(16) 0.0435(8) Uani 1 1 d D . . . .
C1 C 0.1641(3) 0.6281(3) 0.6165(2) 0.0441(11) Uani 1 1 d . . . . .
H1 H 0.215626 0.623776 0.639990 0.053 Uiso 1 1 calc R U . . .
C2 C 0.1526(4) 0.6920(3) 0.5874(4) 0.075(2) Uani 1 1 d . . . . .
H2A H 0.189936 0.701005 0.555497 0.113 Uiso 1 1 calc R U . . .
H2B H 0.156875 0.721850 0.626472 0.113 Uiso 1 1 calc R U . . .
H2C H 0.103418 0.694987 0.561063 0.113 Uiso 1 1 calc R U . . .
C3 C 0.1100(3) 0.6121(4) 0.6682(3) 0.071(2) Uani 1 1 d . . . . .
H3A H 0.059832 0.613342 0.643855 0.107 Uiso 1 1 calc R U . . .
H3B H 0.114573 0.641993 0.707216 0.107 Uiso 1 1 calc R U . . .
H3C H 0.120587 0.570428 0.687048 0.107 Uiso 1 1 calc R U . . .
C4 C 0.1334(4) 0.5324(4) 0.3976(4) 0.0353(13) Uani 0.5 1 d D . P C 1
H4 H 0.172409 0.546576 0.368270 0.042 Uiso 0.5 1 calc R U P C 1
C5 C 0.0777(5) 0.5838(5) 0.4034(5) 0.0449(16) Uani 0.5 1 d D . P C 1
H5A H 0.058620 0.597938 0.355775 0.067 Uiso 0.5 1 calc R U P C 1
H5B H 0.101652 0.618468 0.430186 0.067 Uiso 0.5 1 calc R U P C 1
H5C H 0.036944 0.568340 0.427946 0.067 Uiso 0.5 1 calc R U P C 1
C6 C 0.0990(12) 0.4730(6) 0.3671(7) 0.047(3) Uani 0.5 1 d D . P C 1
H6A H 0.137308 0.441491 0.365525 0.070 Uiso 0.5 1 calc R U P C 1
H6B H 0.075277 0.480756 0.318986 0.070 Uiso 0.5 1 calc R U P C 1
H6C H 0.062079 0.458472 0.397020 0.070 Uiso 0.5 1 calc R U P C 1
C4B C 0.0961(4) 0.5157(5) 0.4274(4) 0.0353(13) Uani 0.5 1 d D . P C 2
H4B H 0.083936 0.560802 0.425320 0.042 Uiso 0.5 1 calc R U P C 2
C5B C 0.0379(5) 0.4831(5) 0.4616(5) 0.0449(16) Uani 0.5 1 d D . P C 2
H5B1 H 0.044602 0.438309 0.457540 0.067 Uiso 0.5 1 calc R U P C 2
H5B2 H -0.010624 0.494764 0.437968 0.067 Uiso 0.5 1 calc R U P C 2
H5B3 H 0.041220 0.494696 0.511742 0.067 Uiso 0.5 1 calc R U P C 2
C6B C 0.1006(12) 0.4930(7) 0.3522(6) 0.047(3) Uani 0.5 1 d D . P C 2
H6B1 H 0.137856 0.516972 0.330648 0.070 Uiso 0.5 1 calc R U P C 2
H6B2 H 0.052573 0.498282 0.324173 0.070 Uiso 0.5 1 calc R U P C 2
H6B3 H 0.114204 0.449143 0.353231 0.070 Uiso 0.5 1 calc R U P C 2
C7 C 0.3445(3) 0.5457(2) 0.8035(2) 0.0342(9) Uani 1 1 d . . . . .
H7 H 0.377413 0.511914 0.789400 0.041 Uiso 1 1 calc R U . . .
C8 C 0.3699(4) 0.5657(3) 0.8789(3) 0.0515(13) Uani 1 1 d . . . . .
H8A H 0.422713 0.574945 0.883306 0.077 Uiso 1 1 calc R U . . .
H8B H 0.360550 0.532411 0.911749 0.077 Uiso 1 1 calc R U . . .
H8C H 0.342658 0.602841 0.890279 0.077 Uiso 1 1 calc R U . . .
C9 C 0.2659(3) 0.5239(3) 0.7934(3) 0.0485(12) Uani 1 1 d . . . . .
H9A H 0.233507 0.557197 0.806362 0.073 Uiso 1 1 calc R U . . .
H9B H 0.260376 0.487815 0.823553 0.073 Uiso 1 1 calc R U . . .
H9C H 0.252556 0.512596 0.743583 0.073 Uiso 1 1 calc R U . . .
C10 C 0.5143(3) 0.7081(2) 0.8009(2) 0.0346(9) Uani 1 1 d . . . . .
H10 H 0.549015 0.688208 0.770472 0.042 Uiso 1 1 calc R U . . .
C11 C 0.4986(3) 0.7733(2) 0.7766(3) 0.0420(11) Uani 1 1 d . . . . .
H11A H 0.476334 0.773063 0.727145 0.063 Uiso 1 1 calc R U . . .
H11B H 0.544721 0.796898 0.780262 0.063 Uiso 1 1 calc R U . . .
H11C H 0.464540 0.792593 0.806466 0.063 Uiso 1 1 calc R U . . .
C12 C 0.5456(4) 0.7040(3) 0.8779(3) 0.0646(17) Uani 1 1 d . . . . .
H12A H 0.511269 0.723237 0.907543 0.097 Uiso 1 1 calc R U . . .
H12B H 0.593006 0.725534 0.884721 0.097 Uiso 1 1 calc R U . . .
H12C H 0.552649 0.660414 0.891355 0.097 Uiso 1 1 calc R U . . .
C13 C 0.7437(4) 0.8121(3) 0.5183(3) 0.0409(13) Uani 0.8 1 d D . P B 1
H13 H 0.726477 0.791905 0.472011 0.049 Uiso 0.8 1 calc R U P B 1
C14 C 0.7108(4) 0.8749(3) 0.5188(4) 0.0529(16) Uani 0.8 1 d D . P B 1
H14A H 0.656932 0.871484 0.514517 0.079 Uiso 0.8 1 calc R U P B 1
H14B H 0.725385 0.898886 0.478784 0.079 Uiso 0.8 1 calc R U P B 1
H14C H 0.728216 0.895824 0.563324 0.079 Uiso 0.8 1 calc R U P B 1
C15 C 0.8247(5) 0.8114(5) 0.5277(7) 0.106(4) Uani 0.8 1 d D . P B 1
H15A H 0.842537 0.834436 0.570706 0.159 Uiso 0.8 1 calc R U P B 1
H15B H 0.843367 0.830678 0.486553 0.159 Uiso 0.8 1 calc R U P B 1
H15C H 0.842095 0.768530 0.532239 0.159 Uiso 0.8 1 calc R U P B 1
C16 C 0.8364(4) 0.7053(4) 0.6673(3) 0.0440(16) Uani 0.8 1 d D . P B 1
H16 H 0.824934 0.750127 0.673127 0.053 Uiso 0.8 1 calc R U P B 1
C17 C 0.9139(5) 0.6989(6) 0.6488(6) 0.051(2) Uani 0.8 1 d D . P B 1
H17A H 0.927203 0.655034 0.648121 0.076 Uiso 0.8 1 calc R U P B 1
H17B H 0.947691 0.720570 0.684299 0.076 Uiso 0.8 1 calc R U P B 1
H17C H 0.917390 0.717037 0.601947 0.076 Uiso 0.8 1 calc R U P B 1
C18 C 0.8242(4) 0.6713(4) 0.7341(4) 0.0407(15) Uani 0.8 1 d D . P B 1
H18A H 0.772847 0.676252 0.743464 0.061 Uiso 0.8 1 calc R U P B 1
H18B H 0.856952 0.688082 0.773924 0.061 Uiso 0.8 1 calc R U P B 1
H18C H 0.834910 0.627218 0.728424 0.061 Uiso 0.8 1 calc R U P B 1
C13B C 0.7055(14) 0.8313(10) 0.5280(11) 0.0409(13) Uani 0.2 1 d D . P B 2
H13B H 0.687754 0.814600 0.479987 0.049 Uiso 0.2 1 calc R U P B 2
C14B C 0.6714(17) 0.8930(11) 0.5370(16) 0.0529(16) Uani 0.2 1 d D . P B 2
H14D H 0.617892 0.888349 0.535751 0.079 Uiso 0.2 1 calc R U P B 2
H14E H 0.682536 0.920490 0.498490 0.079 Uiso 0.2 1 calc R U P B 2
H14F H 0.691344 0.910808 0.582635 0.079 Uiso 0.2 1 calc R U P B 2
C15B C 0.7868(16) 0.832(2) 0.537(3) 0.106(4) Uani 0.2 1 d D . P B 2
H15D H 0.804549 0.858681 0.500586 0.159 Uiso 0.2 1 calc R U P B 2
H15E H 0.804353 0.848391 0.584100 0.159 Uiso 0.2 1 calc R U P B 2
H15F H 0.805458 0.790051 0.532300 0.159 Uiso 0.2 1 calc R U P B 2
C16B C 0.8285(14) 0.711(2) 0.6862(13) 0.0440(16) Uani 0.2 1 d D . P B 2
H16B H 0.830594 0.752102 0.710164 0.053 Uiso 0.2 1 calc R U P B 2
C17B C 0.903(2) 0.712(3) 0.662(3) 0.051(2) Uani 0.2 1 d D . P B 2
H17D H 0.936725 0.686219 0.693357 0.076 Uiso 0.2 1 calc R U P B 2
H17E H 0.921399 0.754245 0.661842 0.076 Uiso 0.2 1 calc R U P B 2
H17F H 0.900194 0.694948 0.613326 0.076 Uiso 0.2 1 calc R U P B 2
C18B C 0.8033(19) 0.674(2) 0.7447(19) 0.0407(15) Uani 0.2 1 d D . P B 2
H18D H 0.749541 0.676567 0.742895 0.061 Uiso 0.2 1 calc R U P B 2
H18E H 0.826049 0.689628 0.790286 0.061 Uiso 0.2 1 calc R U P B 2
H18F H 0.817544 0.630380 0.739457 0.061 Uiso 0.2 1 calc R U P B 2
C19 C 0.3579(3) 0.8531(2) 0.5751(2) 0.0431(11) Uani 1 1 d . . . . .
H19 H 0.372364 0.809442 0.587314 0.052 Uiso 1 1 calc R U . . .
C20 C 0.3979(4) 0.8962(3) 0.6292(3) 0.0594(16) Uani 1 1 d . . . . .
H20A H 0.451158 0.890382 0.629851 0.089 Uiso 1 1 calc R U . . .
H20B H 0.383190 0.887104 0.676204 0.089 Uiso 1 1 calc R U . . .
H20C H 0.385131 0.939135 0.616435 0.089 Uiso 1 1 calc R U . . .
C21 C 0.2749(4) 0.8586(3) 0.5683(3) 0.0615(15) Uani 1 1 d . . . . .
H21A H 0.260386 0.900152 0.551468 0.092 Uiso 1 1 calc R U . . .
H21B H 0.257464 0.851399 0.614574 0.092 Uiso 1 1 calc R U . . .
H21C H 0.253159 0.827791 0.534271 0.092 Uiso 1 1 calc R U . . .
C22 C 0.4844(4) 0.9118(2) 0.3972(3) 0.0543(14) Uani 1 1 d . U . . .
H22 H 0.516676 0.913672 0.443353 0.065 Uiso 1 1 calc R U . . .
C23 C 0.5265(6) 0.9093(3) 0.3384(5) 0.107(3) Uani 1 1 d . U . . .
H23A H 0.555573 0.871109 0.340812 0.161 Uiso 1 1 calc R U . . .
H23B H 0.559544 0.945055 0.339803 0.161 Uiso 1 1 calc R U . . .
H23C H 0.493171 0.909934 0.294203 0.161 Uiso 1 1 calc R U . . .
C24 C 0.4311(6) 0.9699(3) 0.3868(6) 0.112(3) Uani 1 1 d . U . . .
H24A H 0.459832 1.007999 0.395311 0.168 Uiso 1 1 calc R U . . .
H24B H 0.394106 0.967482 0.420408 0.168 Uiso 1 1 calc R U . . .
H24C H 0.406336 0.970162 0.338232 0.168 Uiso 1 1 calc R U . . .
C25 C 0.7197(2) 0.7245(2) 0.2935(2) 0.0331(9) Uani 1 1 d . . . . .
H25 H 0.713047 0.701973 0.338434 0.040 Uiso 1 1 calc R U . . .
C26 C 0.7873(3) 0.7006(3) 0.2638(3) 0.0610(16) Uani 1 1 d . . . . .
H26A H 0.784459 0.655458 0.259677 0.092 Uiso 1 1 calc R U . . .
H26B H 0.831260 0.712084 0.295470 0.092 Uiso 1 1 calc R U . . .
H26C H 0.790182 0.718723 0.216824 0.092 Uiso 1 1 calc R U . . .
C27 C 0.7236(3) 0.7927(3) 0.3076(3) 0.0535(14) Uani 1 1 d . . . . .
H27A H 0.729191 0.814755 0.263322 0.080 Uiso 1 1 calc R U . . .
H27B H 0.765834 0.801752 0.342518 0.080 Uiso 1 1 calc R U . . .
H27C H 0.678139 0.806321 0.325973 0.080 Uiso 1 1 calc R U . . .
C28 C 0.5589(3) 0.6221(2) 0.1333(2) 0.0363(10) Uani 1 1 d . . . . .
H28 H 0.608027 0.604039 0.150463 0.044 Uiso 1 1 calc R U . . .
C29 C 0.5676(5) 0.6585(3) 0.0657(3) 0.073(2) Uani 1 1 d . . . . .
H29A H 0.588502 0.631569 0.031562 0.110 Uiso 1 1 calc R U . . .
H29B H 0.600663 0.693719 0.077193 0.110 Uiso 1 1 calc R U . . .
H29C H 0.519362 0.673672 0.045151 0.110 Uiso 1 1 calc R U . . .
C30 C 0.5070(4) 0.5715(3) 0.1217(3) 0.0587(15) Uani 1 1 d . . . . .
H30A H 0.504010 0.549507 0.166450 0.088 Uiso 1 1 calc R U . . .
H30B H 0.523619 0.542876 0.086651 0.088 Uiso 1 1 calc R U . . .
H30C H 0.458305 0.587765 0.104089 0.088 Uiso 1 1 calc R U . . .
C31 C 0.2110(2) 0.6365(2) 0.2308(2) 0.0324(9) Uani 1 1 d . . . . .
H31 H 0.246845 0.645330 0.195906 0.039 Uiso 1 1 calc R U . . .
