#------------------------------------------------------------------------------
#$Date: 2023-04-04 13:19:29 +0300 (Tue, 04 Apr 2023) $
#$Revision: 282341 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/85/1568558.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1568558
loop_
_publ_author_name
'Liao, Jian-Hong'
'Chiu, Tzu-Hao'
'Liang, Hao'
'Kahlal, Samia'
'Saillard, Jean-Yves'
'Liu, C. W.'
_publ_section_title
;
 Galvanic replacement-induced introduction of a heteroligand into
 bimetallic and trimetallic nanoclusters.
;
_journal_issue                   13
_journal_name_full               Nanoscale
_journal_page_first              6121
_journal_page_last               6125
_journal_paper_doi               10.1039/d3nr00509g
_journal_volume                  15
_journal_year                    2023
_chemical_formula_sum            'C114 H158 Ag12 Au5 F12 O14 P13 S14'
_chemical_formula_weight         5111.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-01-23 deposited with the CCDC.	2023-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.624(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.034(3)
_cell_length_b                   27.879(3)
_cell_length_c                   18.1905(18)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      2.26
_cell_volume                     15097(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1240
_diffrn_reflns_av_unetI/netI     0.1219
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            95474
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.001
_exptl_absorpt_coefficient_mu    6.753
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.249
_exptl_crystal_description       plate
_exptl_crystal_F_000             9760
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.809
_refine_diff_density_min         -5.870
_refine_diff_density_rms         0.317
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1399
_refine_ls_number_reflns         26457
_refine_ls_number_restraints     1519
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.2054
_refine_ls_R_factor_gt           0.1084
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0798P)²+1285.1500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2490
_refine_ls_wR_factor_ref         0.3172
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13745
_reflns_number_total             26457
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nr00509g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1568558--1568559.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568558
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.431
_shelx_estimated_absorpt_t_max   0.774
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 -0.30593(9) 0.08763(8) 0.29687(12) 0.0436(6) Uani 1 1 d . . . . .
Ag2 Ag -0.25628(9) 0.05861(9) 0.18106(12) 0.0489(7) Uani 1 1 d . . . . .
Ag3 Ag -0.30699(8) -0.08282(8) 0.29943(12) 0.0400(6) Uani 1 1 d . . . . .
Ag4 Ag -0.25950(8) -0.05250(9) 0.43889(12) 0.0437(6) Uani 1 1 d . . . . .
Ag5 Ag -0.20910(10) 0.08821(10) 0.32859(14) 0.0580(7) Uani 1 1 d . . . . .
Ag6 Ag -0.18018(8) 0.00381(11) 0.24629(13) 0.0550(7) Uani 1 1 d . . . . .
Ag7 Ag -0.21065(8) -0.08428(10) 0.31556(13) 0.0502(7) Uani 1 1 d . . . . .
Ag8 Ag -0.18156(8) 0.00065(11) 0.40194(12) 0.0538(7) Uani 1 1 d . . . . .
Ag9 Ag -0.20804(16) 0.15327(13) 0.20032(19) 0.1003(13) Uani 1 1 d . . . . .
Ag10 Ag -0.11620(14) 0.08253(18) 0.2772(2) 0.1156(16) Uani 1 1 d . . . . .
Ag11 Ag -0.23066(12) -0.15354(12) 0.43855(17) 0.0744(9) Uani 1 1 d . . . . .
Ag12 Ag -0.13567(11) -0.09140(15) 0.44077(17) 0.0857(11) Uani 1 1 d . . . . .
Au1 Au -0.26071(4) 0.00212(4) 0.30882(5) 0.0339(3) Uani 1 1 d . . . . .
Au2 Au -0.25934(4) -0.04815(5) 0.18145(6) 0.0436(3) Uani 1 1 d . . . . .
Au3 Au -0.33667(4) 0.00488(4) 0.20876(6) 0.0386(3) Uani 1 1 d . . . . .
Au4 Au -0.33840(4) 0.00205(4) 0.36940(5) 0.0343(3) Uani 1 1 d . . . . .
Au5 Au -0.26104(5) 0.05253(5) 0.43727(6) 0.0459(3) Uani 1 1 d . . . . .
C1 C -0.002(2) 0.053(2) 0.439(3) 0.16(2) Uani 1 1 d D U . . .
H1A H 0.015346 0.028120 0.467584 0.194 Uiso 1 1 calc R U . . .
H1B H -0.018978 0.072362 0.472150 0.194 Uiso 1 1 calc R U . . .
C2 C 0.027(2) 0.085(2) 0.396(4) 0.18(2) Uani 1 1 d D U . . .
H2A H 0.057853 0.086864 0.423568 0.221 Uiso 1 1 calc R U . . .
H2B H 0.029320 0.070820 0.346813 0.221 Uiso 1 1 calc R U . . .
C3 C 0.008(3) 0.136(2) 0.386(4) 0.23(4) Uani 1 1 d D U . . .
H3A H -0.017845 0.135983 0.346053 0.352 Uiso 1 1 calc R U . . .
H3B H 0.030934 0.157972 0.371959 0.352 Uiso 1 1 calc R U . . .
H3C H -0.002200 0.147043 0.431924 0.352 Uiso 1 1 calc R U . . .
C4 C -0.008(2) -0.080(2) 0.342(3) 0.17(2) Uani 1 1 d D U . . .
H4A H 0.019295 -0.059917 0.344599 0.199 Uiso 1 1 calc R U . . .
H4B H -0.022161 -0.081215 0.289999 0.199 Uiso 1 1 calc R U . . .
C5 C 0.005(2) -0.131(2) 0.369(4) 0.18(2) Uani 1 1 d D U . . .
H5A H 0.004238 -0.149560 0.322272 0.221 Uiso 1 1 calc R U . . .
H5B H 0.037534 -0.128104 0.388264 0.221 Uiso 1 1 calc R U . . .
C6 C -0.013(3) -0.166(3) 0.423(4) 0.26(4) Uani 1 1 d D U . . .
H6A H -0.032675 -0.148905 0.452543 0.393 Uiso 1 1 calc R U . . .
H6B H 0.012156 -0.180262 0.455452 0.393 Uiso 1 1 calc R U . . .
H6C H -0.030008 -0.191595 0.394476 0.393 Uiso 1 1 calc R U . . .
C7 C -0.1100(18) -0.220(2) 0.215(4) 0.18(2) Uani 1 1 d D U . . .
H7A H -0.084730 -0.207524 0.250114 0.211 Uiso 1 1 calc R U . . .
H7B H -0.115747 -0.197162 0.173123 0.211 Uiso 1 1 calc R U . . .
C8 C -0.097(2) -0.269(2) 0.185(4) 0.18(2) Uani 1 1 d D U . . .
H8A H -0.066223 -0.267490 0.171013 0.216 Uiso 1 1 calc R U . . .
H8B H -0.117959 -0.277875 0.140694 0.216 Uiso 1 1 calc R U . . .
C9 C -0.099(4) -0.307(3) 0.246(5) 0.28(4) Uani 1 1 d D U . . .
H9A H -0.076934 -0.299008 0.289391 0.425 Uiso 1 1 calc R U . . .
H9B H -0.090921 -0.338743 0.227103 0.425 Uiso 1 1 calc R U . . .
H9C H -0.128855 -0.308452 0.260396 0.425 Uiso 1 1 calc R U . . .
C10 C -0.144(2) -0.2576(19) 0.423(4) 0.19(2) Uani 1 1 d D U . . .
H10A H -0.143264 -0.283121 0.385247 0.224 Uiso 1 1 calc R U . . .
H10B H -0.174391 -0.257658 0.439355 0.224 Uiso 1 1 calc R U . . .
C11 C -0.107(2) -0.266(3) 0.489(4) 0.20(3) Uani 1 1 d D U . . .
H11A H -0.104493 -0.236863 0.521216 0.242 Uiso 1 1 calc R U . . .
H11B H -0.115648 -0.293188 0.519277 0.242 Uiso 1 1 calc R U . . .
C12 C -0.063(3) -0.276(4) 0.460(5) 0.27(4) Uani 1 1 d D U . . .
H12A H -0.039055 -0.281192 0.501633 0.400 Uiso 1 1 calc R U . . .
H12B H -0.065800 -0.304746 0.428535 0.400 Uiso 1 1 calc R U . . .
H12C H -0.054677 -0.248585 0.430469 0.400 Uiso 1 1 calc R U . . .
C13 C -0.131(3) -0.0292(17) 0.674(3) 0.229(17) Uani 1 1 d D U . . .
H13A H -0.160501 -0.012876 0.675426 0.275 Uiso 1 1 calc R U . . .
H13B H -0.112669 -0.009403 0.645226 0.275 Uiso 1 1 calc R U . . .
C14 C -0.1073(19) -0.036(3) 0.754(4) 0.231(17) Uani 1 1 d D U . . .
H14A H -0.079638 -0.016749 0.763620 0.277 Uiso 1 1 calc R U . . .
H14B H -0.099968 -0.070455 0.764698 0.277 Uiso 1 1 calc R U . . .
C15 C -0.144(2) -0.018(3) 0.798(3) 0.241(19) Uani 1 1 d D U . . .
H15A H -0.134130 -0.020235 0.851049 0.361 Uiso 1 1 calc R U . . .
H15B H -0.151426 0.015496 0.784492 0.361 Uiso 1 1 calc R U . . .
H15C H -0.171533 -0.037621 0.785558 0.361 Uiso 1 1 calc R U . . .
C16 C -0.232(2) -0.141(3) 0.668(4) 0.21(2) Uani 1 1 d D U . . .
H16A H -0.227569 -0.163900 0.628269 0.247 Uiso 1 1 calc R U . . .
H16B H -0.258485 -0.121015 0.649234 0.247 Uiso 1 1 calc R U . . .
C17 C -0.245(3) -0.170(3) 0.734(4) 0.20(2) Uani 1 1 d D U . . .
H17A H -0.275542 -0.184411 0.721978 0.244 Uiso 1 1 calc R U . . .
H17B H -0.223300 -0.196672 0.747397 0.244 Uiso 1 1 calc R U . . .
C18 C -0.244(3) -0.133(3) 0.797(4) 0.24(3) Uani 1 1 d D U . . .
H18A H -0.251561 -0.148925 0.841408 0.354 Uiso 1 1 calc R U . . .
H18B H -0.213403 -0.119808 0.806765 0.354 Uiso 1 1 calc R U . . .
H18C H -0.265252 -0.107640 0.781537 0.354 Uiso 1 1 calc R U . . .
C19 C -0.3926(17) -0.188(3) 0.500(2) 0.17(2) Uani 1 1 d D U . . .
H19A H -0.385031 -0.162618 0.538926 0.205 Uiso 1 1 calc R U . . .
H19B H -0.369901 -0.213415 0.507681 0.205 Uiso 1 1 calc R U . . .
C20 C -0.4403(16) -0.207(3) 0.502(3) 0.17(2) Uani 1 1 d D U . . .
H20A H -0.445117 -0.237965 0.475098 0.205 Uiso 1 1 calc R U . . .
