#------------------------------------------------------------------------------
#$Date: 2021-02-04 04:50:11 +0200 (Thu, 04 Feb 2021) $
#$Revision: 261491 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/02/1560267.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_1560267
loop_
_publ_author_name
'Lin, Xinzhang'
'Sun, Keju'
'Fu, Xuemei'
'Ren, Xiuqing'
'Yang, Yang'
'Liu, Chao'
'Huang, Jiahui'
_publ_section_title
;
 Correlating Kernel--Shell Structures with Optical Properties of Pt1Ag24
 and Pt1Ag14 Nanoclusters
;
_journal_issue                   3
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2194
_journal_page_last               2201
_journal_paper_doi               10.1021/acs.jpcc.0c10481
_journal_volume                  125
_journal_year                    2021
_chemical_formula_moiety         'C180 H138 Ag14 Cl6 F6 P8 Pt S6'
_chemical_formula_sum            'C180 H138 Ag14 Cl6 F6 P8 Pt S6'
_chemical_formula_weight         4772.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-11-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 127.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   48.002(10)
_cell_length_b                   35.012(7)
_cell_length_c                   30.277(6)
_cell_measurement_reflns_used    317288
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.781
_cell_measurement_theta_min      0.444
_cell_volume                     40185(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77484
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_number            44397
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        27.242
_diffrn_reflns_theta_max         27.134
_diffrn_reflns_theta_min         1.551
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.278
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       block
_exptl_crystal_F_000             18608
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.995
_refine_diff_density_min         -1.810
_refine_diff_density_rms         0.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1822
_refine_ls_number_reflns         44397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1387P)²+214.5885P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1812
_reflns_Friedel_coverage         0.000
_reflns_number_gt                40184
_reflns_number_total             44397
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jp0c10481_si_003.cif
_cod_data_source_block           lxz191128d_sq
_cod_original_cell_volume        40185(19)
_cod_database_code               1560267
_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_max   0.804
_shelx_estimated_absorpt_t_min   0.756
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C48(H48),
  C49(H49), C50(H50), C51(H51), C54(H54), C55(H55), C56(H56), C57(H57),
 C58(H58), C61(H61), C63(H63), C65(H65), C66(H66), C68(H68), C70(H70), C71(H71),
  C72(H72), C74(H74), C75(H75), C77(H77), C80(H80), C81(H81), C82(H82),
 C83(H83), C84(H84), C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90),
  C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C97(H97), C98(H98),
 C99(H99), C100(H100), C101(H101), C102(H102), C104(H104), C105(H105),
 C106(H106), C107(H107), C108(H108), C110(H110), C112(H112), C113(H113),
 C114(H114), C115(H115), C117(H117), C118(H118), C120(H120), C121(H121),
 C122(H122), C123(H123), C125(H125), C126(H126), C127(H127), C128(H128),
 C129(H129), C130(H130), C131(H131), C132(H132), C133(H133), C134(H134),
 C135(H135), C136(H136), C137(H137), C138(H138), C139(H139), C141(H141),
 C142(H142), C143(H143), C144(H144), C146(H146), C147(H147), C149(H149),
 C150(H150), C151(H151), C152(H152), C153(H153), C154(H154), C155(H155),
 C156(H156), C157(H157), C158(H158), C159(H159), C161(H161), C162(H162),
 C163(H163), C164(H164), C165(H165), C166(H166), C167(H167), C168(H168),
 C169(H169), C170(H170), C171(H171), C172(H172), C173(H173), C174(H174),
 C175(H175), C177(H177), C178(H178), C180(H180)
2.b Fitted hexagon refined as free rotating group:
 C10(C11,C12,C13,C14,C15), C17(C18,C19,C20,C21,C22), C23(C24,C25,C26,C27,C28),
 C29(C30,C31,C32,C33,C34), C39(C40,C41,C42,C43,C44), C53(C54,C55,C56,C57,C58),
 C64(C65,C66,C67,C68,C69), C73(C74,C75,C76,C77,C78), C79(C80,C81,C82,C83,C84),
 C103(C104,C105,C106,C107,C108), C110(C111,C112,C113,C114,C115), C124(C125,C126,
 C127,C128,C129), C137(C138,C139,C140,C141,C142), C173(C174,C175,C176,C177,C178)
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Pt1 Pt 0.71593(2) 0.37477(2) 0.71398(2) 0.01624(6) Uani 1 1 d . . . . .