C32 C 0.2106(3) 0.6888(2) 0.2827(3) 0.0392(10) Uani 1 1 d . . . . .
H32A H 0.179179 0.677940 0.319446 0.059 Uiso 1 1 calc R U . . .
H32B H 0.191501 0.726138 0.257829 0.059 Uiso 1 1 calc R U . . .
H32C H 0.260959 0.696374 0.304631 0.059 Uiso 1 1 calc R U . . .
C33 C 0.1359(3) 0.6219(2) 0.1922(3) 0.0461(12) Uani 1 1 d . . . . .
H33A H 0.140456 0.588123 0.158596 0.069 Uiso 1 1 calc R U . . .
H33B H 0.116322 0.658732 0.166496 0.069 Uiso 1 1 calc R U . . .
H33C H 0.102447 0.609536 0.226635 0.069 Uiso 1 1 calc R U . . .
C34 C 0.3250(7) 0.4711(4) 0.1524(7) 0.0410(14) Uani 0.65 1 d D . P D 1
H34 H 0.377018 0.472804 0.175347 0.049 Uiso 0.65 1 calc R U P D 1
C35 C 0.3264(6) 0.4896(5) 0.0746(4) 0.0538(18) Uani 0.65 1 d D . P D 1
H35A H 0.276447 0.487360 0.049916 0.081 Uiso 0.65 1 calc R U P D 1
H35B H 0.358715 0.461355 0.052025 0.081 Uiso 0.65 1 calc R U P D 1
H35C H 0.345052 0.531999 0.072139 0.081 Uiso 0.65 1 calc R U P D 1
C36 C 0.2990(6) 0.4075(4) 0.1599(5) 0.060(2) Uani 0.65 1 d D . P D 1
H36A H 0.308574 0.394728 0.209662 0.090 Uiso 0.65 1 calc R U P D 1
H36B H 0.325170 0.379806 0.130352 0.090 Uiso 0.65 1 calc R U P D 1
H36C H 0.246007 0.405485 0.144812 0.090 Uiso 0.65 1 calc R U P D 1
C34B C 0.3150(12) 0.4633(7) 0.1561(13) 0.0410(14) Uani 0.35 1 d D . P D 2
H34B H 0.340871 0.436437 0.193923 0.049 Uiso 0.35 1 calc R U P D 2
C35B C 0.3695(10) 0.4913(8) 0.1087(8) 0.0538(18) Uani 0.35 1 d D . P D 2
H35D H 0.345028 0.524101 0.079272 0.081 Uiso 0.35 1 calc R U P D 2
H35E H 0.386486 0.458946 0.078107 0.081 Uiso 0.35 1 calc R U P D 2
H35F H 0.411873 0.508575 0.138508 0.081 Uiso 0.35 1 calc R U P D 2
C36B C 0.2501(11) 0.4331(8) 0.1215(9) 0.060(2) Uani 0.35 1 d D . P D 2
H36D H 0.209880 0.436487 0.151506 0.090 Uiso 0.35 1 calc R U P D 2
H36E H 0.260923 0.389409 0.113899 0.090 Uiso 0.35 1 calc R U P D 2
H36F H 0.235439 0.453100 0.075754 0.090 Uiso 0.35 1 calc R U P D 2
C37 C -0.1400(6) 0.6058(4) 0.4159(5) 0.106(3) Uani 1 1 d . U . . .
H37A H -0.194266 0.610113 0.407383 0.127 Uiso 1 1 calc R U . A 1
H37B H -0.128815 0.577657 0.456855 0.127 Uiso 1 1 calc R U . A 1


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1 2.5451(10) . ?
Ag1 S6 2.5653(17) 3_666 ?
Ag1 S13 2.6799(9) . ?
Ag1 S6B 2.792(9) 3_666 ?
Ag1 Pd1 2.8443(3) . ?
Ag1 Ag2 2.9835(4) . ?
Ag1 Ag5 3.0258(4) 3_666 ?
Ag1 Ag4 3.0487(4) 3_666 ?
Ag1 Ag3 3.0935(4) . ?
Ag2 S1 2.5992(10) . ?
Ag2 S4 2.6109(10) . ?
Ag2 S13 2.7593(9) 3_666 ?
Ag2 Pd1 2.8632(3) . ?
Ag2 Ag3 2.8739(4) . ?
Ag2 Ag5 3.1244(4) . ?
Ag2 Ag4 3.1266(4) 3_666 ?
Ag3 S2 2.5733(10) . ?
Ag3 S12 2.5764(10) . ?
Ag3 S13 2.7287(9) 3_666 ?
Ag3 Pd1 2.8789(3) . ?
Ag3 Ag4 3.0617(4) . ?
Ag3 Ag8 3.0753(4) . ?
Ag3 Ag5 3.0758(4) 3_666 ?
Ag4 S10 2.5815(9) . ?
Ag4 S11 2.7368(10) . ?
Ag4 S3 2.7821(9) 3_666 ?
Ag4 S13 2.8360(9) 3_666 ?
Ag4 Pd1 2.9565(3) . ?
Ag4 Ag5 3.0168(4) 3_666 ?
Ag4 Ag8 3.2513(4) . ?
Ag5 S12 2.6362(9) 3_666 ?
Ag5 S3 2.6445(9) . ?
Ag5 S5B 2.718(10) . ?
Ag5 S5 2.7243(19) . ?
Ag5 S13 2.7871(9) 3_666 ?
Ag5 Pd1 2.8885(3) . ?
Ag5 Ag6 3.0332(4) . ?
Ag6 S5B 2.377(9) . ?
Ag6 S4 2.5165(11) . ?
Ag6 S7 2.5301(10) . ?
Ag6 S5 2.6134(17) . ?
Ag6 S13 2.8680(9) 3_666 ?
Ag6 Ag7 3.2192(5) . ?
Ag7 S6B 2.491(10) . ?
Ag7 S9 2.4970(9) . ?
Ag7 S6 2.503(2) . ?
Ag7 S7 2.5360(12) . ?
Ag7 Ag8 3.1323(4) . ?
Ag8 S8 2.5078(11) . ?
Ag8 S11 2.5692(10) . ?
Ag8 S9 2.6174(10) . ?
Ag8 S13 2.8574(9) 3_666 ?
Pd1 S13 2.2956(8) 3_666 ?
Pd1 S13 2.2957(8) . ?
Cl1 C37 1.760(9) . ?
Cl1B C37 1.874(10) . ?
Cl2 C37 1.778(9) . ?
S1 P1 2.0218(13) . ?
S2 P1 1.9754(15) . ?
S3 P2 2.0084(13) . ?
S4 P2 2.0078(14) . ?
S5 P3 2.0024(18) . ?
S6 P3 2.0078(17) . ?
S5B P3B 2.013(9) . ?
S6B P3B 2.002(8) . ?
S7 P4 2.0264(16) . ?
S8 P4 1.9727(16) . ?
S9 P5 2.0129(14) . ?
S10 P5 1.9847(13) . ?
S11 P6 2.0053(13) . ?
S12 P6 1.9966(13) . ?
P1 O2 1.577(3) . ?
P1 O1 1.588(3) . ?
P2 O3 1.576(3) . ?
P2 O4 1.586(3) . ?
P3 O6 1.562(4) . ?
P3 O5 1.589(4) . ?
P3B O6B 1.561(11) . ?
P3B O5B 1.566(13) . ?
P4 O8 1.578(3) . ?
P4 O7 1.592(3) . ?
P5 O10 1.579(3) . ?
P5 O9 1.590(3) . ?
P6 O12 1.571(3) . ?
P6 O11 1.575(3) . ?
O1 C1 1.460(6) . ?
O2 C4B 1.461(8) . ?
O2 C4 1.504(8) . ?
O3 C7 1.471(5) . ?
O4 C10 1.472(6) . ?
O5 C13 1.475(6) . ?
O6 C16 1.439(7) . ?
O5B C13B 1.482(16) . ?
O6B C16B 1.417(18) . ?
O7 C19 1.464(5) . ?
O8 C22 1.466(6) . ?
O9 C25 1.464(5) . ?
O10 C28 1.466(5) . ?
O11 C31 1.462(5) . ?
O12 C34 1.433(9) . ?
O12 C34B 1.437(14) . ?
C1 C2 1.492(9) . ?
C1 C3 1.507(7) . ?
C4 C6 1.514(13) . ?
C4 C5 1.520(12) . ?
C4B C5B 1.483(11) . ?
C4B C6B 1.519(13) . ?
C7 C9 1.502(7) . ?
C7 C8 1.517(7) . ?
C10 C11 1.502(6) . ?
C10 C12 1.511(7) . ?
C13 C15 1.470(12) . ?
C13 C14 1.486(10) . ?
C16 C17 1.501(9) . ?
C16 C18 1.503(9) . ?
C13B C15B 1.48(2) . ?
C13B C14B 1.49(2) . ?
C16B C18B 1.483(19) . ?
C16B C17B 1.488(19) . ?
C19 C21 1.511(8) . ?
C19 C20 1.512(7) . ?
C22 C23 1.423(9) . ?
C22 C24 1.589(10) . ?
C25 C27 1.500(7) . ?
C25 C26 1.504(7) . ?
C28 C30 1.449(7) . ?
C28 C29 1.527(7) . ?
C31 C32 1.498(7) . ?
C31 C33 1.514(6) . ?
C34 C36 1.467(12) . ?
C34 C35 1.532(13) . ?
C34B C36B 1.44(2) . ?
C34B C35B 1.538(16) . ?

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
S1 Ag1 S6 102.59(5) . 3_666 ?
S1 Ag1 S13 150.24(3) . . ?
S6 Ag1 S13 95.89(5) 3_666 . ?
S1 Ag1 S6B 108.07(19) . 3_666 ?
S6 Ag1 S6B 7.00(16) 3_666 3_666 ?
S13 Ag1 S6B 92.5(2) . 3_666 ?
S1 Ag1 Pd1 114.10(3) . . ?
S6 Ag1 Pd1 143.03(4) 3_666 . ?
S13 Ag1 Pd1 48.998(18) . . ?
S6B Ag1 Pd1 137.83(19) 3_666 . ?
S1 Ag1 Ag2 55.40(3) . . ?
S6 Ag1 Ag2 156.76(4) 3_666 . ?
S13 Ag1 Ag2 101.68(2) . . ?
S6B Ag1 Ag2 163.15(17) 3_666 . ?
Pd1 Ag1 Ag2 58.793(7) . . ?
S1 Ag1 Ag5 141.00(2) . 3_666 ?
S6 Ag1 Ag5 95.20(3) 3_666 3_666 ?
S13 Ag1 Ag5 58.102(19) . 3_666 ?
Pd1 Ag1 Ag5 58.855(7) . 3_666 ?
Ag2 Ag1 Ag5 106.949(11) . 3_666 ?
S1 Ag1 Ag4 91.77(2) . 3_666 ?
S6 Ag1 Ag4 116.33(4) 3_666 3_666 ?
S13 Ag1 Ag4 58.927(19) . 3_666 ?
Pd1 Ag1 Ag4 60.105(7) . 3_666 ?
Ag2 Ag1 Ag4 62.427(9) . 3_666 ?
Ag5 Ag1 Ag4 111.015(11) 3_666 3_666 ?
S1 Ag1 Ag3 83.07(2) . . ?
S6 Ag1 Ag3 134.98(4) 3_666 . ?
S13 Ag1 Ag3 100.139(19) . . ?
S6B Ag1 Ag3 130.21(18) 3_666 . ?
Pd1 Ag1 Ag3 57.822(7) . . ?
Ag2 Ag1 Ag3 56.413(9) . . ?
Ag5 Ag1 Ag3 60.338(9) 3_666 . ?
Ag4 Ag1 Ag3 107.970(11) 3_666 . ?
S1 Ag2 S4 108.01(3) . . ?
S1 Ag2 S13 144.15(3) . 3_666 ?
S4 Ag2 S13 97.26(3) . 3_666 ?
S1 Ag2 Pd1 111.79(3) . . ?
S4 Ag2 Pd1 140.20(3) . . ?
S13 Ag2 Pd1 48.151(17) 3_666 . ?
S1 Ag2 Ag3 86.67(2) . . ?
S4 Ag2 Ag3 123.51(2) . . ?
S13 Ag2 Ag3 57.902(19) 3_666 . ?
Pd1 Ag2 Ag3 60.240(7) . . ?
S1 Ag2 Ag1 53.71(2) . . ?
S4 Ag2 Ag1 161.42(3) . . ?
S13 Ag2 Ag1 100.580(19) 3_666 . ?
Pd1 Ag2 Ag1 58.177(7) . . ?
Ag3 Ag2 Ag1 63.728(10) . . ?
S1 Ag2 Ag5 146.38(2) . . ?
S4 Ag2 Ag5 88.52(3) . . ?
S13 Ag2 Ag5 56.135(18) 3_666 . ?
Pd1 Ag2 Ag5 57.488(7) . . ?
Ag3 Ag2 Ag5 108.778(11) . . ?
Ag1 Ag2 Ag5 105.711(11) . . ?
S1 Ag2 Ag4 89.02(2) . 3_666 ?
S4 Ag2 Ag4 122.43(2) . 3_666 ?
S13 Ag2 Ag4 98.631(19) 3_666 3_666 ?
Pd1 Ag2 Ag4 58.959(7) . 3_666 ?
Ag3 Ag2 Ag4 111.715(11) . 3_666 ?
Ag1 Ag2 Ag4 59.810(9) . 3_666 ?
Ag5 Ag2 Ag4 57.714(8) . 3_666 ?
S2 Ag3 S12 106.23(4) . . ?
S2 Ag3 S13 104.51(3) . 3_666 ?
S12 Ag3 S13 147.95(3) . 3_666 ?
S2 Ag3 Ag2 72.83(3) . . ?
S12 Ag3 Ag2 140.61(2) . . ?
S13 Ag3 Ag2 58.943(19) 3_666 . ?
S2 Ag3 Pd1 132.38(3) . . ?
S12 Ag3 Pd1 112.32(2) . . ?
S13 Ag3 Pd1 48.239(18) 3_666 . ?
Ag2 Ag3 Pd1 59.694(7) . . ?
S2 Ag3 Ag4 147.39(3) . . ?
S12 Ag3 Ag4 90.36(2) . . ?
S13 Ag3 Ag4 58.313(19) 3_666 . ?
Ag2 Ag3 Ag4 111.564(11) . . ?
Pd1 Ag3 Ag4 59.598(7) . . ?
S2 Ag3 Ag8 83.43(3) . . ?
S12 Ag3 Ag8 116.41(2) . . ?
S13 Ag3 Ag8 58.622(19) 3_666 . ?
Ag2 Ag3 Ag8 102.745(12) . . ?