H20B H -0.463661 -0.183920 0.482458 0.205 Uiso 1 1 calc R U . . .
C21 C -0.439(2) -0.214(2) 0.587(3) 0.17(2) Uani 1 1 d D U . . .
H21A H -0.409200 -0.226731 0.607418 0.258 Uiso 1 1 calc R U . . .
H21B H -0.462092 -0.236988 0.596494 0.258 Uiso 1 1 calc R U . . .
H21C H -0.443851 -0.183347 0.609989 0.258 Uiso 1 1 calc R U . . .
C22 C -0.3267(19) -0.2625(18) 0.365(3) 0.145(19) Uani 1 1 d D U . . .
H22A H -0.309034 -0.289271 0.389914 0.174 Uiso 1 1 calc R U . . .
H22B H -0.311027 -0.250857 0.323770 0.174 Uiso 1 1 calc R U . . .
C23 C -0.374(2) -0.280(3) 0.334(4) 0.19(3) Uani 1 1 d D U . . .
H23A H -0.380262 -0.301317 0.375447 0.222 Uiso 1 1 calc R U . . .
H23B H -0.391647 -0.250553 0.341776 0.222 Uiso 1 1 calc R U . . .
C24 C -0.405(3) -0.303(4) 0.270(5) 0.30(5) Uani 1 1 d D U . . .
H24A H -0.435883 -0.290714 0.269390 0.449 Uiso 1 1 calc R U . . .
H24B H -0.405237 -0.337878 0.276226 0.449 Uiso 1 1 calc R U . . .
H24C H -0.394413 -0.294987 0.222874 0.449 Uiso 1 1 calc R U . . .
C25 C -0.0591(15) 0.058(3) 0.064(4) 0.22(3) Uani 1 1 d D U . . .
H25A H -0.052637 0.092281 0.073893 0.263 Uiso 1 1 calc R U . . .
H25B H -0.063483 0.053503 0.009774 0.263 Uiso 1 1 calc R U . . .
C26 C -0.017(3) 0.029(2) 0.096(5) 0.24(3) Uani 1 1 d D U . . .
H26A H -0.004260 0.011540 0.056048 0.284 Uiso 1 1 calc R U . . .
H26B H -0.023297 0.006665 0.134634 0.284 Uiso 1 1 calc R U . . .
C27 C 0.015(2) 0.070(4) 0.128(6) 0.32(4) Uani 1 1 d D U . . .
H27A H 0.043878 0.055538 0.149917 0.484 Uiso 1 1 calc R U . . .
H27B H 0.020598 0.091854 0.088331 0.484 Uiso 1 1 calc R U . . .
H27C H 0.001725 0.087021 0.166240 0.484 Uiso 1 1 calc R U . . .
C28 C -0.155(2) 0.076(3) -0.054(4) 0.27(2) Uani 1 1 d D U . . .
H28A H -0.163085 0.042192 -0.045413 0.330 Uiso 1 1 calc R U . . .
H28B H -0.127412 0.076959 -0.077579 0.330 Uiso 1 1 calc R U . . .
C29 C -0.194(3) 0.1018(19) -0.103(3) 0.28(2) Uani 1 1 d D U . . .
H29A H -0.210651 0.123662 -0.073106 0.334 Uiso 1 1 calc R U . . .
H29B H -0.183329 0.119729 -0.143780 0.334 Uiso 1 1 calc R U . . .
C30 C -0.2224(17) 0.0578(19) -0.131(4) 0.29(2) Uani 1 1 d D U . . .
H30A H -0.249138 0.068396 -0.163218 0.429 Uiso 1 1 calc R U . . .
H30B H -0.204498 0.036552 -0.158034 0.429 Uiso 1 1 calc R U . . .
H30C H -0.231520 0.040442 -0.088133 0.429 Uiso 1 1 calc R U . . .
C31 C -0.3931(18) 0.178(2) 0.076(4) 0.23(2) Uani 1 1 d D U . . .
H31A H -0.406056 0.157028 0.111541 0.273 Uiso 1 1 calc R U . . .
H31B H -0.388385 0.159593 0.030742 0.273 Uiso 1 1 calc R U . . .
C32 C -0.419(2) 0.225(2) 0.059(5) 0.21(3) Uani 1 1 d D U . . .
H32A H -0.410602 0.249494 0.097136 0.251 Uiso 1 1 calc R U . . .
H32B H -0.414923 0.237870 0.009487 0.251 Uiso 1 1 calc R U . . .
C33 C -0.468(2) 0.208(3) 0.060(5) 0.24(3) Uani 1 1 d D U . . .
H33A H -0.488502 0.235172 0.049511 0.363 Uiso 1 1 calc R U . . .
H33B H -0.475364 0.183170 0.021960 0.363 Uiso 1 1 calc R U . . .
H33C H -0.471082 0.194687 0.108800 0.363 Uiso 1 1 calc R U . . .
C34 C -0.314(2) 0.266(2) 0.222(4) 0.194(18) Uani 1 1 d D U . . .
H34A H -0.333980 0.253792 0.257142 0.233 Uiso 1 1 calc R U . . .
H34B H -0.331545 0.289157 0.187923 0.233 Uiso 1 1 calc R U . . .
C35 C -0.273(2) 0.291(3) 0.264(4) 0.201(18) Uani 1 1 d D U . . .
H35A H -0.253718 0.303646 0.228187 0.241 Uiso 1 1 calc R U . . .
H35B H -0.254594 0.266656 0.295322 0.241 Uiso 1 1 calc R U . . .
C36 C -0.286(3) 0.3317(18) 0.314(2) 0.22(2) Uani 1 1 d D U . . .
H36A H -0.258338 0.346475 0.339831 0.329 Uiso 1 1 calc R U . . .
H36B H -0.302950 0.355887 0.283138 0.329 Uiso 1 1 calc R U . . .
H36C H -0.303825 0.318918 0.350234 0.329 Uiso 1 1 calc R U . . .
C37 C -0.0766(15) 0.228(3) 0.320(3) 0.19(2) Uani 1 1 d D U . . .
H37A H -0.053850 0.204296 0.339767 0.225 Uiso 1 1 calc R U . . .
H37B H -0.075115 0.256170 0.353470 0.225 Uiso 1 1 calc R U . . .
C38 C -0.0699(18) 0.244(3) 0.241(3) 0.19(3) Uani 1 1 d D U . . .
H38A H -0.081677 0.276151 0.228492 0.232 Uiso 1 1 calc R U . . .
H38B H -0.083755 0.220549 0.202779 0.232 Uiso 1 1 calc R U . . .
C39 C -0.0182(19) 0.242(4) 0.248(4) 0.25(4) Uani 1 1 d D U . . .
H39A H -0.005657 0.263392 0.288577 0.377 Uiso 1 1 calc R U . . .
H39B H -0.008157 0.252544 0.201735 0.377 Uiso 1 1 calc R U . . .
H39C H -0.007787 0.209170 0.259440 0.377 Uiso 1 1 calc R U . . .
C40 C -0.149(2) 0.2597(16) 0.449(3) 0.17(2) Uani 1 1 d D U . . .
H40A H -0.182181 0.261572 0.439718 0.205 Uiso 1 1 calc R U . . .
H40B H -0.136122 0.280560 0.413568 0.205 Uiso 1 1 calc R U . . .
C41 C -0.132(2) 0.2748(19) 0.530(3) 0.18(2) Uani 1 1 d D U . . .
H41A H -0.142722 0.307139 0.541382 0.217 Uiso 1 1 calc R U . . .
H41B H -0.140592 0.251395 0.566324 0.217 Uiso 1 1 calc R U . . .
C42 C -0.0811(18) 0.274(3) 0.526(4) 0.24(4) Uani 1 1 d D U . . .
H42A H -0.064962 0.283349 0.574617 0.353 Uiso 1 1 calc R U . . .
H42B H -0.071836 0.241969 0.513184 0.353 Uiso 1 1 calc R U . . .
H42C H -0.073943 0.297110 0.488512 0.353 Uiso 1 1 calc R U . . .
C43 C -0.1956(7) -0.0967(13) 0.0568(14) 0.097(6) Uani 1 1 d G . . . .
C44 C -0.1608(9) -0.0968(13) 0.1153(10) 0.097(6) Uani 1 1 d G . . . .
H44 H -0.167350 -0.096262 0.165019 0.117 Uiso 1 1 calc R U . . .
C45 C -0.1165(8) -0.0976(13) 0.1012(12) 0.097(6) Uani 1 1 d G . . . .
H45 H -0.092675 -0.097671 0.141261 0.117 Uiso 1 1 calc R U . . .
C46 C -0.1069(7) -0.0984(13) 0.0285(14) 0.097(6) Uani 1 1 d G . . . .
H46 H -0.076578 -0.098979 0.018892 0.117 Uiso 1 1 calc R U . . .
C47 C -0.1417(9) -0.0983(13) -0.0300(10) 0.097(6) Uani 1 1 d G . . . .
H47 H -0.135155 -0.098880 -0.079721 0.117 Uiso 1 1 calc R U . . .
C48 C -0.1860(8) -0.0975(13) -0.0159(12) 0.097(6) Uani 1 1 d G . . . .
H48 H -0.209830 -0.097471 -0.055965 0.117 Uiso 1 1 calc R U . . .
C49 C -0.2668(11) -0.1553(7) 0.0888(17) 0.098(6) Uani 1 1 d G . . . .
C50 C -0.3034(10) -0.1652(8) 0.1258(17) 0.098(6) Uani 1 1 d G . . . .
H50 H -0.319014 -0.139723 0.145873 0.117 Uiso 1 1 calc R U . . .
C51 C -0.3172(9) -0.2123(10) 0.1334(16) 0.098(6) Uani 1 1 d G . . . .
H51 H -0.342170 -0.219078 0.158692 0.117 Uiso 1 1 calc R U . . .
C52 C -0.2943(11) -0.2496(7) 0.1041(17) 0.098(6) Uani 1 1 d G . . . .
H52 H -0.303720 -0.281811 0.109281 0.117 Uiso 1 1 calc R U . . .
C53 C -0.2577(10) -0.2397(8) 0.0671(17) 0.098(6) Uani 1 1 d G . . . .
H53 H -0.242114 -0.265189 0.047051 0.117 Uiso 1 1 calc R U . . .
C54 C -0.2440(9) -0.1926(10) 0.0595(16) 0.098(6) Uani 1 1 d G . . . .
H54 H -0.218957 -0.185834 0.034231 0.117 Uiso 1 1 calc R U . . .
C55 C -0.2861(9) -0.0737(12) -0.0048(12) 0.099(6) Uani 1 1 d G . . . .
C56 C -0.3243(10) -0.0988(10) -0.0341(13) 0.099(6) Uani 1 1 d G . . . .
H56 H -0.332906 -0.126905 -0.010030 0.119 Uiso 1 1 calc R U . . .
C57 C -0.3500(8) -0.0828(11) -0.0987(14) 0.099(6) Uani 1 1 d G . . . .
H57 H -0.376146 -0.099972 -0.118682 0.119 Uiso 1 1 calc R U . . .
C58 C -0.3374(9) -0.0417(11) -0.1339(12) 0.099(6) Uani 1 1 d G . . . .