Ag0A Ag 0.72346(2) 0.33433(2) 0.64430(2) 0.02133(8) Uani 1 1 d . . . . .
Ag1A Ag 0.66550(2) 0.43165(2) 0.66510(2) 0.02298(8) Uani 1 1 d . . . . .
Ag4 Ag 0.77719(2) 0.39115(2) 0.81924(2) 0.02316(8) Uani 1 1 d . . . . .
Ag5 Ag 0.76759(2) 0.31963(2) 0.76305(2) 0.02125(8) Uani 1 1 d . . . . .
Ag6 Ag 0.69238(2) 0.30074(2) 0.69332(2) 0.02270(8) Uani 1 1 d . . . . .
Ag7 Ag 0.70690(2) 0.41339(2) 0.78237(2) 0.02305(8) Uani 1 1 d . . . . .
Ag8 Ag 0.74035(2) 0.44926(2) 0.73759(2) 0.02325(9) Uani 1 1 d . . . . .
Ag9 Ag 0.72751(2) 0.33435(2) 0.80260(2) 0.02242(8) Uani 1 1 d . . . . .
Ag10 Ag 0.65429(2) 0.35910(2) 0.60851(2) 0.02365(9) Uani 1 1 d . . . . .
Ag11 Ag 0.77542(2) 0.39145(2) 0.72231(2) 0.02304(8) Uani 1 1 d . . . . .
Ag12 Ag 0.70579(2) 0.41484(2) 0.62707(2) 0.02221(8) Uani 1 1 d . . . . .
Ag1 Ag 0.65536(2) 0.35905(2) 0.70330(2) 0.02474(9) Uani 1 1 d . . . . .
Ag2 Ag 0.60279(2) 0.29292(2) 0.60674(2) 0.03737(11) Uani 1 1 d . . . . .
Ag3 Ag 0.83031(2) 0.45435(2) 0.82235(2) 0.03804(11) Uani 1 1 d . . . . .
Cl1 Cl 0.79639(5) 0.59352(4) 0.77582(8) 0.0481(4) Uani 1 1 d . . . . .
Cl2 Cl 0.63337(6) 0.15716(5) 0.62727(9) 0.0582(5) Uani 1 1 d . . . . .
Cl3 Cl 0.90229(6) 0.41409(7) 0.75988(12) 0.0727(6) Uani 1 1 d . . . . .
Cl4 Cl 0.89049(7) 0.43853(8) 1.02895(9) 0.0849(8) Uani 1 1 d . . . . .
Cl5 Cl 0.52608(5) 0.34722(8) 0.40296(8) 0.0767(7) Uani 1 1 d . . . . .
Cl6 Cl 0.53788(7) 0.32356(9) 0.68822(14) 0.0891(8) Uani 1 1 d . . . . .
S1 S 0.77800(4) 0.50438(4) 0.76017(6) 0.0291(3) Uani 1 1 d . . . . .
S2 S 0.82734(4) 0.42453(4) 0.89989(6) 0.0325(3) Uani 1 1 d . . . . .
S3 S 0.83522(4) 0.40760(4) 0.75833(6) 0.0337(3) Uani 1 1 d . . . . .
S4 S 0.65614(4) 0.24466(4) 0.64908(6) 0.0310(3) Uani 1 1 d . . . . .
S5 S 0.59271(4) 0.34358(4) 0.53289(6) 0.0320(3) Uani 1 1 d . . . . .