Pd1 Ag3 Ag8 102.630(10) . . ?
Ag4 Ag3 Ag8 63.980(10) . . ?
S2 Ag3 Ag5 152.69(3) . 3_666 ?
S12 Ag3 Ag5 54.74(2) . 3_666 ?
S13 Ag3 Ag5 98.744(19) 3_666 3_666 ?
Ag2 Ag3 Ag5 108.464(11) . 3_666 ?
Pd1 Ag3 Ag5 57.920(7) . 3_666 ?
Ag4 Ag3 Ag5 58.882(8) . 3_666 ?
Ag8 Ag3 Ag5 121.479(12) . 3_666 ?
S2 Ag3 Ag1 103.16(2) . . ?
S12 Ag3 Ag1 83.11(2) . . ?
S13 Ag3 Ag1 98.592(19) 3_666 . ?
Ag2 Ag3 Ag1 59.859(10) . . ?
Pd1 Ag3 Ag1 56.743(7) . . ?
Ag4 Ag3 Ag1 106.635(11) . . ?
Ag8 Ag3 Ag1 157.189(12) . . ?
Ag5 Ag3 Ag1 58.740(9) 3_666 . ?
S10 Ag4 S11 100.37(3) . . ?
S10 Ag4 S3 99.22(3) . 3_666 ?
S11 Ag4 S3 90.20(3) . 3_666 ?
S10 Ag4 S13 104.40(3) . 3_666 ?
S11 Ag4 S13 101.88(3) . 3_666 ?
S3 Ag4 S13 150.89(3) 3_666 3_666 ?
S10 Ag4 Pd1 126.54(2) . . ?
S11 Ag4 Pd1 125.95(2) . . ?
S3 Ag4 Pd1 105.08(2) 3_666 . ?
S13 Ag4 Pd1 46.637(17) 3_666 . ?
S10 Ag4 Ag5 148.08(2) . 3_666 ?
S11 Ag4 Ag5 97.14(2) . 3_666 ?
S3 Ag4 Ag5 54.08(2) 3_666 3_666 ?
S13 Ag4 Ag5 97.773(19) 3_666 3_666 ?
Pd1 Ag4 Ag5 57.825(7) . 3_666 ?
S10 Ag4 Ag1 70.14(2) . 3_666 ?
S11 Ag4 Ag1 147.51(2) . 3_666 ?
S3 Ag4 Ag1 121.57(2) 3_666 3_666 ?
S13 Ag4 Ag1 54.033(18) 3_666 3_666 ?
Pd1 Ag4 Ag1 56.515(7) . 3_666 ?
Ag5 Ag4 Ag1 106.793(11) 3_666 3_666 ?
S10 Ag4 Ag3 151.01(2) . . ?
S11 Ag4 Ag3 68.82(2) . . ?
S3 Ag4 Ag3 107.40(2) 3_666 . ?
S13 Ag4 Ag3 54.958(18) 3_666 . ?
Pd1 Ag4 Ag3 57.126(7) . . ?
Ag5 Ag4 Ag3 60.792(9) 3_666 . ?
Ag1 Ag4 Ag3 104.003(11) 3_666 . ?
S10 Ag4 Ag2 93.99(2) . 3_666 ?
S11 Ag4 Ag2 154.37(2) . 3_666 ?
S3 Ag4 Ag2 66.46(2) 3_666 3_666 ?
S13 Ag4 Ag2 94.860(19) 3_666 3_666 ?
Pd1 Ag4 Ag2 56.073(7) . 3_666 ?
Ag5 Ag4 Ag2 61.109(9) 3_666 3_666 ?
Ag1 Ag4 Ag2 57.762(9) 3_666 3_666 ?
Ag3 Ag4 Ag2 106.892(10) . 3_666 ?
S10 Ag4 Ag8 93.88(2) . . ?
S11 Ag4 Ag8 49.91(2) . . ?
S3 Ag4 Ag8 139.77(2) 3_666 . ?
S13 Ag4 Ag8 55.486(18) 3_666 . ?
Pd1 Ag4 Ag8 96.889(10) . . ?
Ag5 Ag4 Ag8 117.722(11) 3_666 . ?
Ag1 Ag4 Ag8 98.655(11) 3_666 . ?
Ag3 Ag4 Ag8 58.213(9) . . ?
Ag2 Ag4 Ag8 150.346(12) 3_666 . ?
S12 Ag5 S3 98.60(3) 3_666 . ?
S12 Ag5 S5B 90.81(18) 3_666 . ?
S3 Ag5 S5B 91.41(15) . . ?
S12 Ag5 S5 85.05(4) 3_666 . ?
S3 Ag5 S5 98.26(4) . . ?
S12 Ag5 S13 138.13(3) 3_666 3_666 ?
S3 Ag5 S13 121.62(3) . 3_666 ?
S5B Ag5 S13 98.7(2) . 3_666 ?
S5 Ag5 S13 98.99(4) . 3_666 ?
S12 Ag5 Pd1 110.24(2) 3_666 . ?
S3 Ag5 Pd1 110.79(2) . . ?
S5B Ag5 Pd1 145.78(19) . . ?
S5 Ag5 Pd1 143.91(4) . . ?
S13 Ag5 Pd1 47.675(17) 3_666 . ?
S12 Ag5 Ag4 90.22(2) 3_666 3_666 ?
S3 Ag5 Ag4 58.43(2) . 3_666 ?
S5 Ag5 Ag4 155.27(3) . 3_666 ?
S13 Ag5 Ag4 100.656(19) 3_666 3_666 ?
Pd1 Ag5 Ag4 60.039(7) . 3_666 ?
S12 Ag5 Ag1 83.49(2) 3_666 3_666 ?
S3 Ag5 Ag1 167.65(2) . 3_666 ?
S5 Ag5 Ag1 94.04(3) . 3_666 ?
S13 Ag5 Ag1 54.720(18) 3_666 3_666 ?
Pd1 Ag5 Ag1 57.434(7) . 3_666 ?
Ag4 Ag5 Ag1 109.553(11) 3_666 3_666 ?
S12 Ag5 Ag6 138.67(2) 3_666 . ?
S3 Ag5 Ag6 90.13(2) . . ?
S5B Ag5 Ag6 48.43(19) . . ?
S5 Ag5 Ag6 53.67(4) . . ?
S13 Ag5 Ag6 58.862(18) 3_666 . ?
Pd1 Ag5 Ag6 103.930(10) . . ?
Ag4 Ag5 Ag6 127.593(12) 3_666 . ?
Ag1 Ag5 Ag6 96.317(11) 3_666 . ?
S12 Ag5 Ag3 52.95(2) 3_666 3_666 ?
S3 Ag5 Ag3 110.71(2) . 3_666 ?
S5 Ag5 Ag3 130.97(3) . 3_666 ?
S13 Ag5 Ag3 98.187(19) 3_666 3_666 ?
Pd1 Ag5 Ag3 57.620(7) . 3_666 ?
Ag4 Ag5 Ag3 60.327(9) 3_666 3_666 ?
Ag1 Ag5 Ag3 60.921(9) 3_666 3_666 ?
Ag6 Ag5 Ag3 155.595(12) . 3_666 ?
S12 Ag5 Ag2 151.40(2) 3_666 . ?
S3 Ag5 Ag2 68.01(2) . . ?
S5B Ag5 Ag2 113.88(17) . . ?
S5 Ag5 Ag2 120.92(3) . . ?
S13 Ag5 Ag2 55.295(18) 3_666 . ?
Pd1 Ag5 Ag2 56.708(7) . . ?
Ag4 Ag5 Ag2 61.179(9) 3_666 . ?
Ag1 Ag5 Ag2 104.570(10) 3_666 . ?
Ag6 Ag5 Ag2 68.664(10) . . ?
Ag3 Ag5 Ag2 106.595(10) 3_666 . ?
S5B Ag6 S4 119.05(18) . . ?
S5B Ag6 S7 103.5(2) . . ?
S4 Ag6 S7 125.11(4) . . ?
S4 Ag6 S5 125.18(4) . . ?
S7 Ag6 S5 100.65(5) . . ?
S5B Ag6 S13 105.2(2) . 3_666 ?
S4 Ag6 S13 96.74(3) . 3_666 ?
S7 Ag6 S13 104.18(3) . 3_666 ?
S5 Ag6 S13 99.63(4) . 3_666 ?
S5B Ag6 Ag5 58.8(2) . . ?
S4 Ag6 Ag5 92.35(2) . . ?
S7 Ag6 Ag5 141.13(3) . . ?
S5 Ag6 Ag5 57.11(4) . . ?
S13 Ag6 Ag5 56.282(18) 3_666 . ?
S5B Ag6 Ag7 93.65(17) . . ?
S4 Ag6 Ag7 144.49(3) . . ?
S7 Ag6 Ag7 50.63(3) . . ?
S5 Ag6 Ag7 86.67(3) . . ?
S13 Ag6 Ag7 58.880(18) 3_666 . ?
Ag5 Ag6 Ag7 93.528(12) . . ?
S6B Ag7 S9 130.74(17) . . ?
S9 Ag7 S6 122.84(4) . . ?
S6B Ag7 S7 112.06(15) . . ?
S9 Ag7 S7 110.89(3) . . ?
S6 Ag7 S7 121.18(4) . . ?
S6B Ag7 Ag8 141.2(2) . . ?
S9 Ag7 Ag8 54.00(2) . . ?
S6 Ag7 Ag8 134.74(4) . . ?
S7 Ag7 Ag8 94.89(3) . . ?
S6B Ag7 Ag6 90.53(18) . . ?
S9 Ag7 Ag6 136.28(3) . . ?
S6 Ag7 Ag6 96.65(4) . . ?
S7 Ag7 Ag6 50.47(2) . . ?
Ag8 Ag7 Ag6 85.659(12) . . ?
S8 Ag8 S11 139.08(4) . . ?
S8 Ag8 S9 107.27(4) . . ?
S11 Ag8 S9 96.33(3) . . ?
S8 Ag8 S13 100.14(3) . 3_666 ?
S11 Ag8 S13 105.66(3) . 3_666 ?
S9 Ag8 S13 104.70(3) . 3_666 ?
S8 Ag8 Ag3 101.03(3) . . ?
S11 Ag8 Ag3 70.60(2) . . ?
S9 Ag8 Ag3 147.88(2) . . ?
S13 Ag8 Ag3 54.617(18) 3_666 . ?
S8 Ag8 Ag7 92.02(3) . . ?
S11 Ag8 Ag7 128.36(2) . . ?
S9 Ag8 Ag7 50.51(2) . . ?
S13 Ag8 Ag7 60.071(18) 3_666 . ?
Ag3 Ag8 Ag7 114.633(13) . . ?
S8 Ag8 Ag4 153.07(3) . . ?
S11 Ag8 Ag4 54.58(2) . . ?
S9 Ag8 Ag4 90.49(2) . . ?
S13 Ag8 Ag4 54.868(18) 3_666 . ?
Ag3 Ag8 Ag4 57.807(9) . . ?
Ag7 Ag8 Ag4 83.741(11) . . ?
S13 Pd1 S13 180.00(4) 3_666 . ?
S13 Pd1 Ag1 61.76(2) 3_666 3_666 ?
S13 Pd1 Ag1 118.24(2) . 3_666 ?
S13 Pd1 Ag1 118.24(2) 3_666 . ?
S13 Pd1 Ag1 61.76(2) . . ?
Ag1 Pd1 Ag1 180.0 3_666 . ?
S13 Pd1 Ag2 63.56(2) 3_666 . ?
S13 Pd1 Ag2 116.44(2) . . ?
Ag1 Pd1 Ag2 116.970(9) 3_666 . ?
Ag1 Pd1 Ag2 63.030(9) . . ?
S13 Pd1 Ag2 116.44(2) 3_666 3_666 ?
S13 Pd1 Ag2 63.56(2) . 3_666 ?
Ag1 Pd1 Ag2 63.028(9) 3_666 3_666 ?
Ag1 Pd1 Ag2 116.972(9) . 3_666 ?
Ag2 Pd1 Ag2 180.0 . 3_666 ?
S13 Pd1 Ag3 117.54(2) 3_666 3_666 ?
S13 Pd1 Ag3 62.46(2) . 3_666 ?
Ag1 Pd1 Ag3 65.434(8) 3_666 3_666 ?
Ag1 Pd1 Ag3 114.566(8) . 3_666 ?
Ag2 Pd1 Ag3 119.934(8) . 3_666 ?
Ag2 Pd1 Ag3 60.066(8) 3_666 3_666 ?
S13 Pd1 Ag3 62.46(2) 3_666 . ?
S13 Pd1 Ag3 117.54(2) . . ?
Ag1 Pd1 Ag3 114.565(8) 3_666 . ?
Ag1 Pd1 Ag3 65.435(8) . . ?
Ag2 Pd1 Ag3 60.066(8) . . ?
Ag2 Pd1 Ag3 119.934(8) 3_666 . ?
Ag3 Pd1 Ag3 180.0 3_666 . ?
S13 Pd1 Ag5 116.15(2) 3_666 3_666 ?
S13 Pd1 Ag5 63.85(2) . 3_666 ?
Ag1 Pd1 Ag5 116.291(8) 3_666 3_666 ?
Ag1 Pd1 Ag5 63.709(8) . 3_666 ?
Ag2 Pd1 Ag5 114.195(8) . 3_666 ?
Ag2 Pd1 Ag5 65.806(8) 3_666 3_666 ?
Ag3 Pd1 Ag5 115.541(8) 3_666 3_666 ?
Ag3 Pd1 Ag5 64.459(8) . 3_666 ?
S13 Pd1 Ag5 63.85(2) 3_666 . ?
S13 Pd1 Ag5 116.15(2) . . ?
Ag1 Pd1 Ag5 63.710(8) 3_666 . ?
Ag1 Pd1 Ag5 116.290(8) . . ?
Ag2 Pd1 Ag5 65.805(8) . . ?
Ag2 Pd1 Ag5 114.194(8) 3_666 . ?
Ag3 Pd1 Ag5 64.458(8) 3_666 . ?
Ag3 Pd1 Ag5 115.541(8) . . ?
Ag5 Pd1 Ag5 180.0 3_666 . ?
S13 Pd1 Ag4 63.92(2) 3_666 . ?
S13 Pd1 Ag4 116.08(2) . . ?
Ag1 Pd1 Ag4 63.380(8) 3_666 . ?
Ag1 Pd1 Ag4 116.620(8) . . ?
Ag2 Pd1 Ag4 115.031(8) . . ?
Ag2 Pd1 Ag4 64.968(8) 3_666 . ?
Ag3 Pd1 Ag4 116.723(7) 3_666 . ?
Ag3 Pd1 Ag4 63.277(7) . . ?
Ag5 Pd1 Ag4 62.135(8) 3_666 . ?