H58 H -0.354991 -0.030742 -0.178014 0.119 Uiso 1 1 calc R U . . .
C59 C -0.2992(10) -0.0166(10) -0.1046(13) 0.099(6) Uani 1 1 d G . . . .
H59 H -0.290596 0.011555 -0.128694 0.119 Uiso 1 1 calc R U . . .
C60 C -0.2735(8) -0.0325(12) -0.0401(14) 0.099(6) Uani 1 1 d G . . . .
H60 H -0.247356 -0.015377 -0.020042 0.119 Uiso 1 1 calc R U . . .
C61 C -0.4159(8) -0.0542(6) 0.0934(10) 0.047(7) Uani 1 1 d G . . . .
C62 C -0.4150(7) -0.0888(7) 0.1486(8) 0.049(7) Uani 1 1 d G . . . .
H62 H -0.404378 -0.080732 0.198590 0.059 Uiso 1 1 calc R U . . .
C63 C -0.4296(8) -0.1351(7) 0.1306(11) 0.067(10) Uani 1 1 d G . . . .
H63 H -0.429011 -0.158776 0.168374 0.080 Uiso 1 1 calc R U . . .
C64 C -0.4452(9) -0.1469(6) 0.0575(13) 0.079(11) Uani 1 1 d G . . . .
H64 H -0.455163 -0.178599 0.045200 0.094 Uiso 1 1 calc R U . . .
C65 C -0.4461(9) -0.1123(8) 0.0022(9) 0.074(10) Uani 1 1 d G . . . .
H65 H -0.456682 -0.120377 -0.047758 0.089 Uiso 1 1 calc R U . . .
C66 C -0.4314(9) -0.0660(7) 0.0202(9) 0.070(10) Uani 1 1 d G . . . .
H66 H -0.432049 -0.042332 -0.017543 0.084 Uiso 1 1 calc R U . . .
C67 C -0.3962(14) 0.0412(16) 0.038(2) 0.076(5) Uani 1 1 d . . . . .
C68 C -0.3566(14) 0.0508(15) 0.019(2) 0.076(5) Uani 1 1 d . . . . .
H68 H -0.330531 0.042367 0.052135 0.091 Uiso 1 1 calc R U . . .
C69 C -0.3520(14) 0.0718(15) -0.043(2) 0.076(5) Uani 1 1 d . . . . .
H69 H -0.324240 0.070074 -0.062746 0.091 Uiso 1 1 calc R U . . .
C70 C -0.3910(13) 0.0985(16) -0.084(2) 0.076(5) Uani 1 1 d . . . . .
H70 H -0.387352 0.122409 -0.120115 0.091 Uiso 1 1 calc R U . . .
C71 C -0.4319(14) 0.0861(15) -0.066(2) 0.076(5) Uani 1 1 d . . . . .
H71 H -0.458735 0.095936 -0.095744 0.091 Uiso 1 1 calc R U . . .
C72 C -0.4333(14) 0.0591(15) -0.004(2) 0.076(5) Uani 1 1 d . . . . .
H72 H -0.461905 0.052485 0.010768 0.091 Uiso 1 1 calc R U . . .
C73 C -0.4494(10) 0.0309(11) 0.1553(15) 0.042(5) Uani 1 1 d . . . . .
C74 C -0.4905(10) 0.0097(13) 0.1542(16) 0.049(6) Uani 1 1 d . . . . .
H74 H -0.493609 -0.022940 0.139387 0.058 Uiso 1 1 calc R U . . .
C75 C -0.5281(12) 0.0334(14) 0.1737(17) 0.058(7) Uani 1 1 d . . . . .
H75 H -0.556272 0.017512 0.169623 0.069 Uiso 1 1 calc R U . . .
C76 C -0.5243(13) 0.0788(15) 0.1983(17) 0.064(8) Uani 1 1 d . . . . .
H76 H -0.549883 0.094607 0.212387 0.076 Uiso 1 1 calc R U . . .
C77 C -0.4835(12) 0.1032(14) 0.2035(19) 0.062(8) Uani 1 1 d . . . . .
H77 H -0.481118 0.135311 0.220972 0.075 Uiso 1 1 calc R U . . .
C78 C -0.4475(13) 0.0803(14) 0.183(2) 0.074(10) Uani 1 1 d . . . . .
H78 H -0.419694 0.096951 0.187161 0.089 Uiso 1 1 calc R U . . .
C79 C -0.4499(11) -0.0267(11) 0.3693(16) 0.045(6) Uani 1 1 d . . . . .
C80 C -0.4452(12) -0.0718(14) 0.341(3) 0.077(12) Uani 1 1 d . . . . .
H80 H -0.416043 -0.085661 0.348762 0.092 Uiso 1 1 calc R U . . .
C81 C -0.4778(13) -0.0981(15) 0.303(2) 0.073(10) Uani 1 1 d . . . . .
H81 H -0.471987 -0.128839 0.283851 0.087 Uiso 1 1 calc R U . . .
C82 C -0.5213(12) -0.0777(13) 0.2936(17) 0.056(7) Uani 1 1 d . . . . .
H82 H -0.545634 -0.095010 0.267247 0.067 Uiso 1 1 calc R U . . .
C83 C -0.5287(11) -0.0332(13) 0.3220(15) 0.050(7) Uani 1 1 d . . . . .
H83 H -0.558200 -0.020313 0.315215 0.060 Uiso 1 1 calc R U . . .
C84 C -0.4937(10) -0.0064(11) 0.3606(15) 0.043(6) Uani 1 1 d . . . . .
H84 H -0.499118 0.024340 0.380231 0.051 Uiso 1 1 calc R U . . .
C85 C -0.4205(11) 0.0618(11) 0.4401(17) 0.047(7) Uani 1 1 d . . . . .
C86 C -0.4214(14) 0.0946(13) 0.3847(19) 0.071(12) Uani 1 1 d . . . . .
H86 H -0.413218 0.084880 0.338338 0.085 Uiso 1 1 calc R U . . .
C87 C -0.4335(15) 0.1404(14) 0.393(2) 0.079(13) Uani 1 1 d . . . . .
H87 H -0.431923 0.162656 0.354295 0.094 Uiso 1 1 calc R U . . .
C88 C -0.4485(16) 0.1561(12) 0.459(2) 0.076(12) Uani 1 1 d . . . . .
H88 H -0.458306 0.188137 0.464169 0.091 Uiso 1 1 calc R U . . .
C89 C -0.4485(12) 0.1244(11) 0.5149(19) 0.054(8) Uani 1 1 d . . . . .
H89 H -0.457465 0.134633 0.560545 0.065 Uiso 1 1 calc R U . . .
C90 C -0.4354(9) 0.0763(10) 0.5066(16) 0.035(6) Uani 1 1 d . . . . .
H90 H -0.436636 0.054015 0.545771 0.042 Uiso 1 1 calc R U . . .
C91 C -0.3978(10) -0.0302(10) 0.5114(16) 0.039(6) Uani 1 1 d . . . . .
C92 C -0.4342(11) -0.0555(12) 0.5341(15) 0.045(7) Uani 1 1 d . . . . .
H92 H -0.462887 -0.054872 0.504981 0.054 Uiso 1 1 calc R U . . .
C93 C -0.4272(13) -0.0811(12) 0.5997(17) 0.056(8) Uani 1 1 d . . . . .
H93 H -0.451080 -0.099980 0.613687 0.067 Uiso 1 1 calc R U . . .
C94 C -0.3880(12) -0.0803(14) 0.6442(16) 0.060(9) Uani 1 1 d . . . . .
H94 H -0.385004 -0.096273 0.690707 0.072 Uiso 1 1 calc R U . . .
C95 C -0.3517(13) -0.0560(15) 0.6222(18) 0.069(10) Uani 1 1 d . . . . .
H95 H -0.323365 -0.056859 0.652470 0.083 Uiso 1 1 calc R U . . .
C96 C -0.3567(11) -0.0297(13) 0.5538(17) 0.052(8) Uani 1 1 d . . . . .
H96 H -0.332217 -0.012420 0.538491 0.063 Uiso 1 1 calc R U . . .
C97 C -0.2955(9) 0.0873(10) 0.6085(12) 0.081(5) Uani 1 1 d G . . . .
C98 C -0.2813(8) 0.0517(10) 0.6597(14) 0.081(5) Uani 1 1 d G . . . .
H98 H -0.254219 0.034720 0.656085 0.097 Uiso 1 1 calc R U . . .
C99 C -0.3066(9) 0.0409(9) 0.7162(12) 0.081(5) Uani 1 1 d G . . . .
H99 H -0.296867 0.016567 0.751158 0.097 Uiso 1 1 calc R U . . .
C100 C -0.3462(9) 0.0658(10) 0.7214(11) 0.081(5) Uani 1 1 d G . . . .
H100 H -0.363491 0.058400 0.760010 0.097 Uiso 1 1 calc R U . . .
C101 C -0.3604(8) 0.1014(10) 0.6702(14) 0.081(5) Uani 1 1 d G . . . .
H101 H -0.387467 0.118387 0.673788 0.097 Uiso 1 1 calc R U . . .
C102 C -0.3351(9) 0.1122(9) 0.6137(12) 0.081(5) Uani 1 1 d G . . . .
H102 H -0.344819 0.136540 0.578714 0.097 Uiso 1 1 calc R U . . .
C103 C -0.2734(16) 0.1638(10) 0.508(2) 0.156(15) Uani 1 1 d G . . . .
C104 C -0.3133(15) 0.1684(10) 0.461(2) 0.153(18) Uani 1 1 d G . . . .
H104 H -0.329869 0.140579 0.443524 0.183 Uiso 1 1 calc R U . . .
C105 C -0.3289(15) 0.2136(13) 0.438(2) 0.187(19) Uani 1 1 d G . . . .
H105 H -0.356204 0.216711 0.404952 0.225 Uiso 1 1 calc R U . . .
C106 C -0.3047(18) 0.2542(9) 0.463(2) 0.21(3) Uani 1 1 d DG . . . .
H106 H -0.315406 0.285135 0.446950 0.257 Uiso 1 1 calc R U . . .
C107 C -0.2648(17) 0.2496(12) 0.510(2) 0.22(3) Uani 1 1 d G . . . .
H107 H -0.248272 0.277427 0.527521 0.259 Uiso 1 1 calc R U . . .
C108 C -0.2492(14) 0.2044(16) 0.533(2) 0.18(2) Uani 1 1 d G . . . .
H108 H -0.221937 0.201295 0.566094 0.218 Uiso 1 1 calc R U . . .
C109 C -0.2028(10) 0.108(2) 0.5910(19) 0.207(14) Uani 1 1 d G . . . .
C110 C -0.1971(11) 0.128(2) 0.662(2) 0.207(14) Uani 1 1 d G . . . .
H110 H -0.222440 0.139129 0.682681 0.248 Uiso 1 1 calc R U . . .
C111 C -0.1544(13) 0.131(2) 0.7013(16) 0.207(14) Uani 1 1 d G . . . .
H111 H -0.150504 0.145052 0.749497 0.248 Uiso 1 1 calc R U . . .