S6 S 0.60379(4) 0.32843(5) 0.68593(7) 0.0369(3) Uani 1 1 d . . . . .
P1 P 0.81065(4) 0.26741(4) 0.80058(6) 0.0256(3) Uani 1 1 d . . . . .
P2 P 0.73348(4) 0.29746(4) 0.58624(6) 0.0276(3) Uani 1 1 d . . . . .
P3 P 0.62378(4) 0.48528(4) 0.61702(6) 0.0305(3) Uani 1 1 d . . . . .
P4 P 0.69822(4) 0.45212(4) 0.55178(6) 0.0276(3) Uani 1 1 d . . . . .
P5 P 0.69791(4) 0.44416(4) 0.84469(6) 0.0301(3) Uani 1 1 d . . . . .
P6 P 0.73906(4) 0.29906(4) 0.88292(6) 0.0284(3) Uani 1 1 d . . . . .
P7 P 0.88799(4) 0.49141(5) 0.87679(8) 0.0460(4) Uani 1 1 d . . . . .
P8 P 0.54950(4) 0.24846(5) 0.55835(7) 0.0414(4) Uani 1 1 d . . . . .
F1 F 0.84830(17) 0.52972(17) 0.6372(2) 0.0876(18) Uani 1 1 d . . . . .
F2 F 0.63298(19) 0.16031(19) 0.7930(3) 0.099(2) Uani 1 1 d . . . . .
F3 F 0.80336(17) 0.59213(15) 0.9480(2) 0.0804(17) Uani 1 1 d . . . . .
F4 F 0.5862(2) 0.2510(2) 0.3638(3) 0.116(3) Uani 1 1 d . . . . .
F5 F 0.95272(17) 0.3246(2) 1.0265(3) 0.132(3) Uani 1 1 d . . . . .
F6 F 0.47340(16) 0.4184(2) 0.5298(4) 0.137(3) Uani 1 1 d . . . . .
C1 C 0.79335(15) 0.22780(15) 0.7518(2) 0.0304(11) Uani 1 1 d . . . . .
C2 C 0.85328(15) 0.27775(15) 0.8171(2) 0.0305(11) Uani 1 1 d . . . . .
C3 C 0.86779(18) 0.3632(2) 0.9121(3) 0.0477(16) Uani 1 1 d . . . . .
H3 H 0.850249 0.358395 0.874292 0.057 Uiso 1 1 calc R . . . .
C4 C 0.83784(16) 0.44314(18) 0.7199(3) 0.0355(12) Uani 1 1 d . . . . .
C5 C 0.78357(15) 0.53083(15) 0.8143(2) 0.0318(11) Uani 1 1 d . . . . .
C6 C 0.73586(14) 0.44706(17) 0.5513(2) 0.0297(11) Uani 1 1 d . . . . .
C7 C 0.71129(15) 0.25108(15) 0.5611(2) 0.0298(11) Uani 1 1 d . . . . .
C8 C 0.64976(15) 0.21970(16) 0.6929(3) 0.0357(12) Uani 1 1 d . . . . .
C9 C 0.73573(16) 0.24732(17) 0.8751(2) 0.0330(12) Uani 1 1 d . . . . .
C10 C 0.82412(12) 0.24423(11) 0.86506(14) 0.0331(12) Uani 1 1 d . . . . .
C11 C 0.83349(13) 0.26788(10) 0.90912(18) 0.0446(15) Uani 1 1 d G . . . .
H11 H 0.830621 0.294179 0.903913 0.053 Uiso 1 1 calc R . . . .
C12 C 0.84713(15) 0.25223(16) 0.96097(15) 0.070(3) Uani 1 1 d G . . . .
H12 H 0.853397 0.268059 0.990454 0.084 Uiso 1 1 calc R . . . .