Ag5 Pd1 Ag4 117.867(8) . . ?
S13 Pd1 Ag4 116.08(2) 3_666 3_666 ?
S13 Pd1 Ag4 63.92(2) . 3_666 ?
Ag1 Pd1 Ag4 116.622(8) 3_666 3_666 ?
Ag1 Pd1 Ag4 63.378(8) . 3_666 ?
Ag2 Pd1 Ag4 64.969(8) . 3_666 ?
Ag2 Pd1 Ag4 115.032(8) 3_666 3_666 ?
Ag3 Pd1 Ag4 63.278(7) 3_666 3_666 ?
Ag3 Pd1 Ag4 116.723(7) . 3_666 ?
Ag5 Pd1 Ag4 117.864(8) 3_666 3_666 ?
Ag5 Pd1 Ag4 62.135(8) . 3_666 ?
Ag4 Pd1 Ag4 180.0 . 3_666 ?
P1 S1 Ag1 110.97(5) . . ?
P1 S1 Ag2 95.34(5) . . ?
Ag1 S1 Ag2 70.89(2) . . ?
P1 S2 Ag3 97.54(5) . . ?
P2 S3 Ag5 111.77(5) . . ?
P2 S3 Ag4 126.00(5) . 3_666 ?
Ag5 S3 Ag4 67.50(2) . 3_666 ?
P2 S4 Ag6 106.60(5) . . ?
P2 S4 Ag2 86.58(4) . . ?
Ag6 S4 Ag2 85.27(3) . . ?
P3 S5 Ag6 110.57(8) . . ?
P3 S5 Ag5 110.53(8) . . ?
Ag6 S5 Ag5 69.22(4) . . ?
P3 S6 Ag7 98.15(8) . . ?
P3 S6 Ag1 113.57(8) . 3_666 ?
Ag7 S6 Ag1 90.12(6) . 3_666 ?
P3B S5B Ag6 104.0(4) . . ?
P3B S5B Ag5 110.6(4) . . ?
Ag6 S5B Ag5 72.7(2) . . ?
P3B S6B Ag7 97.2(4) . . ?
Ag7 S6B Ag1 85.4(3) . 3_666 ?
P4 S7 Ag6 107.68(6) . . ?
P4 S7 Ag7 102.79(5) . . ?
Ag6 S7 Ag7 78.90(3) . . ?
P4 S8 Ag8 107.12(6) . . ?
P5 S9 Ag7 104.56(5) . . ?
P5 S9 Ag8 110.68(5) . . ?
Ag7 S9 Ag8 75.49(3) . . ?
P5 S10 Ag4 108.15(4) . . ?
P6 S11 Ag8 118.29(5) . . ?
P6 S11 Ag4 110.23(5) . . ?
Ag8 S11 Ag4 75.50(3) . . ?
P6 S12 Ag3 87.23(4) . . ?
P6 S12 Ag5 117.31(5) . 3_666 ?
Ag3 S12 Ag5 72.31(2) . 3_666 ?
Pd1 S13 Ag1 69.24(2) . . ?
Pd1 S13 Ag3 69.30(2) . 3_666 ?
Ag1 S13 Ag3 125.82(3) . 3_666 ?
Pd1 S13 Ag2 68.29(2) . 3_666 ?
Ag1 S13 Ag2 126.89(3) . 3_666 ?
Ag3 S13 Ag2 63.15(2) 3_666 3_666 ?
Pd1 S13 Ag5 68.48(2) . 3_666 ?
Ag1 S13 Ag5 67.18(2) . 3_666 ?
Ag3 S13 Ag5 124.38(3) 3_666 3_666 ?
Ag2 S13 Ag5 68.57(2) 3_666 3_666 ?
Pd1 S13 Ag4 69.44(2) . 3_666 ?
Ag1 S13 Ag4 67.04(2) . 3_666 ?
Ag3 S13 Ag4 66.73(2) 3_666 3_666 ?
Ag2 S13 Ag4 122.65(3) 3_666 3_666 ?
Ag5 S13 Ag4 125.84(3) 3_666 3_666 ?
Pd1 S13 Ag8 128.59(3) . 3_666 ?
Ag1 S13 Ag8 119.33(3) . 3_666 ?
Ag3 S13 Ag8 66.76(2) 3_666 3_666 ?
Ag2 S13 Ag8 111.73(3) 3_666 3_666 ?
Ag5 S13 Ag8 162.53(3) 3_666 3_666 ?
Ag4 S13 Ag8 69.65(2) 3_666 3_666 ?
Pd1 S13 Ag6 128.89(3) . 3_666 ?
Ag1 S13 Ag6 108.86(3) . 3_666 ?
Ag3 S13 Ag6 124.10(3) 3_666 3_666 ?
Ag2 S13 Ag6 76.21(2) 3_666 3_666 ?
Ag5 S13 Ag6 64.85(2) 3_666 3_666 ?
Ag4 S13 Ag6 159.85(3) 3_666 3_666 ?
Ag8 S13 Ag6 97.92(3) 3_666 3_666 ?
O2 P1 O1 99.81(16) . . ?
O2 P1 S2 114.07(12) . . ?
O1 P1 S2 111.57(14) . . ?
O2 P1 S1 106.42(13) . . ?
O1 P1 S1 107.46(12) . . ?
S2 P1 S1 116.08(6) . . ?
O3 P2 O4 101.70(16) . . ?
O3 P2 S4 104.34(12) . . ?
O4 P2 S4 111.38(12) . . ?
O3 P2 S3 111.95(12) . . ?
O4 P2 S3 108.65(12) . . ?
S4 P2 S3 117.64(6) . . ?
O6 P3 O5 106.9(2) . . ?
O6 P3 S5 110.46(15) . . ?
O5 P3 S5 105.19(16) . . ?
O6 P3 S6 104.30(15) . . ?
O5 P3 S6 110.20(15) . . ?
S5 P3 S6 119.27(10) . . ?
O6B P3B O5B 97.3(9) . . ?
O6B P3B S6B 110.3(7) . . ?
O5B P3B S6B 111.0(7) . . ?
O6B P3B S5B 111.3(6) . . ?
O5B P3B S5B 106.5(7) . . ?
S6B P3B S5B 118.3(5) . . ?
O8 P4 O7 100.97(16) . . ?
O8 P4 S8 110.09(13) . . ?
O7 P4 S8 109.67(16) . . ?
O8 P4 S7 109.36(14) . . ?
O7 P4 S7 106.73(14) . . ?
S8 P4 S7 118.53(6) . . ?
O10 P5 O9 101.33(15) . . ?
O10 P5 S10 113.60(12) . . ?
O9 P5 S10 108.39(12) . . ?
O10 P5 S9 103.94(11) . . ?
O9 P5 S9 108.65(12) . . ?
S10 P5 S9 119.37(6) . . ?
O12 P6 O11 99.84(19) . . ?
O12 P6 S12 111.23(13) . . ?
O11 P6 S12 103.66(12) . . ?
O12 P6 S11 109.41(15) . . ?
O11 P6 S11 112.52(13) . . ?
S12 P6 S11 118.50(6) . . ?
C1 O1 P1 123.6(3) . . ?
C4B O2 P1 129.7(5) . . ?
C4 O2 P1 117.3(4) . . ?
C7 O3 P2 125.0(3) . . ?
C10 O4 P2 122.6(2) . . ?
C13 O5 P3 124.1(4) . . ?
C16 O6 P3 127.7(4) . . ?
C13B O5B P3B 125.9(14) . . ?
C16B O6B P3B 156.0(18) . . ?
C19 O7 P4 121.0(3) . . ?
C22 O8 P4 122.7(3) . . ?
C25 O9 P5 120.8(2) . . ?
C28 O10 P5 123.1(3) . . ?
C31 O11 P6 124.5(3) . . ?
C34 O12 P6 125.0(7) . . ?
C34B O12 P6 125.8(12) . . ?
O1 C1 C2 109.1(4) . . ?
O1 C1 C3 105.9(5) . . ?
C2 C1 C3 112.2(5) . . ?
O2 C4 C6 99.2(8) . . ?
O2 C4 C5 114.5(7) . . ?
C6 C4 C5 113.3(11) . . ?
O2 C4B C5B 111.6(7) . . ?
O2 C4B C6B 108.4(10) . . ?
C5B C4B C6B 111.9(9) . . ?
O3 C7 C9 105.6(4) . . ?
O3 C7 C8 109.7(4) . . ?
C9 C7 C8 113.4(4) . . ?
O4 C10 C11 108.6(4) . . ?
O4 C10 C12 106.0(4) . . ?
C11 C10 C12 113.0(4) . . ?
C15 C13 O5 110.6(6) . . ?
C15 C13 C14 114.3(7) . . ?
O5 C13 C14 106.5(5) . . ?
O6 C16 C17 106.6(6) . . ?
O6 C16 C18 109.9(7) . . ?
C17 C16 C18 112.6(7) . . ?
C15B C13B O5B 110(2) . . ?
C15B C13B C14B 114(3) . . ?
O5B C13B C14B 105.4(18) . . ?
O6B C16B C18B 113(3) . . ?
O6B C16B C17B 113(3) . . ?
C18B C16B C17B 128(3) . . ?
O7 C19 C21 107.4(4) . . ?
O7 C19 C20 107.0(4) . . ?
C21 C19 C20 114.4(5) . . ?
C23 C22 O8 108.7(5) . . ?
C23 C22 C24 108.0(6) . . ?
O8 C22 C24 104.5(6) . . ?
O9 C25 C27 109.2(4) . . ?
O9 C25 C26 106.4(4) . . ?
C27 C25 C26 112.3(4) . . ?
C30 C28 O10 114.6(4) . . ?
C30 C28 C29 113.0(5) . . ?
O10 C28 C29 106.3(4) . . ?
O11 C31 C32 106.5(3) . . ?
O11 C31 C33 106.1(4) . . ?
C32 C31 C33 113.9(4) . . ?
O12 C34 C36 114.9(8) . . ?
O12 C34 C35 108.0(9) . . ?
C36 C34 C35 112.3(9) . . ?
O12 C34B C36B 102.1(15) . . ?
O12 C34B C35B 102.4(12) . . ?
C36B C34B C35B 118(2) . . ?
Cl1 C37 Cl2 114.5(4) . . ?
Cl2 C37 Cl1B 104.7(5) . . ?

_refine_diff_density_max         2.571
_refine_diff_density_min         -2.000
_refine_diff_density_rms         0.138

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

data_1b
_database_code_depnum_ccdc_archive 'CCDC 2379721'
loop_
_audit_author_name
_audit_author_address
'Chen-Wei Liu'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2024-08-26 deposited with the CCDC.	2024-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H216 Ag16 O24 P12 Pd S26'
_chemical_formula_weight         4792.19

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   26.454(3)
_cell_length_b                   27.073(3)
_cell_length_c                   23.350(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16723(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9235
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.06

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_F_000             9512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    2.423
_shelx_estimated_absorpt_T_min   0.713
_shelx_estimated_absorpt_T_max   0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5529
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            138769
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.076
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14719
_reflns_number_gt                13322
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+518.3701P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14719
_refine_ls_number_parameters     831
_refine_ls_number_restraints     323
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0806
_refine_ls_wR_factor_ref         0.1700
_refine_ls_wR_factor_gt          0.1645
_refine_ls_goodness_of_fit_ref   1.357
_refine_ls_restrained_S_all      1.346
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.58552(4) 0.55112(4) 0.54740(4) 0.0243(2) Uani 1 1 d . . . . .
Ag2 Ag 0.55085(3) 0.45416(3) 0.59352(4) 0.0192(2) Uani 1 1 d . . . . .
Ag3 Ag 0.43905(4) 0.43701(4) 0.57801(4) 0.0242(2) Uani 1 1 d . . . . .
Ag4 Ag 0.51213(4) 0.39536(3) 0.49292(4) 0.0261(2) Uani 1 1 d . . . . .
Ag5 Ag 0.40115(4) 0.54155(4) 0.52890(4) 0.0291(2) Uani 1 1 d . . . . .
Ag6 Ag 0.51395(4) 0.61152(4) 0.64591(4) 0.0249(2) Uani 1 1 d . . . . .
Ag7 Ag 0.49095(4) 0.50941(4) 0.72031(4) 0.0259(2) Uani 1 1 d . . . . .
Ag8 Ag 0.38829(4) 0.51402(4) 0.65493(4) 0.0303(2) Uani 1 1 d . . . . .
Pd1 Pd 0.5000 0.5000 0.5000 0.0137(2) Uani 1 2 d S . P . .
S0 S 0.48113(10) 0.52811(11) 0.59032(12) 0.0171(6) Uani 1 1 d . . . . .
S1 S 0.49742(11) 0.68144(12) 0.57707(13) 0.0224(6) Uani 1 1 d . . . . .
S2 S 0.59627(12) 0.63715(11) 0.49625(13) 0.0226(6) Uani 1 1 d . . . . .
S3 S 0.48672(12) 0.60003(12) 0.74879(13) 0.0256(7) Uani 1 1 d . . . . .
S4 S 0.36806(13) 0.59897(13) 0.68822(14) 0.0291(7) Uani 1 1 d . . . . .
S5 S 0.60945(12) 0.58726(12) 0.64608(14) 0.0253(7) Uani 1 1 d . . . . .
S6 S 0.57491(11) 0.47077(11) 0.70009(13) 0.0206(6) Uani 1 1 d . . . . .
S7 S 0.56740(13) 0.36203(12) 0.57725(13) 0.0276(7) Uani 1 1 d . . . . .
S8 S 0.63178(13) 0.36903(14) 0.45104(14) 0.0323(8) Uani 1 1 d . . . . .
S9 S 0.41090(13) 0.46340(12) 0.74615(13) 0.0277(7) Uani 1 1 d . . . . .
S10 S 0.47503(13) 0.38226(12) 0.65946(13) 0.0253(7) Uani 1 1 d . . . . .
S11 S 0.33968(12) 0.44707(13) 0.60018(16) 0.0331(8) Uani 1 1 d . . . . .
S12 S 0.33124(17) 0.50242(18) 0.46951(19) 0.0565(13) Uani 1 1 d . . . . .
P1 P 0.56557(12) 0.69251(11) 0.54181(13) 0.0197(6) Uani 1 1 d . . . . .
P2 P 0.41133(13) 0.60972(13) 0.75569(14) 0.0257(7) Uani 1 1 d . . . . .
P3 P 0.62011(12) 0.53059(13) 0.69981(14) 0.0242(7) Uani 1 1 d . . . . .
P4 P 0.63086(14) 0.34970(14) 0.53234(15) 0.0327(9) Uani 1 1 d . . . . .
P5 P 0.42460(13) 0.39370(13) 0.72042(14) 0.0254(7) Uani 1 1 d . . . . .