C112 C -0.1173(10) 0.115(2) 0.6704(19) 0.207(14) Uani 1 1 d G . . . .
H112 H -0.088142 0.117213 0.697491 0.248 Uiso 1 1 calc R U . . .
C113 C -0.1230(11) 0.0948(19) 0.600(2) 0.207(14) Uani 1 1 d G . . . .
H113 H -0.097715 0.083451 0.578669 0.248 Uiso 1 1 calc R U . . .
C114 C -0.1658(13) 0.091(2) 0.5601(17) 0.207(14) Uani 1 1 d G . . . .
H114 H -0.169650 0.077528 0.511851 0.248 Uiso 1 1 calc R U . . .
F1 F 0.5378(14) 0.3303(10) 0.3178(17) 0.158(11) Uani 1 1 d . U . . .
F2 F 0.5313(16) 0.2571(12) 0.3636(18) 0.176(11) Uani 1 1 d . U . . .
F3 F 0.5382(15) 0.2253(10) 0.255(2) 0.165(11) Uani 1 1 d . U . . .
F4 F 0.5906(15) 0.2746(17) 0.310(3) 0.229(14) Uani 1 1 d . U . . .
F5 F 0.4860(12) 0.2825(11) 0.263(2) 0.147(9) Uani 1 1 d . U . . .
F6 F 0.5412(15) 0.3001(12) 0.2046(19) 0.164(11) Uani 1 1 d . U . . .
F7 F 0.0453(18) 0.5771(14) 0.655(3) 0.274(18) Uani 1 1 d D U . . .
F8 F 0.0453(18) 0.6509(19) 0.7104(19) 0.236(16) Uani 1 1 d D U . . .
F9 F 0.0075(18) 0.612(2) 0.5528(18) 0.247(17) Uani 1 1 d D U . . .
F10 F 0.0119(18) 0.6809(13) 0.608(3) 0.234(15) Uani 1 1 d D U . . .
F11 F 0.0767(11) 0.639(2) 0.612(3) 0.261(17) Uani 1 1 d D U . . .
F12 F -0.0167(11) 0.619(2) 0.664(3) 0.278(18) Uani 1 1 d D U . . .
O1 O -0.0320(11) 0.0334(15) 0.378(2) 0.155(13) Uani 1 1 d D . . . .
O2 O -0.0387(11) -0.0579(14) 0.3862(17) 0.135(10) Uani 1 1 d D . . . .
O3 O -0.1492(11) -0.2239(13) 0.2514(19) 0.114(11) Uani 1 1 d D . . . .
O4 O -0.1347(12) -0.2119(14) 0.3932(19) 0.123(12) Uani 1 1 d D . . . .
O5 O -0.1381(12) -0.0759(18) 0.642(2) 0.179(12) Uani 1 1 d D U . . .
O6 O -0.1939(16) -0.1101(17) 0.6788(19) 0.156(12) Uani 1 1 d D U . . .
O7 O -0.3955(12) -0.1676(13) 0.428(2) 0.122(12) Uani 1 1 d D . . . .
O8 O -0.3308(14) -0.2246(10) 0.4165(19) 0.125(11) Uani 1 1 d D . . . .
O9 O -0.1007(13) 0.0472(15) 0.091(2) 0.153(13) Uani 1 1 d D . . . .
O10 O -0.1499(16) 0.1025(19) 0.014(2) 0.200(15) Uani 1 1 d D . . . .
O11 O -0.3542(14) 0.2038(16) 0.108(3) 0.189(14) Uani 1 1 d D U . . .
O12 O -0.2978(17) 0.2275(14) 0.181(3) 0.179(13) Uani 1 1 d D U . . .
O13 O -0.1206(13) 0.2078(13) 0.309(2) 0.137(13) Uani 1 1 d D . . . .
O14 O -0.1340(14) 0.2114(14) 0.4443(19) 0.136(13) Uani 1 1 d D . . . .
P1 P -0.0660(4) -0.0097(7) 0.3745(7) 0.115(5) Uani 1 1 d D . . . .
P2 P -0.1612(5) -0.1909(5) 0.3203(7) 0.094(4) Uani 1 1 d . . . . .
P3 P -0.1831(5) -0.0930(6) 0.6048(6) 0.105(5) Uani 1 1 d D . . . .
P4 P -0.3455(4) -0.1714(3) 0.4055(6) 0.065(3) Uani 1 1 d . . . . .
P5 P -0.1432(6) 0.0781(6) 0.0905(8) 0.119(5) Uani 1 1 d D . . . .
P6 P -0.3212(7) 0.1788(5) 0.1672(7) 0.117(5) Uani 1 1 d D . . . .
P7 P -0.1450(6) 0.1821(6) 0.3708(8) 0.109(4) Uani 1 1 d . . . . .
P8 P -0.2516(3) -0.0938(4) 0.0785(5) 0.066(3) Uani 1 1 d . . . . .
P9 P -0.4015(3) 0.0065(3) 0.1227(4) 0.0398(18) Uani 1 1 d . . . . .
P10 P -0.4034(3) 0.0012(3) 0.4235(4) 0.0386(17) Uani 1 1 d . . . . .
P11 P -0.2578(4) 0.1025(5) 0.5389(6) 0.082(4) Uani 1 1 d . . . . .
P12 P 0.5393(6) 0.2788(4) 0.2842(8) 0.108(4) Uani 1 1 d . U . . .
P13 P 0.0284(8) 0.6289(11) 0.6323(13) 0.179(8) Uani 1 1 d D U . . .
S1 S -0.0940(4) -0.0043(6) 0.2704(7) 0.111(5) Uani 1 1 d . . . . .
S2 S -0.1025(3) -0.0082(6) 0.4599(6) 0.093(4) Uani 1 1 d . . . . .
S3 S -0.2269(4) -0.1908(5) 0.3153(6) 0.090(4) Uani 1 1 d . . . . .
S4 S -0.1332(4) -0.1269(5) 0.3121(6) 0.083(3) Uani 1 1 d . . . . .
S5 S -0.1634(4) -0.1430(5) 0.5362(6) 0.093(4) Uani 1 1 d . . . . .
S6 S -0.2202(6) -0.0413(6) 0.5683(8) 0.123(5) Uani 1 1 d . U . . .
S7 S -0.3037(4) -0.1328(3) 0.4793(5) 0.063(2) Uani 1 1 d . . . . .
S8 S -0.3520(4) -0.1546(3) 0.2989(5) 0.062(2) Uani 1 1 d . . . . .
S9 S -0.1923(4) 0.0305(4) 0.1001(5) 0.083(3) Uani 1 1 d . . . . .
S10 S -0.1324(6) 0.1323(6) 0.1639(9) 0.130(6) Uani 1 1 d . . . . .
S11 S -0.2795(5) 0.1380(4) 0.1160(5) 0.084(4) Uani 1 1 d . . . . .
S12 S -0.3459(4) 0.1590(3) 0.2570(7) 0.083(3) Uani 1 1 d . . . . .
S13 S -0.2102(5) 0.1826(5) 0.3303(7) 0.101(4) Uani 1 1 d . . . . .
S14 S -0.1194(5) 0.1184(6) 0.4002(7) 0.112(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
S12 Ag1 Au1 167.0(3) . . ?
S12 Ag1 Ag2 107.6(3) . . ?
Au1 Ag1 Ag2 60.64(7) . . ?
S12 Ag1 Ag5 120.6(3) . . ?
Au1 Ag1 Ag5 60.88(8) . . ?
Ag2 Ag1 Ag5 62.51(9) . . ?
S12 Ag1 Au3 112.7(3) . . ?
Au1 Ag1 Au3 57.83(6) . . ?
Ag2 Ag1 Au3 61.59(7) . . ?
Ag5 Ag1 Au3 110.75(10) . . ?
S12 Ag1 Au5 134.9(3) . . ?
Au1 Ag1 Au5 57.84(6) . . ?
Ag2 Ag1 Au5 109.11(10) . . ?
Ag5 Ag1 Au5 59.14(7) . . ?
Au3 Ag1 Au5 107.24(8) . . ?
S12 Ag1 Au4 128.8(3) . . ?
Au1 Ag1 Au4 56.70(5) . . ?
Ag2 Ag1 Au4 109.65(9) . . ?
Ag5 Ag1 Au4 107.37(9) . . ?
Au3 Ag1 Au4 60.18(6) . . ?
Au5 Ag1 Au4 58.38(5) . . ?
S11 Ag2 S9 99.7(4) . . ?
S11 Ag2 Au1 145.3(3) . . ?
S9 Ag2 Au1 113.8(3) . . ?
S11 Ag2 Ag1 87.7(3) . . ?
S9 Ag2 Ag1 165.6(3) . . ?
Au1 Ag2 Ag1 57.64(7) . . ?
S11 Ag2 Ag6 143.4(3) . . ?
S9 Ag2 Ag6 58.9(3) . . ?
Au1 Ag2 Ag6 59.02(7) . . ?
Ag1 Ag2 Ag6 108.11(10) . . ?
S11 Ag2 Au3 109.9(3) . . ?
S9 Ag2 Au3 127.4(3) . . ?
Au1 Ag2 Au3 56.34(5) . . ?
Ag1 Ag2 Au3 59.79(7) . . ?
Ag6 Ag2 Au3 106.54(9) . . ?
S11 Ag2 Au2 149.1(3) . . ?
S9 Ag2 Au2 74.6(3) . . ?
Au1 Ag2 Au2 55.67(5) . . ?
Ag1 Ag2 Au2 105.20(9) . . ?
Ag6 Ag2 Au2 59.36(8) . . ?
Au3 Ag2 Au2 57.60(6) . . ?
S11 Ag2 Ag5 104.2(3) . . ?
S9 Ag2 Ag5 106.6(3) . . ?
Au1 Ag2 Ag5 58.82(7) . . ?
Ag1 Ag2 Ag5 59.30(9) . . ?
Ag6 Ag2 Ag5 61.18(9) . . ?
Au3 Ag2 Ag5 106.84(8) . . ?
Au2 Ag2 Ag5 106.61(9) . . ?
S11 Ag2 Ag9 52.7(3) . . ?
S9 Ag2 Ag9 87.2(3) . . ?
Au1 Ag2 Ag9 117.89(11) . . ?
Ag1 Ag2 Ag9 87.48(11) . . ?
Ag6 Ag2 Ag9 94.24(13) . . ?
Au3 Ag2 Ag9 145.12(13) . . ?
Au2 Ag2 Ag9 153.00(14) . . ?
Ag5 Ag2 Ag9 59.21(10) . . ?
S8 Ag3 Au1 174.8(3) . . ?
S8 Ag3 Ag4 117.4(3) . . ?
Au1 Ag3 Ag4 60.09(7) . . ?
S8 Ag3 Ag7 123.0(3) . . ?
Au1 Ag3 Ag7 60.63(8) . . ?
Ag4 Ag3 Ag7 62.44(8) . . ?
S8 Ag3 Au2 127.2(3) . . ?
Au1 Ag3 Au2 57.44(5) . . ?