C13 C 0.85142(16) 0.21293(17) 0.96876(16) 0.076(3) Uani 1 1 d G . . . .
H13 H 0.860547 0.202458 1.003450 0.091 Uiso 1 1 calc R . . . .
C14 C 0.84205(16) 0.18927(11) 0.9247(2) 0.066(2) Uani 1 1 d G . . . .
H14 H 0.844921 0.162977 0.929906 0.079 Uiso 1 1 calc R . . . .
C15 C 0.82841(13) 0.20492(10) 0.87285(17) 0.0481(16) Uani 1 1 d G . . . .
H15 H 0.822144 0.189096 0.843365 0.058 Uiso 1 1 calc R . . . .
C16 C 0.86435(15) 0.39424(17) 0.9368(2) 0.0342(12) Uani 1 1 d . . . . .
C17 C 0.70689(10) 0.30997(13) 0.89498(16) 0.0339(12) Uani 1 1 d . . . . .
C18 C 0.67152(11) 0.30770(16) 0.84876(14) 0.0549(18) Uani 1 1 d G . . . .
H18 H 0.665296 0.302361 0.813641 0.066 Uiso 1 1 calc R . . . .
C19 C 0.64546(9) 0.31340(18) 0.85502(19) 0.067(2) Uani 1 1 d G . . . .
H19 H 0.621796 0.311879 0.824097 0.081 Uiso 1 1 calc R . . . .
C20 C 0.65476(12) 0.32138(18) 0.9075(2) 0.068(2) Uani 1 1 d G . . . .
H20 H 0.637327 0.325192 0.911702 0.082 Uiso 1 1 calc R . . . .
C21 C 0.69013(14) 0.32365(17) 0.95374(17) 0.064(2) Uani 1 1 d G . . . .
H21 H 0.696358 0.328987 0.988853 0.077 Uiso 1 1 calc R . . . .
C22 C 0.71619(10) 0.31795(15) 0.94747(14) 0.0482(16) Uani 1 1 d G . . . .
H22 H 0.739858 0.319470 0.978399 0.058 Uiso 1 1 calc R . . . .
C23 C 0.59882(11) 0.48564(13) 0.54121(14) 0.0388(13) Uani 1 1 d . . . . .
C24 C 0.57842(13) 0.45353(12) 0.5126(2) 0.0557(18) Uani 1 1 d G . . . .
H24 H 0.578898 0.432810 0.532224 0.067 Uiso 1 1 calc R . . . .
C25 C 0.55733(13) 0.45240(16) 0.4545(2) 0.069(2) Uani 1 1 d G . . . .
H25 H 0.543683 0.430925 0.435343 0.083 Uiso 1 1 calc R . . . .
C26 C 0.55662(15) 0.4834(2) 0.42512(14) 0.083(3) Uani 1 1 d G . . . .
H26 H 0.542502 0.482621 0.386282 0.100 Uiso 1 1 calc R . . . .
C27 C 0.57701(17) 0.51548(17) 0.4538(2) 0.085(3) Uani 1 1 d G . . . .
H27 H 0.576536 0.536202 0.434102 0.102 Uiso 1 1 calc R . . . .
C28 C 0.59811(14) 0.51661(12) 0.5118(2) 0.0578(19) Uani 1 1 d G . . . .
H28 H 0.611751 0.538087 0.530983 0.069 Uiso 1 1 calc R . . . .
C29 C 0.73147(10) 0.43254(13) 0.91845(13) 0.0358(12) Uani 1 1 d . . . . .
C30 C 0.76630(11) 0.43817(13) 0.93954(17) 0.0481(16) Uani 1 1 d G . . . .
H30 H 0.771395 0.446494 0.916036 0.058 Uiso 1 1 calc R . . . .
C31 C 0.79350(9) 0.43134(15) 0.99575(19) 0.0578(19) Uani 1 1 d G . . . .
H31 H 0.816809 0.435100 1.009851 0.069 Uiso 1 1 calc R . . . .