P6 P 0.29723(16) 0.4720(2) 0.5364(2) 0.0602(15) Uani 1 1 d . . . . .
O1 O 0.6063(3) 0.7085(3) 0.5875(3) 0.0244(19) Uani 1 1 d . U . . .
O2 O 0.5624(3) 0.7399(3) 0.5027(4) 0.0255(19) Uani 1 1 d . U . . .
O3 O 0.4020(4) 0.6634(4) 0.7808(4) 0.035(2) Uani 1 1 d . U . . .
O4 O 0.3911(4) 0.5770(4) 0.8073(4) 0.035(2) Uani 1 1 d . U . . .
O5 O 0.6739(4) 0.5066(4) 0.6895(4) 0.036(2) Uani 1 1 d . U . . .
O6 O 0.6186(4) 0.5573(4) 0.7597(4) 0.044(3) Uani 1 1 d . U . . .
O7 O 0.6780(4) 0.3743(4) 0.5635(4) 0.039(2) Uani 1 1 d . U . . .
O8 O 0.6360(5) 0.2908(4) 0.5408(5) 0.057(3) Uani 1 1 d . U . . .
O9 O 0.4387(4) 0.3618(4) 0.7755(4) 0.038(2) Uani 1 1 d . U . . .
O10 O 0.3719(4) 0.3705(4) 0.7049(4) 0.034(2) Uani 1 1 d . U . . .
O11 O 0.2532(5) 0.5062(6) 0.5604(7) 0.086(5) Uani 1 1 d . U . . .
O12 O 0.2569(9) 0.4300(9) 0.5258(10) 0.058(4) Uani 0.5 1 d D U P A 1
O12B O 0.2743(9) 0.4329(10) 0.4897(10) 0.058(4) Uani 0.5 1 d D U P A 2
C1 C 0.6012(6) 0.7553(5) 0.6187(6) 0.035(3) Uani 1 1 d . U . . .
H1A H 0.5651 0.7650 0.6196 0.042 Uiso 1 1 calc R U . . .
H1B H 0.6201 0.7814 0.5982 0.042 Uiso 1 1 calc R U . . .
C2 C 0.6208(6) 0.7510(6) 0.6790(6) 0.037(3) Uani 1 1 d . U . . .
H2 H 0.6207 0.7847 0.6965 0.045 Uiso 1 1 calc R U . . .
C3 C 0.6747(7) 0.7318(7) 0.6788(8) 0.059(4) Uani 1 1 d . U . . .
H3A H 0.6751 0.6978 0.6642 0.089 Uiso 1 1 calc R U . . .
H3B H 0.6882 0.7323 0.7179 0.089 Uiso 1 1 calc R U . . .
H3C H 0.6956 0.7527 0.6541 0.089 Uiso 1 1 calc R U . . .
C4 C 0.5871(7) 0.7178(6) 0.7148(7) 0.052(4) Uani 1 1 d . U . . .
H4A H 0.5524 0.7304 0.7141 0.079 Uiso 1 1 calc R U . . .
H4B H 0.5994 0.7173 0.7544 0.079 Uiso 1 1 calc R U . . .
H4C H 0.5878 0.6842 0.6992 0.079 Uiso 1 1 calc R U . . .
C5 C 0.5287(5) 0.7395(5) 0.4526(6) 0.030(3) Uani 1 1 d . U . . .
H5A H 0.4930 0.7374 0.4653 0.036 Uiso 1 1 calc R U . . .
H5B H 0.5362 0.7104 0.4284 0.036 Uiso 1 1 calc R U . . .
C6 C 0.5368(7) 0.7864(6) 0.4188(6) 0.044(3) Uani 1 1 d . U . . .
H6 H 0.5733 0.7877 0.4074 0.053 Uiso 1 1 calc R U . . .
C7 C 0.5255(8) 0.8324(6) 0.4533(8) 0.062(5) Uani 1 1 d . U . . .
H7A H 0.4902 0.8317 0.4659 0.093 Uiso 1 1 calc R U . . .
H7B H 0.5312 0.8617 0.4296 0.093 Uiso 1 1 calc R U . . .
H7C H 0.5478 0.8335 0.4869 0.093 Uiso 1 1 calc R U . . .
C8 C 0.5054(7) 0.7827(6) 0.3641(7) 0.054(4) Uani 1 1 d . U . . .
H8A H 0.4698 0.7774 0.3741 0.080 Uiso 1 1 calc R U . . .
H8B H 0.5175 0.7549 0.3409 0.080 Uiso 1 1 calc R U . . .
H8C H 0.5087 0.8134 0.3421 0.080 Uiso 1 1 calc R U . . .
C9 C 0.4153(6) 0.7074(6) 0.7495(8) 0.047(4) Uani 1 1 d . U . . .
H9A H 0.4102 0.7022 0.7079 0.057 Uiso 1 1 calc R U . . .
H9B H 0.4513 0.7158 0.7561 0.057 Uiso 1 1 calc R U . . .
C10 C 0.3809(7) 0.7494(7) 0.7712(10) 0.063(4) Uani 1 1 d . U . . .
H10 H 0.3802 0.7488 0.8141 0.075 Uiso 1 1 calc R U . . .
C11 C 0.4029(9) 0.7971(7) 0.7515(12) 0.089(7) Uani 1 1 d . U . . .
H11A H 0.4014 0.7988 0.7096 0.133 Uiso 1 1 calc R U . . .
H11B H 0.4382 0.7994 0.7641 0.133 Uiso 1 1 calc R U . . .
H11C H 0.3836 0.8246 0.7679 0.133 Uiso 1 1 calc R U . . .
C12 C 0.3272(8) 0.7407(8) 0.7484(12) 0.085(7) Uani 1 1 d . U . . .
H12A H 0.3043 0.7657 0.7641 0.128 Uiso 1 1 calc R U . . .
H12B H 0.3156 0.7078 0.7599 0.128 Uiso 1 1 calc R U . . .
H12C H 0.3273 0.7429 0.7065 0.128 Uiso 1 1 calc R U . . .
C13 C 0.4165(6) 0.5788(7) 0.8634(6) 0.046(4) Uani 1 1 d . U . . .
H13A H 0.4533 0.5832 0.8577 0.055 Uiso 1 1 calc R U . . .
H13B H 0.4037 0.6073 0.8855 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4072(9) 0.5331(8) 0.8953(7) 0.067(5) Uani 1 1 d . U . . .
H14 H 0.4221 0.5053 0.8727 0.080 Uiso 1 1 calc R U . . .
C15 C 0.4360(8) 0.5361(8) 0.9523(7) 0.069(5) Uani 1 1 d . U . . .
H15A H 0.4719 0.5422 0.9447 0.103 Uiso 1 1 calc R U . . .
H15B H 0.4321 0.5049 0.9731 0.103 Uiso 1 1 calc R U . . .
H15C H 0.4222 0.5632 0.9754 0.103 Uiso 1 1 calc R U . . .
C16 C 0.3528(10) 0.5221(12) 0.9036(10) 0.107(9) Uani 1 1 d . U . . .
H16A H 0.3359 0.5209 0.8663 0.160 Uiso 1 1 calc R U . . .
H16B H 0.3374 0.5480 0.9272 0.160 Uiso 1 1 calc R U . . .
H16C H 0.3492 0.4902 0.9229 0.160 Uiso 1 1 calc R U . . .
C17 C 0.7176(5) 0.5348(6) 0.6688(6) 0.036(3) Uani 1 1 d . U . . .
H17A H 0.7061 0.5588 0.6396 0.043 Uiso 1 1 calc R U . . .
H17B H 0.7416 0.5118 0.6501 0.043 Uiso 1 1 calc R U . . .
C18 C 0.7448(6) 0.5623(6) 0.7162(6) 0.042(3) Uani 1 1 d . U . . .
H18 H 0.7201 0.5846 0.7358 0.051 Uiso 1 1 calc R U . . .
C19 C 0.7662(7) 0.5271(7) 0.7597(7) 0.057(4) Uani 1 1 d . U . . .
H19A H 0.7392 0.5058 0.7743 0.086 Uiso 1 1 calc R U . . .
H19B H 0.7811 0.5458 0.7914 0.086 Uiso 1 1 calc R U . . .
H19C H 0.7923 0.5067 0.7416 0.086 Uiso 1 1 calc R U . . .
C20 C 0.7859(6) 0.5942(7) 0.6877(7) 0.046(4) Uani 1 1 d . U . . .
H20A H 0.8048 0.6121 0.7172 0.069 Uiso 1 1 calc R U . . .
H20B H 0.7699 0.6179 0.6616 0.069 Uiso 1 1 calc R U . . .
H20C H 0.8090 0.5729 0.6661 0.069 Uiso 1 1 calc R U . . .
C21 C 0.6174(8) 0.5319(6) 0.8136(6) 0.050(4) Uani 1 1 d . U . . .
H21A H 0.6500 0.5150 0.8204 0.060 Uiso 1 1 calc R U . . .
H21B H 0.5901 0.5068 0.8135 0.060 Uiso 1 1 calc R U . . .
C22 C 0.6079(7) 0.5696(6) 0.8595(6) 0.043(3) Uani 1 1 d . U . . .
H22 H 0.5738 0.5839 0.8512 0.051 Uiso 1 1 calc R U . . .
C23 C 0.6437(8) 0.6118(7) 0.8600(8) 0.061(5) Uani 1 1 d . U . . .
H23A H 0.6326 0.6361 0.8885 0.091 Uiso 1 1 calc R U . . .
H23B H 0.6444 0.6272 0.8221 0.091 Uiso 1 1 calc R U . . .
H23C H 0.6776 0.5999 0.8699 0.091 Uiso 1 1 calc R U . . .
C24 C 0.6035(9) 0.5449(7) 0.9167(7) 0.069(6) Uani 1 1 d . U . . .
H24A H 0.6370 0.5338 0.9291 0.103 Uiso 1 1 calc R U . . .
H24B H 0.5808 0.5164 0.9136 0.103 Uiso 1 1 calc R U . . .
H24C H 0.5899 0.5684 0.9446 0.103 Uiso 1 1 calc R U . . .
C25 C 0.6815(6) 0.3730(7) 0.6262(6) 0.047(4) Uani 1 1 d . U . . .
H25A H 0.6715 0.3401 0.6407 0.057 Uiso 1 1 calc R U . . .
H25B H 0.6587 0.3980 0.6432 0.057 Uiso 1 1 calc R U . . .
C26 C 0.7348(6) 0.3837(7) 0.6416(7) 0.047(4) Uani 1 1 d . U . . .
H26 H 0.7447 0.4157 0.6235 0.056 Uiso 1 1 calc R U . . .
C27 C 0.7698(7) 0.3445(8) 0.6205(8) 0.067(5) Uani 1 1 d . U . . .
H27A H 0.7571 0.3120 0.6322 0.100 Uiso 1 1 calc R U . . .
H27B H 0.8035 0.3497 0.6368 0.100 Uiso 1 1 calc R U . . .
H27C H 0.7717 0.3460 0.5786 0.100 Uiso 1 1 calc R U . . .
C28 C 0.7378(7) 0.3899(7) 0.7077(7) 0.053(4) Uani 1 1 d . U . . .
H28A H 0.7265 0.3594 0.7263 0.080 Uiso 1 1 calc R U . . .
H28B H 0.7160 0.4173 0.7196 0.080 Uiso 1 1 calc R U . . .
H28C H 0.7728 0.3968 0.7189 0.080 Uiso 1 1 calc R U . . .
C29 C 0.6762(8) 0.2624(7) 0.5183(9) 0.067(5) Uani 1 1 d . U . . .
H29A H 0.6983 0.2513 0.5500 0.081 Uiso 1 1 calc R U . . .
H29B H 0.6967 0.2833 0.4923 0.081 Uiso 1 1 calc R U . . .
C30 C 0.6564(9) 0.2168(7) 0.4850(10) 0.074(5) Uani 1 1 d . U . . .
H30 H 0.6861 0.1955 0.4752 0.089 Uiso 1 1 calc R U . . .
C31 C 0.6329(10) 0.2318(9) 0.4328(10) 0.090(6) Uani 1 1 d . U . . .
H31A H 0.6070 0.2568 0.4410 0.135 Uiso 1 1 calc R U . . .
H31B H 0.6170 0.2031 0.4145 0.135 Uiso 1 1 calc R U . . .
H31C H 0.6583 0.2458 0.4070 0.135 Uiso 1 1 calc R U . . .
C32 C 0.6206(9) 0.1868(8) 0.5251(10) 0.081(6) Uani 1 1 d . U . . .
H32A H 0.5878 0.2035 0.5275 0.121 Uiso 1 1 calc R U . . .
H32B H 0.6356 0.1846 0.5633 0.121 Uiso 1 1 calc R U . . .
H32C H 0.6159 0.1535 0.5095 0.121 Uiso 1 1 calc R U . . .
C33 C 0.4871(7) 0.3652(6) 0.8022(7) 0.053(4) Uani 1 1 d . U . . .
H33A H 0.5122 0.3755 0.7731 0.063 Uiso 1 1 calc R U . . .
H33B H 0.4969 0.3320 0.8160 0.063 Uiso 1 1 calc R U . . .
C34 C 0.4893(9) 0.4010(7) 0.8521(8) 0.070(4) Uani 1 1 d . U . . .
H34 H 0.4837 0.4348 0.8362 0.084 Uiso 1 1 calc R U . . .
C35 C 0.4464(10) 0.3907(8) 0.8940(9) 0.083(6) Uani 1 1 d . U . . .
H35A H 0.4517 0.3585 0.9122 0.125 Uiso 1 1 calc R U . . .
H35B H 0.4141 0.3904 0.8733 0.125 Uiso 1 1 calc R U . . .
H35C H 0.4456 0.4165 0.9233 0.125 Uiso 1 1 calc R U . . .
C36 C 0.5388(10) 0.4009(9) 0.8791(10) 0.095(7) Uani 1 1 d . U . . .
H36A H 0.5444 0.3690 0.8980 0.142 Uiso 1 1 calc R U . . .
H36B H 0.5404 0.4274 0.9076 0.142 Uiso 1 1 calc R U . . .
H36C H 0.5649 0.4061 0.8500 0.142 Uiso 1 1 calc R U . . .
C37 C 0.3683(6) 0.3216(5) 0.6768(7) 0.040(3) Uani 1 1 d . U . . .
H37A H 0.3674 0.2954 0.7064 0.048 Uiso 1 1 calc R U . . .
H37B H 0.3986 0.3161 0.6526 0.048 Uiso 1 1 calc R U . . .
C38 C 0.3220(6) 0.3183(6) 0.6406(7) 0.042(3) Uani 1 1 d . U . . .