Ag4 Ag3 Au2 108.68(9) . . ?
Ag7 Ag3 Au2 59.35(7) . . ?
S8 Ag3 Au4 117.6(3) . . ?
Au1 Ag3 Au4 57.31(5) . . ?
Ag4 Ag3 Au4 61.60(7) . . ?
Ag7 Ag3 Au4 110.41(10) . . ?
Au2 Ag3 Au4 105.90(8) . . ?
S8 Ag3 Au3 123.0(3) . . ?
Au1 Ag3 Au3 56.24(5) . . ?
Ag4 Ag3 Au3 108.72(9) . . ?
Ag7 Ag3 Au3 106.75(9) . . ?
Au2 Ag3 Au3 57.60(5) . . ?
Au4 Ag3 Au3 59.30(5) . . ?
S6 Ag4 S7 92.0(5) . . ?
S6 Ag4 Au1 132.4(4) . . ?
S7 Ag4 Au1 135.5(2) . . ?
S6 Ag4 Ag3 169.6(4) . . ?
S7 Ag4 Ag3 78.2(2) . . ?
Au1 Ag4 Ag3 57.69(6) . . ?
S6 Ag4 Ag8 82.0(4) . . ?
S7 Ag4 Ag8 154.6(2) . . ?
Au1 Ag4 Ag8 56.83(7) . . ?
Ag3 Ag4 Ag8 105.40(9) . . ?
S6 Ag4 Au5 83.7(4) . . ?
S7 Ag4 Au5 144.0(2) . . ?
Au1 Ag4 Au5 56.72(6) . . ?
Ag3 Ag4 Au5 106.29(9) . . ?
Ag8 Ag4 Au5 60.19(8) . . ?
S6 Ag4 Ag11 91.1(4) . . ?
S7 Ag4 Ag11 51.3(2) . . ?
Au1 Ag4 Ag11 119.15(10) . . ?
Ag3 Ag4 Ag11 80.11(10) . . ?
Ag8 Ag4 Ag11 103.86(11) . . ?
Au5 Ag4 Ag11 163.70(12) . . ?
S6 Ag4 Au4 126.0(4) . . ?
S7 Ag4 Au4 98.4(2) . . ?
Au1 Ag4 Au4 56.00(5) . . ?
Ag3 Ag4 Au4 59.79(7) . . ?
Ag8 Ag4 Au4 105.19(9) . . ?
Au5 Ag4 Au4 58.03(6) . . ?
Ag11 Ag4 Au4 135.26(12) . . ?
S6 Ag4 Ag7 121.8(4) . . ?
S7 Ag4 Ag7 105.2(2) . . ?
Au1 Ag4 Ag7 58.58(7) . . ?
Ag3 Ag4 Ag7 58.81(8) . . ?
Ag8 Ag4 Ag7 59.16(9) . . ?
Au5 Ag4 Ag7 107.40(9) . . ?
Ag11 Ag4 Ag7 62.56(9) . . ?
Au4 Ag4 Ag7 106.17(8) . . ?
S13 Ag5 Ag8 148.6(3) . . ?
S13 Ag5 Au1 146.6(4) . . ?
Ag8 Ag5 Au1 57.18(8) . . ?
S13 Ag5 Au5 109.3(3) . . ?
Ag8 Ag5 Au5 61.89(8) . . ?
Au1 Ag5 Au5 57.09(6) . . ?
S13 Ag5 Ag1 89.6(4) . . ?
Ag8 Ag5 Ag1 108.09(10) . . ?
Au1 Ag5 Ag1 56.95(7) . . ?
Au5 Ag5 Ag1 60.55(7) . . ?
S13 Ag5 S14 73.9(5) . . ?
Ag8 Ag5 S14 81.2(3) . . ?
Au1 Ag5 S14 138.0(3) . . ?
Au5 Ag5 S14 110.1(3) . . ?
Ag1 Ag5 S14 157.6(3) . . ?
S13 Ag5 Ag9 53.0(3) . . ?
Ag8 Ag5 Ag9 149.43(14) . . ?
Au1 Ag5 Ag9 118.60(12) . . ?
Au5 Ag5 Ag9 145.46(15) . . ?
Ag1 Ag5 Ag9 87.81(13) . . ?
S14 Ag5 Ag9 93.9(3) . . ?
S13 Ag5 Ag6 143.2(3) . . ?
Ag8 Ag5 Ag6 58.21(9) . . ?
Au1 Ag5 Ag6 57.46(7) . . ?
Au5 Ag5 Ag6 107.17(10) . . ?
Ag1 Ag5 Ag6 104.37(11) . . ?
S14 Ag5 Ag6 97.8(3) . . ?
Ag9 Ag5 Ag6 93.07(11) . . ?
S13 Ag5 Ag2 106.4(3) . . ?
Ag8 Ag5 Ag2 104.96(11) . . ?
Au1 Ag5 Ag2 57.88(7) . . ?
Au5 Ag5 Ag2 106.80(10) . . ?
Ag1 Ag5 Ag2 58.19(8) . . ?
S14 Ag5 Ag2 140.6(3) . . ?
Ag9 Ag5 Ag2 60.87(10) . . ?
Ag6 Ag5 Ag2 57.61(9) . . ?
S13 Ag5 Ag10 94.0(3) . . ?
Ag8 Ag5 Ag10 83.05(14) . . ?
Au1 Ag5 Ag10 114.81(13) . . ?
Au5 Ag5 Ag10 142.86(15) . . ?
Ag1 Ag5 Ag10 150.77(13) . . ?
S14 Ag5 Ag10 48.3(3) . . ?
Ag9 Ag5 Ag10 71.66(15) . . ?
Ag6 Ag5 Ag10 57.83(11) . . ?
Ag2 Ag5 Ag10 93.12(12) . . ?
S1 Ag6 S9 101.0(4) . . ?
S1 Ag6 Au1 146.1(3) . . ?
S9 Ag6 Au1 112.8(3) . . ?
S1 Ag6 Ag8 88.6(3) . . ?
S9 Ag6 Ag8 163.6(3) . . ?
Au1 Ag6 Ag8 57.85(7) . . ?
S1 Ag6 Ag2 147.5(4) . . ?
S9 Ag6 Ag2 57.2(3) . . ?
Au1 Ag6 Ag2 59.67(7) . . ?
Ag8 Ag6 Ag2 108.21(11) . . ?
S1 Ag6 Au2 140.9(4) . . ?
S9 Ag6 Au2 75.2(3) . . ?
Au1 Ag6 Au2 56.77(6) . . ?
Ag8 Ag6 Au2 105.71(9) . . ?
Ag2 Ag6 Au2 62.14(8) . . ?
S1 Ag6 Ag10 54.1(4) . . ?
S9 Ag6 Ag10 89.0(3) . . ?
Au1 Ag6 Ag10 120.99(13) . . ?
Ag8 Ag6 Ag10 85.85(12) . . ?
Ag2 Ag6 Ag10 98.45(15) . . ?
Au2 Ag6 Ag10 159.52(15) . . ?
S1 Ag6 Ag7 102.4(4) . . ?
S9 Ag6 Ag7 129.0(3) . . ?
Au1 Ag6 Ag7 58.79(7) . . ?
Ag8 Ag6 Ag7 60.23(9) . . ?
Ag2 Ag6 Ag7 110.08(10) . . ?
Au2 Ag6 Ag7 58.35(7) . . ?
Ag10 Ag6 Ag7 140.70(14) . . ?
S1 Ag6 Ag5 109.7(4) . . ?
S9 Ag6 Ag5 105.3(3) . . ?
Au1 Ag6 Ag5 59.02(7) . . ?
Ag8 Ag6 Ag5 58.63(9) . . ?
Ag2 Ag6 Ag5 61.21(10) . . ?
Au2 Ag6 Ag5 108.73(10) . . ?
Ag10 Ag6 Ag5 62.50(11) . . ?
Ag7 Ag6 Ag5 108.31(10) . . ?
S4 Ag7 Au1 148.4(3) . . ?
S4 Ag7 Au2 119.7(2) . . ?
Au1 Ag7 Au2 56.95(6) . . ?
S4 Ag7 Ag3 152.9(3) . . ?
Au1 Ag7 Ag3 57.41(7) . . ?
Au2 Ag7 Ag3 60.83(7) . . ?
S4 Ag7 Ag8 100.3(3) . . ?
Au1 Ag7 Ag8 56.73(8) . . ?
Au2 Ag7 Ag8 104.90(10) . . ?
Ag3 Ag7 Ag8 105.66(10) . . ?
S4 Ag7 Ag6 92.3(3) . . ?
Au1 Ag7 Ag6 57.90(8) . . ?
Au2 Ag7 Ag6 59.74(7) . . ?
Ag3 Ag7 Ag6 108.01(10) . . ?
Ag8 Ag7 Ag6 57.81(9) . . ?
S4 Ag7 Ag4 133.0(2) . . ?
Au1 Ag7 Ag4 57.81(7) . . ?
Au2 Ag7 Ag4 106.94(9) . . ?
Ag3 Ag7 Ag4 58.75(8) . . ?
Ag8 Ag7 Ag4 59.56(8) . . ?
Ag6 Ag7 Ag4 106.57(11) . . ?
S4 Ag7 Ag12 53.6(2) . . ?
Au1 Ag7 Ag12 115.54(12) . . ?
Au2 Ag7 Ag12 157.33(13) . . ?
Ag3 Ag7 Ag12 136.57(11) . . ?
Ag8 Ag7 Ag12 60.06(11) . . ?
Ag6 Ag7 Ag12 97.77(12) . . ?
Ag4 Ag7 Ag12 80.92(10) . . ?
S4 Ag7 Ag11 89.6(3) . . ?
Au1 Ag7 Ag11 114.30(10) . . ?
Au2 Ag7 Ag11 135.70(12) . . ?
Ag3 Ag7 Ag11 77.97(10) . . ?
Ag8 Ag7 Ag11 101.05(11) . . ?
Ag6 Ag7 Ag11 158.77(13) . . ?
Ag4 Ag7 Ag11 58.30(9) . . ?
Ag12 Ag7 Ag11 66.68(11) . . ?
S2 Ag8 Au1 166.2(3) . . ?
S2 Ag8 Ag6 106.7(3) . . ?
Au1 Ag8 Ag6 60.49(7) . . ?
S2 Ag8 Ag5 119.1(4) . . ?
Au1 Ag8 Ag5 61.46(8) . . ?
Ag6 Ag8 Ag5 63.15(10) . . ?
S2 Ag8 Ag7 110.5(4) . . ?
Au1 Ag8 Ag7 60.20(7) . . ?
Ag6 Ag8 Ag7 61.96(9) . . ?
Ag5 Ag8 Ag7 113.33(10) . . ?
S2 Ag8 Ag4 127.1(3) . . ?
Au1 Ag8 Ag4 59.49(7) . . ?
Ag6 Ag8 Ag4 111.29(10) . . ?
Ag5 Ag8 Ag4 110.49(11) . . ?
Ag7 Ag8 Ag4 61.29(9) . . ?
S2 Ag8 Au5 135.8(3) . . ?