C32 C 0.78588(12) 0.41889(15) 1.03087(13) 0.060(2) Uani 1 1 d G . . . .
H32 H 0.804089 0.414323 1.068477 0.072 Uiso 1 1 calc R . . . .
C33 C 0.75105(14) 0.41327(15) 1.00979(18) 0.063(2) Uani 1 1 d G . . . .
H33 H 0.745955 0.404939 1.033288 0.075 Uiso 1 1 calc R . . . .
C34 C 0.72384(10) 0.42009(14) 0.95358(19) 0.0508(17) Uani 1 1 d G . . . .
H34 H 0.700541 0.416334 0.939473 0.061 Uiso 1 1 calc R . . . .
C35 C 0.71706(16) 0.32019(15) 0.5197(2) 0.0311(11) Uani 1 1 d . . . . .
C36 C 0.69787(17) 0.23518(17) 0.5864(3) 0.0362(12) Uani 1 1 d . . . . .
H36 H 0.701450 0.247235 0.616909 0.043 Uiso 1 1 calc R . . . .
C37 C 0.81207(17) 0.4710(2) 0.6891(3) 0.0423(14) Uani 1 1 d . . . . .
H37 H 0.791949 0.470060 0.687080 0.051 Uiso 1 1 calc R . . . .
C38 C 0.77989(16) 0.28907(17) 0.6188(2) 0.0331(12) Uani 1 1 d . . . . .
C39 C 0.69974(12) 0.49595(8) 0.84346(16) 0.0322(11) Uani 1 1 d . . . . .
C40 C 0.71281(12) 0.51780(11) 0.89083(13) 0.0414(14) Uani 1 1 d G . . . .
H40 H 0.721993 0.505907 0.924703 0.050 Uiso 1 1 calc R . . . .
C41 C 0.71217(14) 0.55743(10) 0.88758(17) 0.0502(17) Uani 1 1 d G . . . .
H41 H 0.720919 0.572051 0.919278 0.060 Uiso 1 1 calc R . . . .
C42 C 0.69845(17) 0.57521(8) 0.8370(2) 0.062(2) Uani 1 1 d G . . . .
H42 H 0.698020 0.601724 0.834780 0.074 Uiso 1 1 calc R . . . .
C43 C 0.68537(17) 0.55336(12) 0.78958(17) 0.076(3) Uani 1 1 d G . . . .
H43 H 0.676194 0.565254 0.755708 0.092 Uiso 1 1 calc R . . . .
C44 C 0.68602(14) 0.51373(11) 0.79283(14) 0.0536(19) Uani 1 1 d G . . . .
H44 H 0.677268 0.499109 0.761132 0.064 Uiso 1 1 calc R . . . .
C45 C 0.79344(16) 0.56970(16) 0.8236(3) 0.0352(12) Uani 1 1 d . . . . .
C46 C 0.7421(2) 0.23023(19) 0.8411(3) 0.0433(15) Uani 1 1 d . . . . .
H46 H 0.747874 0.245231 0.822440 0.052 Uiso 1 1 calc R . . . .
C47 C 0.76092(18) 0.21229(18) 0.7345(3) 0.0399(13) Uani 1 1 d . . . . .
H47 H 0.748742 0.223774 0.745822 0.048 Uiso 1 1 calc R . . . .
C48 C 0.65274(18) 0.2375(2) 0.7371(3) 0.0443(15) Uani 1 1 d . . . . .
H48 H 0.659126 0.263130 0.744423 0.053 Uiso 1 1 calc R . . . .
C49 C 0.78089(17) 0.51418(18) 0.8540(3) 0.0393(13) Uani 1 1 d . . . . .
H49 H 0.774961 0.488467 0.850298 0.047 Uiso 1 1 calc R . . . .
C50 C 0.80275(19) 0.3194(2) 0.6486(3) 0.0452(15) Uani 1 1 d . . . . .