H38 H 0.3239 0.3447 0.6109 0.050 Uiso 1 1 calc R U . . .
C39 C 0.3240(6) 0.2683(6) 0.6101(7) 0.046(4) Uani 1 1 d . U . . .
H39A H 0.3213 0.2417 0.6384 0.069 Uiso 1 1 calc R U . . .
H39B H 0.3561 0.2653 0.5895 0.069 Uiso 1 1 calc R U . . .
H39C H 0.2959 0.2660 0.5829 0.069 Uiso 1 1 calc R U . . .
C40 C 0.2749(6) 0.3251(8) 0.6727(9) 0.064(5) Uani 1 1 d . U . . .
H40A H 0.2735 0.3014 0.7044 0.096 Uiso 1 1 calc R U . . .
H40B H 0.2460 0.3198 0.6472 0.096 Uiso 1 1 calc R U . . .
H40C H 0.2736 0.3588 0.6881 0.096 Uiso 1 1 calc R U . . .
C41 C 0.2630(7) 0.5494(7) 0.5872(8) 0.058(4) Uani 1 1 d . U . . .
H41A H 0.2855 0.5698 0.5629 0.069 Uiso 1 1 calc R U . . .
H41B H 0.2808 0.5427 0.6237 0.069 Uiso 1 1 calc R U . . .
C42 C 0.2155(9) 0.5777(10) 0.5994(11) 0.102(7) Uani 1 1 d D U . . .
H42 H 0.1953 0.5577 0.6273 0.122 Uiso 1 1 calc R U . . .
C43 C 0.2284(8) 0.6242(9) 0.6279(9) 0.080(6) Uani 1 1 d . U . . .
H43A H 0.2480 0.6450 0.6016 0.121 Uiso 1 1 calc R U . . .
H43B H 0.2486 0.6173 0.6622 0.121 Uiso 1 1 calc R U . . .
H43C H 0.1974 0.6415 0.6389 0.121 Uiso 1 1 calc R U . . .
C44 C 0.1839(12) 0.5827(12) 0.5453(12) 0.154(14) Uani 1 1 d D U . . .
H44A H 0.2037 0.5996 0.5157 0.232 Uiso 1 1 calc R U . . .
H44B H 0.1534 0.6020 0.5537 0.232 Uiso 1 1 calc R U . . .
H44C H 0.1742 0.5498 0.5316 0.232 Uiso 1 1 calc R U . . .
C45 C 0.2686(11) 0.3879(11) 0.4922(15) 0.064(5) Uani 0.5 1 d D U P A 1
H45A H 0.2904 0.3659 0.5154 0.077 Uiso 0.5 1 calc R U P A 1
H45B H 0.2888 0.3990 0.4589 0.077 Uiso 0.5 1 calc R U P A 1
C46 C 0.2236(10) 0.3574(10) 0.4698(14) 0.063(5) Uani 0.5 1 d D U P A 1
H46 H 0.2142 0.3688 0.4305 0.075 Uiso 0.5 1 calc R U P A 1
C47 C 0.2510(13) 0.3067(13) 0.4659(16) 0.069(6) Uani 0.5 1 d D U P A 1
H47A H 0.2848 0.3095 0.4828 0.103 Uiso 0.5 1 calc R U P A 1
H47B H 0.2539 0.2968 0.4257 0.103 Uiso 0.5 1 calc R U P A 1
H47C H 0.2314 0.2818 0.4869 0.103 Uiso 0.5 1 calc R U P A 1
C48 C 0.1764(11) 0.3370(14) 0.5006(16) 0.071(6) Uani 0.5 1 d D U P A 1
H48A H 0.1852 0.3279 0.5399 0.106 Uiso 0.5 1 calc R U P A 1
H48B H 0.1639 0.3078 0.4802 0.106 Uiso 0.5 1 calc R U P A 1
H48C H 0.1500 0.3624 0.5012 0.106 Uiso 0.5 1 calc R U P A 1
C45B C 0.2418(12) 0.4020(12) 0.5201(12) 0.064(5) Uani 0.5 1 d D U P A 2
H45C H 0.2102 0.4208 0.5264 0.077 Uiso 0.5 1 calc R U P A 2
H45D H 0.2573 0.3969 0.5583 0.077 Uiso 0.5 1 calc R U P A 2
C46B C 0.2264(11) 0.3505(11) 0.4974(14) 0.063(5) Uani 0.5 1 d D U P A 2
H46B H 0.2235 0.3247 0.5280 0.075 Uiso 0.5 1 calc R U P A 2
C47B C 0.2644(15) 0.3366(16) 0.4480(15) 0.069(6) Uani 0.5 1 d D U P A 2
H47D H 0.2829 0.3662 0.4359 0.103 Uiso 0.5 1 calc R U P A 2
H47E H 0.2456 0.3232 0.4153 0.103 Uiso 0.5 1 calc R U P A 2
H47F H 0.2884 0.3118 0.4619 0.103 Uiso 0.5 1 calc R U P A 2
C48B C 0.1748(11) 0.3673(16) 0.4728(15) 0.071(6) Uani 0.5 1 d D U P A 2
H48D H 0.1605 0.3931 0.4973 0.106 Uiso 0.5 1 calc R U P A 2
H48E H 0.1517 0.3391 0.4714 0.106 Uiso 0.5 1 calc R U P A 2
H48F H 0.1797 0.3804 0.4340 0.106 Uiso 0.5 1 calc R U P A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S5 2.582(3) . ?
Ag1 S2 2.633(3) . ?
Ag1 S12 2.666(4) 5_666 ?
Ag1 Pd1 2.8738(9) . ?
Ag1 Ag2 2.9819(14) . ?
Ag1 Ag3 3.0165(14) 5_666 ?
Ag1 Ag5 3.0974(15) 5_666 ?
Ag1 Ag4 3.1077(14) 5_666 ?
Ag2 S7 2.561(3) . ?
Ag2 S6 2.608(3) . ?
Ag2 S0 2.723(3) . ?
Ag2 Pd1 2.8492(9) . ?
Ag2 Ag3 3.0156(13) . ?
Ag2 Ag4 3.0169(13) . ?
Ag2 Ag5 3.1299(13) 5_666 ?
Ag3 S10 2.592(3) . ?
Ag3 S11 2.693(3) . ?
Ag3 S0 2.721(3) . ?
Ag3 S2 2.813(3) 5_666 ?
Ag3 Pd1 2.9707(9) . ?
Ag3 Ag4 2.9927(14) . ?
Ag3 Ag1 3.0166(14) 5_666 ?
Ag3 Ag8 3.0620(14) . ?
Ag3 Ag5 3.2141(15) . ?
Ag4 S7 2.613(3) . ?
Ag4 S1 2.656(3) 5_666 ?
Ag4 S0 2.846(3) 5_666 ?
Ag4 Pd1 2.8558(10) . ?
Ag4 Ag5 2.9050(15) 5_666 ?
Ag4 Ag1 3.1078(14) 5_666 ?
Ag4 Ag6 3.3195(14) 5_666 ?
Ag5 S12 2.543(4) . ?
Ag5 S0 2.582(3) . ?
Ag5 S8 2.615(4) 5_666 ?
Ag5 Ag4 2.9052(15) 5_666 ?
Ag5 Pd1 2.9256(10) . ?
Ag5 Ag8 3.0547(14) . ?
Ag5 Ag1 3.0974(15) 5_666 ?
Ag5 Ag2 3.1299(13) 5_666 ?
Ag6 S1 2.522(3) . ?
Ag6 S3 2.527(3) . ?
Ag6 S5 2.611(3) . ?
Ag6 S0 2.746(3) . ?
Ag6 Ag4 3.3195(14) 5_666 ?
Ag6 Ag7 3.3212(14) . ?
Ag7 S6 2.500(3) . ?
Ag7 S9 2.530(3) . ?
Ag7 S3 2.544(3) . ?
Ag7 Ag8 3.1179(15) . ?
Ag8 S4 2.486(4) . ?
Ag8 S11 2.564(4) . ?
Ag8 S9 2.603(3) . ?
Ag8 S0 2.907(3) . ?
Pd1 S0 2.297(3) . ?
Pd1 S0 2.297(3) 5_666 ?
Pd1 Ag2 2.8491(9) 5_666 ?
Pd1 Ag4 2.8558(10) 5_666 ?
Pd1 Ag1 2.8739(9) 5_666 ?
Pd1 Ag5 2.9255(10) 5_666 ?
Pd1 Ag3 2.9708(9) 5_666 ?
S0 Ag4 2.846(3) 5_666 ?
S1 P1 2.004(4) . ?
S1 Ag4 2.657(3) 5_666 ?
S2 P1 2.010(4) . ?
S2 Ag3 2.812(3) 5_666 ?
S3 P2 2.018(5) . ?
S4 P2 1.969(5) . ?
S5 P3 2.002(5) . ?
S6 P3 2.013(5) . ?
S7 P4 2.007(5) . ?
S8 P4 1.969(5) . ?
S8 Ag5 2.615(4) 5_666 ?
S9 P5 2.013(5) . ?
S10 P5 1.975(5) . ?
S11 P6 1.984(7) . ?
S12 P6 1.982(8) . ?
S12 Ag1 2.666(4) 5_666 ?
P1 O1 1.577(9) . ?
P1 O2 1.578(8) . ?
P2 O3 1.587(9) . ?
P2 O4 1.590(10) . ?
P3 O6 1.576(10) . ?
P3 O5 1.582(10) . ?
P4 O7 1.590(11) . ?
P4 O8 1.613(12) . ?
P5 O10 1.572(10) . ?
P5 O9 1.594(10) . ?
P6 O12 1.58(2) . ?
P6 O11 1.589(14) . ?
P6 O12B 1.64(2) . ?
O1 C1 1.467(15) . ?
O2 C5 1.469(15) . ?
O3 C9 1.442(19) . ?
O4 C13 1.471(17) . ?
O5 C17 1.467(17) . ?
O6 C21 1.433(17) . ?
O7 C25 1.466(17) . ?
O8 C29 1.41(2) . ?
O9 C33 1.425(19) . ?
O10 C37 1.481(17) . ?
O11 C41 1.35(2) . ?
O12 C45 1.418(10) . ?
O12B C45B 1.392(19) . ?
C1 C2 1.505(19) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C4 1.52(2) . ?
C2 C3 1.52(2) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.512(19) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.51(2) . ?
C6 C8 1.53(2) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.54(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.49(3) . ?
C10 C12 1.54(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.46(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.48(3) . ?
C14 C15 1.54(2) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.517(19) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.50(2) . ?
C18 C20 1.54(2) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.50(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.48(2) . ?
C22 C24 1.50(2) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.48(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.49(2) . ?
C26 C28 1.55(2) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.55(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.43(3) . ?
C30 C32 1.56(3) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.52(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C36 1.45(3) . ?
C34 C35 1.52(3) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.49(2) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C40 1.47(2) . ?
C38 C39 1.53(2) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.50(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.46(3) . ?
C42 C44 1.522(10) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.542(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C48 1.543(10) . ?
C46 C47 1.554(10) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C45B C46B 1.55(2) . ?
C45B H45C 0.9900 . ?
C45B H45D 0.9900 . ?
C46B C48B 1.55(2) . ?
C46B C47B 1.58(2) . ?
C46B H46B 1.0000 . ?
C47B H47D 0.9800 . ?
C47B H47E 0.9800 . ?
C47B H47F 0.9800 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S5 Ag1 S2 92.48(10) . . ?
S5 Ag1 S12 97.80(11) . 5_666 ?
S2 Ag1 S12 108.94(15) . 5_666 ?
S5 Ag1 Pd1 135.98(8) . . ?
S2 Ag1 Pd1 109.66(8) . . ?
S12 Ag1 Pd1 109.35(10) 5_666 . ?
S5 Ag1 Ag2 94.97(8) . . ?
S2 Ag1 Ag2 167.37(8) . . ?
S12 Ag1 Ag2 80.14(13) 5_666 . ?
Pd1 Ag1 Ag2 58.19(2) . . ?
S5 Ag1 Ag3 151.49(8) . 5_666 ?
S2 Ag1 Ag3 59.25(7) . 5_666 ?
S12 Ag1 Ag3 95.29(10) 5_666 5_666 ?
Pd1 Ag1 Ag3 60.52(3) . 5_666 ?
Ag2 Ag1 Ag3 112.21(4) . 5_666 ?
S5 Ag1 Ag5 142.40(8) . 5_666 ?
S2 Ag1 Ag5 116.32(8) . 5_666 ?
S12 Ag1 Ag5 51.70(9) 5_666 5_666 ?
Pd1 Ag1 Ag5 58.53(3) . 5_666 ?
Ag2 Ag1 Ag5 61.94(3) . 5_666 ?
Ag3 Ag1 Ag5 63.42(3) 5_666 5_666 ?
S5 Ag1 Ag4 107.31(8) . 5_666 ?
S2 Ag1 Ag4 62.61(8) . 5_666 ?
S12 Ag1 Ag4 153.54(10) 5_666 5_666 ?
Pd1 Ag1 Ag4 56.87(3) . 5_666 ?
Ag2 Ag1 Ag4 105.32(4) . 5_666 ?
Ag3 Ag1 Ag4 58.48(3) 5_666 5_666 ?
Ag5 Ag1 Ag4 107.34(4) 5_666 5_666 ?
S7 Ag2 S6 105.53(10) . . ?
S7 Ag2 S0 145.88(11) . . ?
S6 Ag2 S0 93.71(9) . . ?
S7 Ag2 Pd1 113.04(8) . . ?
S6 Ag2 Pd1 140.49(8) . . ?
S0 Ag2 Pd1 48.62(6) . . ?
S7 Ag2 Ag1 138.71(9) . . ?
S6 Ag2 Ag1 96.77(7) . . ?
S0 Ag2 Ag1 63.34(7) . . ?
Pd1 Ag2 Ag1 59.00(2) . . ?
S7 Ag2 Ag3 89.99(9) . . ?
S6 Ag2 Ag3 112.37(8) . . ?
S0 Ag2 Ag3 56.33(7) . . ?
Pd1 Ag2 Ag3 60.79(2) . . ?
Ag1 Ag2 Ag3 113.19(4) . . ?
S7 Ag2 Ag4 55.15(8) . . ?
S6 Ag2 Ag4 156.48(8) . . ?
S0 Ag2 Ag4 97.85(7) . . ?
Pd1 Ag2 Ag4 58.18(2) . . ?
Ag1 Ag2 Ag4 106.72(4) . . ?
Ag3 Ag2 Ag4 59.48(3) . . ?
S7 Ag2 Ag5 80.29(8) . 5_666 ?
S6 Ag2 Ag5 140.01(8) . 5_666 ?
S0 Ag2 Ag5 102.85(7) . 5_666 ?