Au1 Ag8 Au5 57.44(6) . . ?
Ag6 Ag8 Au5 108.85(10) . . ?
Ag5 Ag8 Au5 59.11(8) . . ?
Ag7 Ag8 Au5 108.93(9) . . ?
Ag4 Ag8 Au5 59.99(7) . . ?
S2 Ag8 Ag12 54.7(4) . . ?
Au1 Ag8 Ag12 120.10(13) . . ?
Ag6 Ag8 Ag12 101.38(12) . . ?
Ag5 Ag8 Ag12 162.33(12) . . ?
Ag7 Ag8 Ag12 61.28(10) . . ?
Ag4 Ag8 Ag12 82.36(11) . . ?
Au5 Ag8 Ag12 138.00(12) . . ?
S11 Ag9 S13 120.4(5) . . ?
S11 Ag9 S10 121.9(5) . . ?
S13 Ag9 S10 117.4(5) . . ?
S11 Ag9 Ag5 106.3(3) . . ?
S13 Ag9 Ag5 56.8(3) . . ?
S10 Ag9 Ag5 99.8(4) . . ?
S11 Ag9 Ag2 54.5(3) . . ?
S13 Ag9 Ag2 108.8(3) . . ?
S10 Ag9 Ag2 101.7(4) . . ?
Ag5 Ag9 Ag2 59.92(9) . . ?
S14 Ag10 S10 120.1(6) . . ?
S14 Ag10 S1 118.5(5) . . ?
S10 Ag10 S1 121.4(5) . . ?
S14 Ag10 Ag6 112.1(3) . . ?
S10 Ag10 Ag6 102.1(4) . . ?
S1 Ag10 Ag6 55.9(3) . . ?
S14 Ag10 Ag5 63.6(4) . . ?
S10 Ag10 Ag5 98.0(4) . . ?
S1 Ag10 Ag5 108.8(3) . . ?
Ag6 Ag10 Ag5 59.67(10) . . ?
S7 Ag11 S3 121.0(4) . . ?
S7 Ag11 S5 114.9(4) . . ?
S3 Ag11 S5 123.8(4) . . ?
S7 Ag11 Ag4 60.3(2) . . ?
S3 Ag11 Ag4 116.7(3) . . ?
S5 Ag11 Ag4 95.5(3) . . ?
S7 Ag11 Ag7 109.8(2) . . ?
S3 Ag11 Ag7 64.5(3) . . ?
S5 Ag11 Ag7 102.9(3) . . ?
Ag4 Ag11 Ag7 59.14(9) . . ?
S7 Ag11 Ag12 131.8(3) . . ?
S3 Ag11 Ag12 95.0(3) . . ?
S5 Ag11 Ag12 47.7(3) . . ?
Ag4 Ag11 Ag12 75.79(11) . . ?
Ag7 Ag11 Ag12 55.44(9) . . ?
S5 Ag12 S2 126.7(4) . . ?
S5 Ag12 S4 118.0(5) . . ?
S2 Ag12 S4 115.0(4) . . ?
S5 Ag12 Ag8 118.8(3) . . ?
S2 Ag12 Ag8 53.1(3) . . ?
S4 Ag12 Ag8 100.8(3) . . ?
S5 Ag12 Ag7 106.4(3) . . ?
S2 Ag12 Ag7 106.7(3) . . ?
S4 Ag12 Ag7 55.8(2) . . ?
Ag8 Ag12 Ag7 58.65(9) . . ?
S5 Ag12 Ag11 48.8(3) . . ?
S2 Ag12 Ag11 143.1(3) . . ?
S4 Ag12 Ag11 85.2(3) . . ?
Ag8 Ag12 Ag11 94.43(11) . . ?
Ag7 Ag12 Ag11 57.88(10) . . ?
Au4 Au1 Au2 117.29(5) . . ?
Au4 Au1 Au3 65.27(4) . . ?
Au2 Au1 Au3 63.27(4) . . ?
Au4 Au1 Au5 63.31(4) . . ?
Au2 Au1 Au5 179.34(6) . . ?
Au3 Au1 Au5 117.37(6) . . ?
Au4 Au1 Ag8 118.27(6) . . ?
Au2 Au1 Ag8 114.30(7) . . ?
Au3 Au1 Ag8 176.39(7) . . ?
Au5 Au1 Ag8 65.04(7) . . ?
Au4 Au1 Ag1 65.67(6) . . ?
Au2 Au1 Ag1 116.46(6) . . ?
Au3 Au1 Ag1 63.88(6) . . ?
Au5 Au1 Ag1 63.98(6) . . ?
Ag8 Au1 Ag1 116.37(9) . . ?
Au4 Au1 Ag3 64.37(6) . . ?
Au2 Au1 Ag3 64.24(6) . . ?
Au3 Au1 Ag3 67.03(6) . . ?
Au5 Au1 Ag3 116.05(6) . . ?
Ag8 Au1 Ag3 114.75(9) . . ?
Ag1 Au1 Ag3 120.36(8) . . ?
Au4 Au1 Ag6 179.07(8) . . ?
Au2 Au1 Ag6 63.32(6) . . ?
Au3 Au1 Ag6 114.78(6) . . ?
Au5 Au1 Ag6 116.09(7) . . ?
Ag8 Au1 Ag6 61.67(7) . . ?
Ag1 Au1 Ag6 113.47(9) . . ?
Ag3 Au1 Ag6 116.53(9) . . ?
Au4 Au1 Ag4 64.71(6) . . ?
Au2 Au1 Ag4 116.06(7) . . ?
Au3 Au1 Ag4 119.60(7) . . ?
Au5 Au1 Ag4 63.83(6) . . ?
Ag8 Au1 Ag4 63.68(8) . . ?
Ag1 Au1 Ag4 119.31(8) . . ?
Ag3 Au1 Ag4 62.22(7) . . ?
Ag6 Au1 Ag4 115.78(8) . . ?
Au4 Au1 Ag2 118.17(7) . . ?
Au2 Au1 Ag2 65.02(6) . . ?
Au3 Au1 Ag2 63.98(6) . . ?
Au5 Au1 Ag2 115.05(7) . . ?
Ag8 Au1 Ag2 112.74(8) . . ?
Ag1 Au1 Ag2 61.73(7) . . ?
Ag3 Au1 Ag2 120.63(8) . . ?
Ag6 Au1 Ag2 61.32(8) . . ?
Ag4 Au1 Ag2 176.42(9) . . ?
Au4 Au1 Ag7 117.55(7) . . ?
Au2 Au1 Ag7 61.95(6) . . ?
Au3 Au1 Ag7 116.46(7) . . ?
Au5 Au1 Ag7 117.59(7) . . ?
Ag8 Au1 Ag7 63.07(9) . . ?
Ag1 Au1 Ag7 176.73(8) . . ?
Ag3 Au1 Ag7 61.96(8) . . ?
Ag6 Au1 Ag7 63.32(8) . . ?
Ag4 Au1 Ag7 63.60(7) . . ?
Ag2 Au1 Ag7 115.27(8) . . ?
Au4 Au1 Ag5 115.59(7) . . ?
Au2 Au1 Ag5 118.20(7) . . ?
Au3 Au1 Ag5 116.94(8) . . ?
Au5 Au1 Ag5 61.47(6) . . ?
Ag8 Au1 Ag5 61.36(9) . . ?
Ag1 Au1 Ag5 62.17(9) . . ?
Ag3 Au1 Ag5 175.84(9) . . ?
Ag6 Au1 Ag5 63.52(9) . . ?
Ag4 Au1 Ag5 113.80(8) . . ?
Ag2 Au1 Ag5 63.30(8) . . ?
Ag7 Au1 Ag5 115.68(9) . . ?
P8 Au2 Au1 174.4(3) . . ?
P8 Au2 Au3 127.0(3) . . ?
Au1 Au2 Au3 58.56(4) . . ?
P8 Au2 Ag7 113.8(3) . . ?
Au1 Au2 Ag7 61.10(6) . . ?
Au3 Au2 Ag7 111.75(6) . . ?
P8 Au2 Ag6 116.2(3) . . ?
Au1 Au2 Ag6 59.91(6) . . ?
Au3 Au2 Ag6 108.24(7) . . ?
Ag7 Au2 Ag6 61.91(8) . . ?
P8 Au2 Ag3 122.1(3) . . ?
Au1 Au2 Ag3 58.33(6) . . ?
Au3 Au2 Ag3 63.28(6) . . ?
Ag7 Au2 Ag3 59.81(7) . . ?
Ag6 Au2 Ag3 108.92(7) . . ?
P8 Au2 Ag2 123.0(3) . . ?
Au1 Au2 Ag2 59.31(5) . . ?
Au3 Au2 Ag2 60.55(6) . . ?
Ag7 Au2 Ag2 110.00(8) . . ?
Ag6 Au2 Ag2 58.49(8) . . ?
Ag3 Au2 Ag2 110.70(7) . . ?
P9 Au3 Au1 179.4(2) . . ?
P9 Au3 Au2 121.3(2) . . ?
Au1 Au3 Au2 58.16(4) . . ?
P9 Au3 Ag1 122.3(2) . . ?
Au1 Au3 Ag1 58.29(6) . . ?
Au2 Au3 Ag1 107.63(7) . . ?
P9 Au3 Au4 123.12(19) . . ?
Au1 Au3 Au4 57.12(4) . . ?
Au2 Au3 Au4 106.40(5) . . ?
Ag1 Au3 Au4 61.00(5) . . ?
P9 Au3 Ag2 120.4(2) . . ?
Au1 Au3 Ag2 59.67(6) . . ?
Au2 Au3 Ag2 61.84(6) . . ?
Ag1 Au3 Ag2 58.62(7) . . ?
Au4 Au3 Ag2 107.94(6) . . ?
P9 Au3 Ag3 122.9(2) . . ?
Au1 Au3 Ag3 56.72(6) . . ?
Au2 Au3 Ag3 59.12(5) . . ?
Ag1 Au3 Ag3 107.11(7) . . ?
Au4 Au3 Ag3 58.40(5) . . ?
Ag2 Au3 Ag3 108.46(8) . . ?
P10 Au4 Au1 178.6(2) . . ?
P10 Au4 Au5 120.6(2) . . ?
Au1 Au4 Au5 58.66(4) . . ?
P10 Au4 Ag3 121.5(2) . . ?
Au1 Au4 Ag3 58.31(6) . . ?
Au5 Au4 Ag3 107.36(7) . . ?
P10 Au4 Au3 123.73(19) . . ?
Au1 Au4 Au3 57.61(4) . . ?
Au5 Au4 Au3 107.28(5) . . ?
Ag3 Au4 Au3 62.29(5) . . ?
P10 Au4 Ag1 123.3(2) . . ?
Au1 Au4 Ag1 57.63(6) . . ?
Au5 Au4 Ag1 59.79(6) . . ?
Ag3 Au4 Ag1 108.47(7) . . ?
Au3 Au4 Ag1 58.82(5) . . ?
P10 Au4 Ag4 119.3(2) . . ?
Au1 Au4 Ag4 59.29(5) . . ?
Au5 Au4 Ag4 60.53(6) . . ?