Pd1 Ag2 Ag5 58.36(2) . 5_666 ?
Ag1 Ag2 Ag5 60.84(3) . 5_666 ?
Ag3 Ag2 Ag5 107.09(4) . 5_666 ?
Ag4 Ag2 Ag5 56.37(3) . 5_666 ?
S10 Ag3 S11 105.97(11) . . ?
S10 Ag3 S0 106.90(10) . . ?
S11 Ag3 S0 106.70(10) . . ?
S10 Ag3 S2 99.56(10) . 5_666 ?
S11 Ag3 S2 82.32(10) . 5_666 ?
S0 Ag3 S2 148.00(9) . 5_666 ?
S10 Ag3 Pd1 125.37(8) . . ?
S11 Ag3 Pd1 126.13(9) . . ?
S0 Ag3 Pd1 47.35(6) . . ?
S2 Ag3 Pd1 102.25(7) 5_666 . ?
S10 Ag3 Ag4 91.98(8) . . ?
S11 Ag3 Ag4 142.78(9) . . ?
S0 Ag3 Ag4 98.48(7) . . ?
S2 Ag3 Ag4 62.38(7) 5_666 . ?
Pd1 Ag3 Ag4 57.22(3) . . ?
S10 Ag3 Ag2 68.89(8) . . ?
S11 Ag3 Ag2 156.73(9) . . ?
S0 Ag3 Ag2 56.40(6) . . ?
S2 Ag3 Ag2 120.65(7) 5_666 . ?
Pd1 Ag3 Ag2 56.84(2) . . ?
Ag4 Ag3 Ag2 60.28(3) . . ?
S10 Ag3 Ag1 148.45(8) . 5_666 ?
S11 Ag3 Ag1 88.02(9) . 5_666 ?
S0 Ag3 Ag1 95.41(7) . 5_666 ?
S2 Ag3 Ag1 53.56(7) 5_666 5_666 ?
Pd1 Ag3 Ag1 57.36(3) . 5_666 ?
Ag4 Ag3 Ag1 62.28(3) . 5_666 ?
Ag2 Ag3 Ag1 108.15(4) . 5_666 ?
S10 Ag3 Ag8 96.89(8) . . ?
S11 Ag3 Ag8 52.43(8) . . ?
S0 Ag3 Ag8 60.02(7) . . ?
S2 Ag3 Ag8 134.58(8) 5_666 . ?
Pd1 Ag3 Ag8 101.94(4) . . ?
Ag4 Ag3 Ag8 158.32(4) . . ?
Ag2 Ag3 Ag8 104.76(4) . . ?
Ag1 Ag3 Ag8 113.73(4) 5_666 . ?
S10 Ag3 Ag5 151.62(8) . . ?
S11 Ag3 Ag5 71.04(9) . . ?
S0 Ag3 Ag5 50.74(6) . . ?
S2 Ag3 Ag5 107.76(7) 5_666 . ?
Pd1 Ag3 Ag5 56.30(2) . . ?
Ag4 Ag3 Ag5 107.25(4) . . ?
Ag2 Ag3 Ag5 102.31(4) . . ?
Ag1 Ag3 Ag5 59.52(3) 5_666 . ?
Ag8 Ag3 Ag5 58.19(3) . . ?
S7 Ag4 S1 104.27(10) . 5_666 ?
S7 Ag4 S0 136.95(10) . 5_666 ?
S1 Ag4 S0 98.96(9) 5_666 5_666 ?
S7 Ag4 Pd1 111.20(8) . . ?
S1 Ag4 Pd1 143.26(8) 5_666 . ?
S0 Ag4 Pd1 47.51(6) 5_666 . ?
S7 Ag4 Ag5 83.87(9) . 5_666 ?
S1 Ag4 Ag5 115.30(8) 5_666 5_666 ?
S0 Ag4 Ag5 53.33(6) 5_666 5_666 ?
Pd1 Ag4 Ag5 61.03(3) . 5_666 ?
S7 Ag4 Ag3 89.50(8) . . ?
S1 Ag4 Ag3 129.94(8) 5_666 . ?
S0 Ag4 Ag3 102.68(7) 5_666 . ?
Pd1 Ag4 Ag3 61.00(3) . . ?
Ag5 Ag4 Ag3 113.89(4) 5_666 . ?
S7 Ag4 Ag2 53.52(8) . . ?
S1 Ag4 Ag2 157.55(8) 5_666 . ?
S0 Ag4 Ag2 97.25(7) 5_666 . ?
Pd1 Ag4 Ag2 57.97(2) . . ?
Ag5 Ag4 Ag2 63.78(3) 5_666 . ?
Ag3 Ag4 Ag2 60.24(3) . . ?
S7 Ag4 Ag1 148.68(8) . 5_666 ?
S1 Ag4 Ag1 95.72(7) 5_666 5_666 ?
S0 Ag4 Ag1 60.40(6) 5_666 5_666 ?
Pd1 Ag4 Ag1 57.43(2) . 5_666 ?
Ag5 Ag4 Ag1 109.22(4) 5_666 5_666 ?
Ag3 Ag4 Ag1 59.24(3) . 5_666 ?
Ag2 Ag4 Ag1 105.79(4) . 5_666 ?
S7 Ag4 Ag6 146.38(8) . 5_666 ?
S1 Ag4 Ag6 48.37(7) 5_666 5_666 ?
S0 Ag4 Ag6 52.20(6) 5_666 5_666 ?
Pd1 Ag4 Ag6 95.10(3) . 5_666 ?
Ag5 Ag4 Ag6 91.48(4) 5_666 5_666 ?
Ag3 Ag4 Ag6 122.36(4) . 5_666 ?
Ag2 Ag4 Ag6 149.38(4) . 5_666 ?
Ag1 Ag4 Ag6 63.75(3) 5_666 5_666 ?
S12 Ag5 S0 147.16(13) . . ?
S12 Ag5 S8 103.95(12) . 5_666 ?
S0 Ag5 S8 107.70(11) . 5_666 ?
S12 Ag5 Ag4 136.36(13) . 5_666 ?
S0 Ag5 Ag4 62.17(7) . 5_666 ?
S8 Ag5 Ag4 75.54(9) 5_666 5_666 ?
S12 Ag5 Pd1 111.35(10) . . ?
S0 Ag5 Pd1 48.81(6) . . ?
S8 Ag5 Pd1 134.03(9) 5_666 . ?
Ag4 Ag5 Pd1 58.65(3) 5_666 . ?
S12 Ag5 Ag8 110.04(13) . . ?
S0 Ag5 Ag8 61.43(7) . . ?
S8 Ag5 Ag8 90.93(8) 5_666 . ?
Ag4 Ag5 Ag8 113.60(4) 5_666 . ?
Pd1 Ag5 Ag8 103.17(3) . . ?
S12 Ag5 Ag1 55.36(9) . 5_666 ?
S0 Ag5 Ag1 96.43(7) . 5_666 ?
S8 Ag5 Ag1 152.98(8) 5_666 5_666 ?
Ag4 Ag5 Ag1 106.59(4) 5_666 5_666 ?
Pd1 Ag5 Ag1 56.91(2) . 5_666 ?
Ag8 Ag5 Ag1 111.66(4) . 5_666 ?
S12 Ag5 Ag2 79.19(12) . 5_666 ?
S0 Ag5 Ag2 100.37(7) . 5_666 ?
S8 Ag5 Ag2 105.33(8) 5_666 5_666 ?
Ag4 Ag5 Ag2 59.85(3) 5_666 5_666 ?
Pd1 Ag5 Ag2 56.01(2) . 5_666 ?
Ag8 Ag5 Ag2 159.07(4) . 5_666 ?
Ag1 Ag5 Ag2 57.22(3) 5_666 5_666 ?
S12 Ag5 Ag3 93.13(11) . . ?
S0 Ag5 Ag3 54.69(7) . . ?
S8 Ag5 Ag3 148.78(8) 5_666 . ?
Ag4 Ag5 Ag3 109.51(4) 5_666 . ?
Pd1 Ag5 Ag3 57.65(2) . . ?
Ag8 Ag5 Ag3 58.41(3) . . ?
Ag1 Ag5 Ag3 57.07(3) 5_666 . ?
Ag2 Ag5 Ag3 103.41(4) 5_666 . ?
S1 Ag6 S3 130.46(11) . . ?
S1 Ag6 S5 110.96(11) . . ?
S3 Ag6 S5 104.09(11) . . ?
S1 Ag6 S0 105.14(10) . . ?
S3 Ag6 S0 104.95(10) . . ?
S5 Ag6 S0 95.73(10) . . ?
S1 Ag6 Ag4 51.94(7) . 5_666 ?
S3 Ag6 Ag4 149.56(8) . 5_666 ?
S5 Ag6 Ag4 100.86(8) . 5_666 ?
S0 Ag6 Ag4 55.00(6) . 5_666 ?
S1 Ag6 Ag7 157.90(8) . . ?
S3 Ag6 Ag7 49.31(8) . . ?
S5 Ag6 Ag7 88.11(8) . . ?
S0 Ag6 Ag7 60.32(6) . . ?
Ag4 Ag6 Ag7 115.22(4) 5_666 . ?
S6 Ag7 S9 125.63(11) . . ?
S6 Ag7 S3 119.47(11) . . ?
S9 Ag7 S3 112.06(11) . . ?
S6 Ag7 Ag8 134.27(8) . . ?
S9 Ag7 Ag8 53.66(8) . . ?
S3 Ag7 Ag8 92.93(8) . . ?
S6 Ag7 Ag6 94.98(8) . . ?
S9 Ag7 Ag6 133.47(9) . . ?
S3 Ag7 Ag6 48.87(7) . . ?
Ag8 Ag7 Ag6 82.54(3) . . ?
S4 Ag8 S11 134.59(12) . . ?
S4 Ag8 S9 106.30(11) . . ?
S11 Ag8 S9 98.70(12) . . ?
S4 Ag8 S0 102.87(11) . . ?
S11 Ag8 S0 104.93(10) . . ?
S9 Ag8 S0 107.44(10) . . ?
S4 Ag8 Ag5 95.71(9) . . ?
S11 Ag8 Ag5 75.40(9) . . ?
S9 Ag8 Ag5 153.05(9) . . ?
S0 Ag8 Ag5 51.24(6) . . ?
S4 Ag8 Ag3 155.19(9) . . ?
S11 Ag8 Ag3 56.37(8) . . ?
S9 Ag8 Ag3 91.19(8) . . ?
S0 Ag8 Ag3 54.16(6) . . ?
Ag5 Ag8 Ag3 63.40(3) . . ?
S4 Ag8 Ag7 94.09(9) . . ?
S11 Ag8 Ag7 130.75(9) . . ?
S9 Ag8 Ag7 51.53(8) . . ?
S0 Ag8 Ag7 61.55(6) . . ?
Ag5 Ag8 Ag7 112.61(4) . . ?
Ag3 Ag8 Ag7 82.99(4) . . ?
S0 Pd1 S0 180.0 . 5_666 ?
S0 Pd1 Ag2 117.18(7) . 5_666 ?
S0 Pd1 Ag2 62.82(7) 5_666 5_666 ?
S0 Pd1 Ag2 62.82(7) . . ?
S0 Pd1 Ag2 117.18(7) 5_666 . ?
Ag2 Pd1 Ag2 180.00(3) 5_666 . ?
S0 Pd1 Ag4 66.03(8) . 5_666 ?
S0 Pd1 Ag4 113.97(8) 5_666 5_666 ?
Ag2 Pd1 Ag4 63.85(3) 5_666 5_666 ?
Ag2 Pd1 Ag4 116.15(3) . 5_666 ?
S0 Pd1 Ag4 113.97(8) . . ?
S0 Pd1 Ag4 66.03(8) 5_666 . ?
Ag2 Pd1 Ag4 116.15(3) 5_666 . ?
Ag2 Pd1 Ag4 63.85(3) . . ?
Ag4 Pd1 Ag4 180.0 5_666 . ?
S0 Pd1 Ag1 70.00(7) . . ?
S0 Pd1 Ag1 110.00(7) 5_666 . ?
Ag2 Pd1 Ag1 117.20(3) 5_666 . ?
Ag2 Pd1 Ag1 62.80(3) . . ?
Ag4 Pd1 Ag1 65.69(3) 5_666 . ?
Ag4 Pd1 Ag1 114.31(3) . . ?
S0 Pd1 Ag1 110.00(7) . 5_666 ?
S0 Pd1 Ag1 70.00(7) 5_666 5_666 ?
Ag2 Pd1 Ag1 62.80(3) 5_666 5_666 ?
Ag2 Pd1 Ag1 117.20(3) . 5_666 ?
Ag4 Pd1 Ag1 114.31(3) 5_666 5_666 ?
Ag4 Pd1 Ag1 65.69(3) . 5_666 ?
Ag1 Pd1 Ag1 180.00(2) . 5_666 ?
S0 Pd1 Ag5 122.24(7) . 5_666 ?
S0 Pd1 Ag5 57.76(7) 5_666 5_666 ?
Ag2 Pd1 Ag5 114.38(3) 5_666 5_666 ?
Ag2 Pd1 Ag5 65.62(3) . 5_666 ?
Ag4 Pd1 Ag5 119.68(3) 5_666 5_666 ?
Ag4 Pd1 Ag5 60.31(3) . 5_666 ?
Ag1 Pd1 Ag5 64.56(3) . 5_666 ?
Ag1 Pd1 Ag5 115.44(3) 5_666 5_666 ?
S0 Pd1 Ag5 57.76(7) . . ?
S0 Pd1 Ag5 122.24(7) 5_666 . ?
Ag2 Pd1 Ag5 65.62(3) 5_666 . ?
Ag2 Pd1 Ag5 114.37(3) . . ?
Ag4 Pd1 Ag5 60.32(3) 5_666 . ?
Ag4 Pd1 Ag5 119.68(3) . . ?
Ag1 Pd1 Ag5 115.44(3) . . ?
Ag1 Pd1 Ag5 64.56(3) 5_666 . ?
Ag5 Pd1 Ag5 180.0 5_666 . ?
S0 Pd1 Ag3 60.61(8) . . ?
S0 Pd1 Ag3 119.39(8) 5_666 . ?
Ag2 Pd1 Ag3 117.63(3) 5_666 . ?
Ag2 Pd1 Ag3 62.37(3) . . ?
Ag4 Pd1 Ag3 118.23(3) 5_666 . ?
Ag4 Pd1 Ag3 61.77(3) . . ?
Ag1 Pd1 Ag3 117.88(3) . . ?
Ag1 Pd1 Ag3 62.12(3) 5_666 . ?
Ag5 Pd1 Ag3 113.94(3) 5_666 . ?
Ag5 Pd1 Ag3 66.06(3) . . ?
S0 Pd1 Ag3 119.39(8) . 5_666 ?
S0 Pd1 Ag3 60.61(8) 5_666 5_666 ?
Ag2 Pd1 Ag3 62.38(3) 5_666 5_666 ?
Ag2 Pd1 Ag3 117.62(3) . 5_666 ?
Ag4 Pd1 Ag3 61.77(3) 5_666 5_666 ?
Ag4 Pd1 Ag3 118.23(3) . 5_666 ?
Ag1 Pd1 Ag3 62.12(3) . 5_666 ?
Ag1 Pd1 Ag3 117.88(3) 5_666 5_666 ?
Ag5 Pd1 Ag3 66.06(3) 5_666 5_666 ?
Ag5 Pd1 Ag3 113.94(3) . 5_666 ?
Ag3 Pd1 Ag3 180.0 . 5_666 ?
Pd1 S0 Ag5 73.43(8) . . ?
Pd1 S0 Ag3 72.04(8) . . ?
Ag5 S0 Ag3 74.57(8) . . ?
Pd1 S0 Ag2 68.55(8) . . ?
Ag5 S0 Ag2 132.37(12) . . ?
Ag3 S0 Ag2 67.27(7) . . ?
Pd1 S0 Ag6 129.63(12) . . ?
Ag5 S0 Ag6 113.94(11) . . ?
Ag3 S0 Ag6 157.63(12) . . ?
Ag2 S0 Ag6 112.18(10) . . ?
Pd1 S0 Ag4 66.46(7) . 5_666 ?
Ag5 S0 Ag4 64.50(7) . 5_666 ?
Ag3 S0 Ag4 127.83(10) . 5_666 ?
Ag2 S0 Ag4 120.75(10) . 5_666 ?
Ag6 S0 Ag4 72.80(8) . 5_666 ?
Pd1 S0 Ag8 128.07(12) . . ?
Ag5 S0 Ag8 67.33(7) . . ?
Ag3 S0 Ag8 65.82(7) . . ?
Ag2 S0 Ag8 117.48(10) . . ?
Ag6 S0 Ag8 97.45(9) . . ?
Ag4 S0 Ag8 120.19(10) 5_666 . ?
P1 S1 Ag6 102.60(15) . . ?
P1 S1 Ag4 87.12(14) . 5_666 ?
Ag6 S1 Ag4 79.69(9) . 5_666 ?
P1 S2 Ag1 112.08(15) . . ?
P1 S2 Ag3 136.43(17) . 5_666 ?
Ag1 S2 Ag3 67.19(8) . 5_666 ?
P2 S3 Ag6 109.97(17) . . ?
P2 S3 Ag7 100.94(16) . . ?
Ag6 S3 Ag7 81.82(9) . . ?
P2 S4 Ag8 105.18(17) . . ?
P3 S5 Ag1 107.66(16) . . ?
P3 S5 Ag6 109.28(17) . . ?
Ag1 S5 Ag6 81.76(9) . . ?
P3 S6 Ag7 101.05(16) . . ?
P3 S6 Ag2 106.29(15) . . ?
Ag7 S6 Ag2 92.04(10) . . ?
P4 S7 Ag2 112.49(19) . . ?
P4 S7 Ag4 97.56(16) . . ?
Ag2 S7 Ag4 71.32(9) . . ?
P4 S8 Ag5 93.97(16) . 5_666 ?
P5 S9 Ag7 103.87(16) . . ?
P5 S9 Ag8 106.89(16) . . ?
Ag7 S9 Ag8 74.80(9) . . ?
P5 S10 Ag3 101.02(17) . . ?
P6 S11 Ag8 114.7(2) . . ?
P6 S11 Ag3 116.3(2) . . ?
Ag8 S11 Ag3 71.20(9) . . ?
P6 S12 Ag5 94.23(19) . . ?
P6 S12 Ag1 105.4(2) . 5_666 ?
Ag5 S12 Ag1 72.94(11) . 5_666 ?
O1 P1 O2 101.8(5) . . ?
O1 P1 S1 112.2(4) . . ?
O2 P1 S1 108.1(4) . . ?
O1 P1 S2 106.7(4) . . ?
O2 P1 S2 108.8(4) . . ?
S1 P1 S2 118.0(2) . . ?
O3 P2 O4 100.2(5) . . ?
O3 P2 S4 109.9(4) . . ?
O4 P2 S4 109.2(4) . . ?
O3 P2 S3 107.6(4) . . ?
O4 P2 S3 108.7(4) . . ?
S4 P2 S3 119.4(2) . . ?
O6 P3 O5 110.2(6) . . ?
O6 P3 S5 101.6(4) . . ?
O5 P3 S5 110.2(4) . . ?
O6 P3 S6 110.6(4) . . ?
O5 P3 S6 101.8(4) . . ?
S5 P3 S6 122.3(2) . . ?
O7 P4 O8 107.0(6) . . ?
O7 P4 S8 108.7(4) . . ?
O8 P4 S8 112.4(4) . . ?
O7 P4 S7 110.3(4) . . ?
O8 P4 S7 99.8(5) . . ?
S8 P4 S7 118.0(2) . . ?
O10 P5 O9 100.2(5) . . ?
O10 P5 S10 111.7(4) . . ?
O9 P5 S10 109.7(4) . . ?
O10 P5 S9 106.5(4) . . ?
O9 P5 S9 108.1(4) . . ?
S10 P5 S9 118.9(2) . . ?
O12 P6 O11 88.8(11) . . ?
O11 P6 O12B 109.9(11) . . ?
O12 P6 S12 118.9(9) . . ?
O11 P6 S12 111.6(7) . . ?
O12B P6 S12 85.0(8) . . ?
O12 P6 S11 104.8(10) . . ?
O11 P6 S11 110.3(7) . . ?
O12B P6 S11 119.3(10) . . ?
S12 P6 S11 118.4(3) . . ?
C1 O1 P1 120.6(8) . . ?
C5 O2 P1 119.1(8) . . ?
C9 O3 P2 122.0(9) . . ?
C13 O4 P2 120.1(9) . . ?
C17 O5 P3 123.1(9) . . ?
C21 O6 P3 124.0(10) . . ?
C25 O7 P4 119.8(10) . . ?
C29 O8 P4 123.7(12) . . ?
C33 O9 P5 121.9(10) . . ?
C37 O10 P5 121.1(9) . . ?
C41 O11 P6 121.9(12) . . ?
C45 O12 P6 121.1(19) . . ?
C45B O12B P6 106.1(18) . . ?
O1 C1 C2 111.5(12) . . ?
O1 C1 H1A 109.3 . . ?
C2 C1 H1A 109.3 . . ?
O1 C1 H1B 109.3 . . ?
C2 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
C1 C2 C4 111.1(13) . . ?
C1 C2 C3 110.3(13) . . ?
C4 C2 C3 110.4(15) . . ?
C1 C2 H2 108.3 . . ?
C4 C2 H2 108.3 . . ?
C3 C2 H2 108.3 . . ?
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 108.8(11) . . ?
O2 C5 H5A 109.9 . . ?
C6 C5 H5A 109.9 . . ?
O2 C5 H5B 109.9 . . ?
C6 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
C5 C6 C7 112.6(13) . . ?
C5 C6 C8 107.8(13) . . ?
C7 C6 C8 113.1(14) . . ?
C5 C6 H6 107.7 . . ?
C7 C6 H6 107.7 . . ?
C8 C6 H6 107.7 . . ?
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 107.3(13) . . ?
O3 C9 H9A 110.3 . . ?
C10 C9 H9A 110.3 . . ?
O3 C9 H9B 110.3 . . ?
C10 C9 H9B 110.3 . . ?
H9A C9 H9B 108.5 . . ?
C11 C10 C12 112.8(19) . . ?
C11 C10 C9 107.8(16) . . ?
C12 C10 C9 108.6(16) . . ?
C11 C10 H10 109.2 . . ?
C12 C10 H10 109.2 . . ?
C9 C10 H10 109.2 . . ?
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 . . ?
C14 C13 O4 110.3(14) . . ?
C14 C13 H13A 109.6 . . ?
O4 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
O4 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C13 C14 C16 114(2) . . ?
C13 C14 C15 108.2(16) . . ?
C16 C14 C15 112.2(17) . . ?
C13 C14 H14 107.5 . . ?
C16 C14 H14 107.5 . . ?
C15 C14 H14 107.5 . . ?
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 112.8(12) . . ?
O5 C17 H17A 109.0 . . ?
C18 C17 H17A 109.0 . . ?
O5 C17 H17B 109.0 . . ?
C18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C19 C18 C17 111.1(14) . . ?
C19 C18 C20 112.4(13) . . ?
C17 C18 C20 107.1(12) . . ?
C19 C18 H18 108.7 . . ?
C17 C18 H18 108.7 . . ?
C20 C18 H18 108.7 . . ?
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 107.8(13) . . ?
O6 C21 H21A 110.2 . . ?
C22 C21 H21A 110.2 . . ?
O6 C21 H21B 110.2 . . ?
C22 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
C23 C22 C24 112.6(14) . . ?
C23 C22 C21 115.0(15) . . ?
C24 C22 C21 110.3(14) . . ?
C23 C22 H22 106.1 . . ?
C24 C22 H22 106.1 . . ?
C21 C22 H22 106.1 . . ?
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 107.4(13) . . ?
O7 C25 H25A 110.2 . . ?
C26 C25 H25A 110.2 . . ?
O7 C25 H25B 110.2 . . ?
C26 C25 H25B 110.2 . . ?
H25A C25 H25B 108.5 . . ?
C25 C26 C27 111.7(15) . . ?
C25 C26 C28 108.1(14) . . ?
C27 C26 C28 111.9(14) . . ?
C25 C26 H26 108.3 . . ?
C27 C26 H26 108.3 . . ?
C28 C26 H26 108.3 . . ?
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 111.5(17) . . ?
O8 C29 H29A 109.3 . . ?
C30 C29 H29A 109.3 . . ?
O8 C29 H29B 109.3 . . ?
C30 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C31 C30 C29 110.4(19) . . ?
C31 C30 C32 113(2) . . ?
C29 C30 C32 108.6(18) . . ?
C31 C30 H30 108.2 . . ?
C29 C30 H30 108.2 . . ?
C32 C30 H30 108.2 . . ?
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(16) . . ?
O9 C33 H33A 108.7 . . ?
C34 C33 H33A 108.7 . . ?
O9 C33 H33B 108.7 . . ?
C34 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C36 C34 C33 112(2) . . ?
C36 C34 C35 113.1(18) . . ?
C33 C34 C35 110.3(17) . . ?
C36 C34 H34 107.2 . . ?
C33 C34 H34 107.2 . . ?
C35 C34 H34 107.2 . . ?
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 110.9(13) . . ?
O10 C37 H37A 109.4 . . ?
C38 C37 H37A 109.4 . . ?
O10 C37 H37B 109.4 . . ?
C38 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C40 C38 C37 113.7(14) . . ?
C40 C38 C39 112.3(14) . . ?
C37 C38 C39 106.8(13) . . ?
C40 C38 H38 107.9 . . ?
C37 C38 H38 107.9 . . ?
C39 C38 H38 107.9 . . ?
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 111.8(17) . . ?
O11 C41 H41A 109.3 . . ?
C42 C41 H41A 109.3 . . ?
O11 C41 H41B 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 107.9 . . ?
C43 C42 C41 109.3(19) . . ?
C43 C42 C44 115(2) . . ?
C41 C42 C44 110(2) . . ?
C43 C42 H42 107.2 . . ?
C41 C42 H42 107.2 . . ?
C44 C42 H42 107.2 . . ?
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 117(3) . . ?
O12 C45 H45A 108.1 . . ?
C46 C45 H45A 108.1 . . ?
O12 C45 H45B 108.1 . . ?
C46 C45 H45B 108.1 . . ?
H45A C45 H45B 107.3 . . ?
C45 C46 C48 131(3) . . ?
C45 C46 C47 98(2) . . ?
C48 C46 C47 95.1(8) . . ?
C45 C46 H46 109.7 . . ?
C48 C46 H46 109.7 . . ?
C47 C46 H46 109.7 . . ?
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 . . ?
O12B C45B C46B 122(3) . . ?
O12B C45B H45C 106.8 . . ?
C46B C45B H45C 106.8 . . ?
O12B C45B H45D 106.8 . . ?
C46B C45B H45D 106.8 . . ?
H45C C45B H45D 106.7 . . ?
C45B C46B C48B 95.4(13) . . ?
C45B C46B C47B 107(3) . . ?
C48B C46B C47B 111(3) . . ?
C45B C46B H46B 113.8 . . ?
C48B C46B H46B 113.8 . . ?
C47B C46B H46B 113.8 . . ?
C46B C47B H47D 109.5 . . ?
C46B C47B H47E 109.5 . . ?
H47D C47B H47E 109.5 . . ?
C46B C47B H47F 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C46B C48B H48D 109.5 . . ?
C46B C48B H48E 109.5 . . ?
H48D C48B H48E 109.5 . . ?
C46B C48B H48F 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?

_refine_diff_density_max         1.810
_refine_diff_density_min         -1.287
_refine_diff_density_rms         0.217

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2379722'
loop_
_audit_author_name
_audit_author_address
'Chen-Wei Liu'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2024-08-26 deposited with the CCDC.	2024-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H216 Ag14 O24 P12 Pd6 S25'
_chemical_formula_weight         5076.40

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.605(5)
_cell_length_b                   18.060(5)
_cell_length_c                   18.102(8)
_cell_angle_alpha                119.776(6)
_cell_angle_beta                 93.951(10)
_cell_angle_gamma                103.556(7)
_cell_volume                     4200(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9880
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      25.09

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_F_000             2498
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    2.692
_shelx_estimated_absorpt_T_min   0.629
_shelx_estimated_absorpt_T_max   0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6206
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48336
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.611
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14786
_reflns_number_gt                9005
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0976P)²+19.1642P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14786
_refine_ls_number_parameters     800
_refine_ls_number_restraints     518
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_ref         0.2312
_refine_ls_wR_factor_gt          0.1816
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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) . ?

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 . ?

_refine_diff_density_max         1.107
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.121




# start Validation Reply Form
_vrf_PLAT232_1b                  
;
RESPONSE:This alert may be due to the 
distance between Ag and S being too long,
which is not a normal coordination bond.
;
_vrf_PLAT342_1b                  
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT230_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT232_2                   
;
RESPONSE:This alert may be due to the 
distance between Ag and S being too long,
which is not a normal coordination bond.
;
_vrf_PLAT234_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT241_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT242_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT342_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT412_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
_vrf_PLAT413_2                   
;
RESPONSE:This alert might be caused by 
disordered ligands that were not refined.
;
# end Validation Reply Form