Ag3 Au4 Ag4 58.62(7) . . ?
Au3 Au4 Ag4 108.73(6) . . ?
Ag1 Au4 Ag4 108.26(8) . . ?
P11 Au5 Au1 173.3(3) . . ?
P11 Au5 Au4 126.1(3) . . ?
Au1 Au5 Au4 58.03(4) . . ?
P11 Au5 Ag5 112.1(3) . . ?
Au1 Au5 Ag5 61.44(6) . . ?
Au4 Au5 Ag5 111.13(7) . . ?
P11 Au5 Ag1 117.9(4) . . ?
Au1 Au5 Ag1 58.18(6) . . ?
Au4 Au5 Ag1 61.83(6) . . ?
Ag5 Au5 Ag1 60.31(8) . . ?
P11 Au5 Ag4 126.7(3) . . ?
Au1 Au5 Ag4 59.44(6) . . ?
Au4 Au5 Ag4 61.45(6) . . ?
Ag5 Au5 Ag4 110.25(9) . . ?
Ag1 Au5 Ag4 110.59(8) . . ?
P11 Au5 Ag8 121.6(4) . . ?
Au1 Au5 Ag8 57.52(6) . . ?
Au4 Au5 Ag8 107.55(7) . . ?
Ag5 Au5 Ag8 59.00(8) . . ?
Ag1 Au5 Ag8 105.69(7) . . ?
Ag4 Au5 Ag8 59.82(8) . . ?
O1 C1 C2 100(4) . . ?
C3 C2 C1 111(6) . . ?
O2 C4 C5 112(5) . . ?
C6 C5 C4 134(7) . . ?
O3 C7 C8 111(4) . . ?
C7 C8 C9 109(6) . . ?
O4 C10 C11 105(5) . . ?
C12 C11 C10 109(6) . . ?
O5 C13 C14 107(5) . . ?
C13 C14 C15 99.3(9) . . ?
O6 C16 C17 120(6) . . ?
C18 C17 C16 103(6) . . ?
O7 C19 C20 103(4) . . ?
C19 C20 C21 99.3(9) . . ?
O8 C22 C23 108(5) . . ?
C24 C23 C22 148(7) . . ?
O9 C25 C26 119(6) . . ?
C25 C26 C27 102.1(9) . . ?
O10 C28 C29 104.3(10) . . ?
C30 C29 C28 99.3(9) . . ?
O11 C31 C32 91(4) . . ?
C33 C32 C31 101(6) . . ?
O12 C34 C35 106(5) . . ?
C34 C35 C36 112(5) . . ?
O13 C37 C38 103(4) . . ?
C37 C38 C39 99.4(9) . . ?
O14 C40 C41 104.6(10) . . ?
C42 C41 C40 99.4(9) . . ?
C44 C43 C48 120.0 . . ?
C44 C43 P8 117.8(15) . . ?
C48 C43 P8 122.2(15) . . ?
C45 C44 C43 120.0 . . ?
C44 C45 C46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C46 C47 C48 120.0 . . ?
C47 C48 C43 120.0 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 P8 118.0(17) . . ?
C54 C49 P8 122.0(17) . . ?
C51 C50 C49 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C53 C54 C49 120.0 . . ?
C56 C55 C60 120.0 . . ?
C56 C55 P8 121.2(17) . . ?
C60 C55 P8 118.8(17) . . ?
C55 C56 C57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C59 C58 C57 120.0 . . ?
C58 C59 C60 120.0 . . ?
C59 C60 C55 120.0 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 P9 117.0(11) . . ?
C66 C61 P9 122.7(11) . . ?
C61 C62 C63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C65 C64 C63 120.0 . . ?
C64 C65 C66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C68 C67 C72 119(3) . . ?
C68 C67 P9 121(3) . . ?
C72 C67 P9 121(3) . . ?
C69 C68 C67 122(4) . . ?
C68 C69 C70 119(4) . . ?
C71 C70 C69 115(3) . . ?
C70 C71 C72 118(4) . . ?
C71 C72 C67 124(4) . . ?
C74 C73 C78 114(3) . . ?
C74 C73 P9 127(3) . . ?
C78 C73 P9 119(3) . . ?
C73 C74 C75 123(3) . . ?
C76 C75 C74 120(4) . . ?
C75 C76 C77 121(4) . . ?
C78 C77 C76 119(4) . . ?
C77 C78 C73 123(4) . . ?
C80 C79 C84 117(3) . . ?
C80 C79 P10 120(3) . . ?
C84 C79 P10 122(2) . . ?
C81 C80 C79 126(4) . . ?
C80 C81 C82 116(4) . . ?
C83 C82 C81 121(3) . . ?
C82 C83 C84 122(3) . . ?
C83 C84 C79 118(3) . . ?
C86 C85 C90 118(3) . . ?
C86 C85 P10 119(2) . . ?
C90 C85 P10 123(2) . . ?
C87 C86 C85 122(3) . . ?
C86 C87 C88 121(3) . . ?
C89 C88 C87 118(3) . . ?
C88 C89 C90 121(3) . . ?
C85 C90 C89 119(3) . . ?
C96 C91 C92 121(3) . . ?
C96 C91 P10 118(2) . . ?
C92 C91 P10 121(2) . . ?
C93 C92 C91 118(3) . . ?
C94 C93 C92 122(3) . . ?
C93 C94 C95 120(3) . . ?
C94 C95 C96 120(3) . . ?
C91 C96 C95 118(3) . . ?
C98 C97 C102 120.0 . . ?
C98 C97 P11 117.3(17) . . ?
C102 C97 P11 122.5(17) . . ?
C99 C98 C97 120.0 . . ?
C98 C99 C100 120.0 . . ?
C101 C100 C99 120.0 . . ?
C102 C101 C100 120.0 . . ?
C101 C102 C97 120.0 . . ?
C104 C103 C108 120.0 . . ?
C104 C103 P11 116(3) . . ?
C108 C103 P11 124(3) . . ?
C105 C104 C103 120.0 . . ?
C104 C105 C106 120.0 . . ?
C107 C106 C105 120.0 . . ?
C106 C107 C108 120.0 . . ?
C107 C108 C103 120.0 . . ?
C110 C109 C114 120.0 . . ?
C110 C109 P11 121(2) . . ?
C114 C109 P11 119(2) . . ?
C111 C110 C109 120.0 . . ?
C110 C111 C112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C112 C113 C114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C1 O1 P1 132(4) . . ?
C4 O2 P1 131(4) . . ?
C7 O3 P2 126(3) . . ?
C10 O4 P2 123(4) . . ?
C13 O5 P3 123(5) . . ?
C16 O6 P3 110(4) . . ?
C19 O7 P4 105(3) . . ?
C22 O8 P4 132(4) . . ?
C25 O9 P5 130(5) . . ?
C28 O10 P5 123(6) . . ?
C31 O11 P6 118(2) . . ?
C34 O12 P6 125(5) . . ?
C37 O13 P7 126(3) . . ?
C40 O14 P7 121(3) . . ?
O1 P1 O2 109(2) . . ?
O1 P1 S1 100.2(18) . . ?
O2 P1 S1 110.0(15) . . ?
O1 P1 S2 111.4(16) . . ?
O2 P1 S2 103.9(15) . . ?
S1 P1 S2 122.1(8) . . ?
O4 P2 O3 107.5(19) . . ?
O4 P2 S3 115.7(16) . . ?
O3 P2 S3 106.7(15) . . ?
O4 P2 S4 103.1(18) . . ?
O3 P2 S4 108.0(16) . . ?
S3 P2 S4 115.4(8) . . ?
O6 P3 O5 89(3) . . ?
O6 P3 S6 112(2) . . ?
O5 P3 S6 112(2) . . ?
O6 P3 S5 117(2) . . ?
O5 P3 S5 100.3(19) . . ?
S6 P3 S5 121.3(8) . . ?
O8 P4 O7 107(2) . . ?
O8 P4 S8 109.9(14) . . ?
O7 P4 S8 104.8(14) . . ?
O8 P4 S7 106.3(16) . . ?
O7 P4 S7 108.5(16) . . ?
S8 P4 S7 119.8(6) . . ?
O10 P5 O9 105(2) . . ?
O10 P5 S9 111(2) . . ?
O9 P5 S9 104.4(19) . . ?
O10 P5 S10 105(2) . . ?
O9 P5 S10 111(2) . . ?
S9 P5 S10 119.6(8) . . ?
O11 P6 O12 87(2) . . ?
O11 P6 S12 116(2) . . ?
O12 P6 S12 109(2) . . ?
O11 P6 S11 108(2) . . ?
O12 P6 S11 106(2) . . ?
S12 P6 S11 123.6(7) . . ?
O14 P7 O13 108(2) . . ?
O14 P7 S14 102.1(19) . . ?
O13 P7 S14 113.3(18) . . ?
O14 P7 S13 113.3(19) . . ?
O13 P7 S13 104.8(18) . . ?
S14 P7 S13 115.6(9) . . ?
C43 P8 C49 103.9(16) . . ?
C43 P8 C55 106.3(14) . . ?
C49 P8 C55 105.0(16) . . ?
C43 P8 Au2 114.1(11) . . ?
C49 P8 Au2 112.9(10) . . ?
C55 P8 Au2 113.7(11) . . ?
C73 P9 C61 106.6(14) . . ?
C73 P9 C67 104.0(17) . . ?
C61 P9 C67 106.8(16) . . ?
C73 P9 Au3 115.3(10) . . ?
C61 P9 Au3 109.0(8) . . ?
C67 P9 Au3 114.5(13) . . ?
C79 P10 C85 106.4(16) . . ?
C79 P10 C91 104.7(14) . . ?
C85 P10 C91 107.5(14) . . ?
C79 P10 Au4 114.6(10) . . ?
C85 P10 Au4 109.8(11) . . ?
C91 P10 Au4 113.4(10) . . ?
C109 P11 C103 105(2) . . ?
C109 P11 C97 105.1(17) . . ?
C103 P11 C97 105.3(15) . . ?
C109 P11 Au5 114.1(15) . . ?
C103 P11 Au5 109.8(13) . . ?
C97 P11 Au5 116.4(10) . . ?
F4 P12 F1 92(2) . . ?
F4 P12 F6 99(3) . . ?
F1 P12 F6 91.1(18) . . ?
F4 P12 F3 90(2) . . ?
F1 P12 F3 175(3) . . ?
F6 P12 F3 93(2) . . ?
F4 P12 F5 177(3) . . ?
F1 P12 F5 88(2) . . ?
F6 P12 F5 85(2) . . ?
F3 P12 F5 90(2) . . ?
F4 P12 F2 88(3) . . ?
F1 P12 F2 89(2) . . ?
F6 P12 F2 174(3) . . ?
F3 P12 F2 86.8(19) . . ?
F5 P12 F2 89(2) . . ?
F12 P13 F7 90.0(11) . . ?
F12 P13 F8 86(3) . . ?
F7 P13 F8 94(3) . . ?
F12 P13 F11 172(4) . . ?
F7 P13 F11 87(3) . . ?
F8 P13 F11 87(3) . . ?
F12 P13 F9 91(3) . . ?
F7 P13 F9 92(4) . . ?
F8 P13 F9 173(4) . . ?
F11 P13 F9 96(3) . . ?
F12 P13 F10 91(3) . . ?
F7 P13 F10 179(3) . . ?
F8 P13 F10 87(3) . . ?
F11 P13 F10 92(3) . . ?
F9 P13 F10 87(3) . . ?
P1 S1 Ag10 96.2(8) . . ?
P1 S1 Ag6 117.4(6) . . ?
Ag10 S1 Ag6 70.0(4) . . ?
P1 S2 Ag8 105.2(6) . . ?
P1 S2 Ag12 96.9(7) . . ?
Ag8 S2 Ag12 72.3(3) . . ?
P2 S3 Ag11 97.1(6) . . ?
P2 S4 Ag12 102.4(6) . . ?
P2 S4 Ag7 91.1(6) . . ?
Ag12 S4 Ag7 70.6(3) . . ?
P3 S5 Ag12 100.7(8) . . ?
P3 S5 Ag11 104.1(6) . . ?
Ag12 S5 Ag11 83.5(3) . . ?
P3 S6 Ag4 114.6(8) . . ?
P4 S7 Ag11 100.1(5) . . ?
P4 S7 Ag4 122.3(5) . . ?
Ag11 S7 Ag4 68.4(3) . . ?
P4 S8 Ag3 102.1(5) . . ?
P5 S9 Ag2 116.2(7) . . ?
P5 S9 Ag6 105.0(7) . . ?
Ag2 S9 Ag6 63.9(2) . . ?
P5 S10 Ag10 97.3(8) . . ?
P5 S10 Ag9 106.1(8) . . ?
Ag10 S10 Ag9 89.8(4) . . ?
P6 S11 Ag9 99.0(7) . . ?
P6 S11 Ag2 115.0(5) . . ?
Ag9 S11 Ag2 72.9(3) . . ?
P6 S12 Ag1 105.0(6) . . ?
P7 S13 Ag9 101.4(7) . . ?
P7 S13 Ag5 89.1(7) . . ?
Ag9 S13 Ag5 70.2(3) . . ?
P7 S14 Ag10 100.3(7) . . ?
P7 S14 Ag5 80.7(7) . . ?
Ag10 S14 Ag5 68.1(3) . . ?
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 S12 2.386(10) . ?
Ag1 Au1 2.738(3) . ?
Ag1 Ag2 2.855(3) . ?
Ag1 Ag5 2.889(4) . ?
Ag1 Au3 2.890(3) . ?
Ag1 Au5 2.896(3) . ?
Ag1 Au4 2.954(2) . ?
Ag2 S11 2.562(11) . ?
Ag2 S9 2.688(11) . ?
Ag2 Au1 2.825(2) . ?
Ag2 Ag6 2.872(4) . ?
Ag2 Au3 2.941(3) . ?
Ag2 Au2 2.978(3) . ?
Ag2 Ag5 2.980(4) . ?
Ag2 Ag9 3.008(4) . ?
Ag3 S8 2.416(9) . ?
Ag3 Au1 2.740(3) . ?
Ag3 Ag4 2.868(3) . ?
Ag3 Ag7 2.870(3) . ?
Ag3 Au2 2.899(2) . ?
Ag3 Au4 2.903(3) . ?
Ag3 Au3 3.017(3) . ?
Ag4 S6 2.509(14) . ?
Ag4 S7 2.753(10) . ?
Ag4 Au1 2.810(2) . ?
Ag4 Ag8 2.923(4) . ?
Ag4 Au5 2.929(3) . ?
Ag4 Ag11 2.947(4) . ?
Ag4 Au4 2.955(3) . ?
Ag4 Ag7 2.974(3) . ?
Ag5 S13 2.631(14) . ?
Ag5 Ag8 2.851(4) . ?
Ag5 Au1 2.854(3) . ?
Ag5 Au5 2.855(3) . ?
Ag5 S14 2.956(15) . ?
Ag5 Ag9 2.959(4) . ?
Ag5 Ag6 2.979(4) . ?
Ag5 Ag10 3.062(5) . ?
Ag6 S1 2.576(12) . ?
Ag6 S9 2.739(10) . ?
Ag6 Au1 2.806(3) . ?
Ag6 Ag8 2.838(3) . ?
Ag6 Au2 2.898(3) . ?
Ag6 Ag10 2.922(5) . ?
Ag6 Ag7 2.960(4) . ?
Ag7 S4 2.621(10) . ?
Ag7 Au1 2.833(3) . ?
Ag7 Au2 2.856(3) . ?
Ag7 Ag8 2.911(4) . ?
Ag7 Ag12 2.990(4) . ?
Ag7 Ag11 3.074(4) . ?
Ag8 S2 2.480(10) . ?
Ag8 Au1 2.730(2) . ?
Ag8 Au5 2.934(3) . ?
Ag8 Ag12 2.954(5) . ?
Ag9 S11 2.503(14) . ?
Ag9 S13 2.511(12) . ?
Ag9 S10 2.518(17) . ?
Ag10 S14 2.464(14) . ?
Ag10 S10 2.478(18) . ?
Ag10 S1 2.519(18) . ?
Ag11 S7 2.475(11) . ?
Ag11 S3 2.486(12) . ?
Ag11 S5 2.523(12) . ?
Ag11 Ag12 3.333(5) . ?
Ag12 S5 2.482(13) . ?
Ag12 S2 2.530(16) . ?
Ag12 S4 2.552(11) . ?
Au1 Au4 2.7095(15) . ?
Au1 Au2 2.7128(16) . ?
Au1 Au3 2.7244(15) . ?
Au1 Au5 2.7279(16) . ?
Au2 P8 2.301(10) . ?
Au2 Au3 2.8520(17) . ?
Au3 P9 2.331(7) . ?
Au3 Au4 2.9304(14) . ?
Au4 P10 2.301(8) . ?
Au4 Au5 2.8535(17) . ?
Au5 P11 2.307(10) . ?
C1 O1 1.427(10) . ?
C1 C2 1.540(10) . ?
C2 C3 1.538(10) . ?
C4 O2 1.432(10) . ?
C4 C5 1.539(10) . ?
C5 C6 1.537(10) . ?
C7 O3 1.431(10) . ?
C7 C8 1.540(10) . ?
C8 C9 1.541(10) . ?
C10 O4 1.429(10) . ?
C10 C11 1.541(10) . ?
C11 C12 1.539(10) . ?
C13 O5 1.433(10) . ?
C13 C14 1.541(10) . ?
C14 C15 1.543(10) . ?
C16 O6 1.429(10) . ?
C16 C17 1.542(10) . ?
C17 C18 1.537(10) . ?
C19 O7 1.429(10) . ?
C19 C20 1.539(10) . ?
C20 C21 1.542(10) . ?
C22 O8 1.431(10) . ?
C22 C23 1.540(10) . ?
C23 C24 1.539(10) . ?
C25 O9 1.428(10) . ?
C25 C26 1.540(10) . ?
C26 C27 1.543(10) . ?
C28 O10 1.431(10) . ?
C28 C29 1.542(10) . ?
C29 C30 1.540(10) . ?
C31 O11 1.432(10) . ?
C31 C32 1.540(10) . ?
C32 C33 1.538(10) . ?
C34 O12 1.433(10) . ?
C34 C35 1.538(10) . ?
C35 C36 1.539(10) . ?
C37 O13 1.429(10) . ?
C37 C38 1.540(10) . ?
C38 C39 1.541(10) . ?
C40 O14 1.426(10) . ?
C40 C41 1.542(10) . ?
C41 C42 1.539(10) . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C43 P8 1.78(2) . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C49 P8 1.79(2) . ?
C50 C51 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C55 P8 1.81(2) . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C61 P9 1.810(17) . ?
C62 C63 1.3900 . ?
C63 C64 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C67 C68 1.31(5) . ?
C67 C72 1.36(5) . ?
C67 P9 1.84(3) . ?
C68 C69 1.30(5) . ?
C69 C70 1.50(5) . ?
C70 C71 1.36(5) . ?
C71 C72 1.36(5) . ?
C73 C74 1.37(4) . ?
C73 C78 1.47(5) . ?
C73 P9 1.76(3) . ?
C74 C75 1.39(4) . ?
C75 C76 1.34(5) . ?
C76 C77 1.39(5) . ?
C77 C78 1.35(5) . ?
C79 C80 1.38(5) . ?
C79 C84 1.42(4) . ?
C79 P10 1.78(3) . ?
C80 C81 1.34(5) . ?
C81 C82 1.42(5) . ?
C82 C83 1.37(5) . ?
C83 C84 1.40(4) . ?
C85 C86 1.36(4) . ?
C85 C90 1.40(4) . ?
C85 P10 1.80(3) . ?
C86 C87 1.34(5) . ?
C87 C88 1.40(5) . ?
C88 C89 1.34(5) . ?
C89 C90 1.41(4) . ?
C91 C96 1.37(4) . ?
C91 C92 1.41(4) . ?
C91 P10 1.81(3) . ?
C92 C93 1.38(4) . ?
C93 C94 1.34(5) . ?
C94 C95 1.39(5) . ?
C95 C96 1.44(4) . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C97 P11 1.86(2) . ?
C98 C99 1.3900 . ?
C99 C100 1.3900 . ?
C100 C101 1.3900 . ?
C101 C102 1.3900 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C103 P11 1.84(3) . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 C107 1.3900 . ?
C107 C108 1.3900 . ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C109 P11 1.80(3) . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?
F1 P12 1.56(3) . ?
F2 P12 1.61(4) . ?
F3 P12 1.58(3) . ?
F4 P12 1.55(4) . ?
F5 P12 1.60(4) . ?
F6 P12 1.57(3) . ?
F7 P13 1.568(10) . ?
F8 P13 1.569(10) . ?
F9 P13 1.570(10) . ?
F10 P13 1.574(10) . ?
F11 P13 1.570(10) . ?
F12 P13 1.567(10) . ?
O1 P1 1.57(3) . ?
O2 P1 1.57(3) . ?
O3 P2 1.63(3) . ?
O4 P2 1.57(3) . ?
O5 P3 1.51(3) . ?
O6 P3 1.50(3) . ?
O7 P4 1.61(4) . ?
O8 P4 1.55(3) . ?
O9 P5 1.54(3) . ?
O10 P5 1.54(3) . ?
O11 P6 1.53(3) . ?
O12 P6 1.53(3) . ?
O13 P7 1.59(3) . ?
O14 P7 1.56(3) . ?
P1 S1 1.974(19) . ?
P1 S2 2.015(16) . ?
P2 S3 1.966(18) . ?
P2 S4 1.99(2) . ?
P3 S6 1.89(2) . ?
P3 S5 2.012(19) . ?
P4 S8 1.979(14) . ?
P4 S7 2.022(15) . ?
P5 S9 2.009(19) . ?
P5 S10 2.01(2) . ?
P6 S12 1.962(16) . ?
P6 S11 2.011(18) . ?
P7 S14 1.98(2) . ?
P7 S13 2.00(2) . ?