H50 H 0.794696 0.341370 0.654789 0.054 Uiso 1 1 calc R . . . .
C51 C 0.85740(17) 0.3119(2) 0.7982(3) 0.0448(15) Uani 1 1 d . . . . .
H51 H 0.838439 0.328524 0.776707 0.054 Uiso 1 1 calc R . . . .
C52 C 0.69454(17) 0.50376(17) 0.5537(2) 0.0341(12) Uani 1 1 d . . . . .
C53 C 0.78183(9) 0.30672(11) 0.95123(13) 0.0344(12) Uani 1 1 d . . . . .
C54 C 0.80055(12) 0.33943(11) 0.95814(16) 0.0458(15) Uani 1 1 d G . . . .
H54 H 0.791772 0.355897 0.928149 0.055 Uiso 1 1 calc R . . . .
C55 C 0.83239(12) 0.34752(12) 1.0099(2) 0.062(2) Uani 1 1 d G . . . .
H55 H 0.844916 0.369405 1.014477 0.074 Uiso 1 1 calc R . . . .
C56 C 0.84551(10) 0.32291(15) 1.05468(15) 0.059(2) Uani 1 1 d G . . . .
H56 H 0.866811 0.328328 1.089284 0.071 Uiso 1 1 calc R . . . .
C57 C 0.82679(12) 0.29021(14) 1.04778(14) 0.0554(19) Uani 1 1 d G . . . .
H57 H 0.835563 0.273741 1.077764 0.066 Uiso 1 1 calc R . . . .
C58 C 0.79495(11) 0.28211(11) 0.99605(16) 0.0428(14) Uani 1 1 d G . . . .
H58 H 0.782419 0.260232 0.991436 0.051 Uiso 1 1 calc R . . . .
C59 C 0.65569(17) 0.43579(18) 0.8313(3) 0.0370(13) Uani 1 1 d . . . . .
C60 C 0.89348(19) 0.52900(19) 0.9233(3) 0.0497(17) Uani 1 1 d . . . . .
C61 C 0.6881(2) 0.3511(2) 0.4160(3) 0.0540(19) Uani 1 1 d . . . . .
H61 H 0.678125 0.361230 0.380839 0.065 Uiso 1 1 calc R . . . .
C62 C 0.66049(16) 0.43860(17) 0.4813(2) 0.0341(12) Uani 1 1 d . . . . .
C63 C 0.77521(18) 0.4712(2) 0.5330(3) 0.0433(14) Uani 1 1 d . . . . .
H63 H 0.782275 0.490748 0.521108 0.052 Uiso 1 1 calc R . . . .
C64 C 0.56521(10) 0.35798(14) 0.6410(2) 0.0449(15) Uani 1 1 d . . . . .
C65 C 0.56248(12) 0.38264(15) 0.6026(2) 0.0521(17) Uani 1 1 d G . . . .
H65 H 0.581448 0.385659 0.601833 0.062 Uiso 1 1 calc R . . . .
C66 C 0.53141(15) 0.40279(16) 0.5652(2) 0.073(3) Uani 1 1 d G . . . .
H66 H 0.529586 0.419285 0.539431 0.087 Uiso 1 1 calc R . . . .
C67 C 0.50306(12) 0.3983(2) 0.5662(3) 0.097(4) Uani 1 1 d G . . . .
C68 C 0.50579(12) 0.3736(2) 0.6047(3) 0.089(4) Uani 1 1 d G . . . .
H68 H 0.486823 0.370591 0.605436 0.107 Uiso 1 1 calc R . . . .
C69 C 0.53686(14) 0.35346(17) 0.6421(2) 0.067(2) Uani 1 1 d G . . . .
C70 C 0.78663(19) 0.53428(19) 0.8978(3) 0.0443(15) Uani 1 1 d . . . . .
H70 H 0.783970 0.522834 0.922731 0.053 Uiso 1 1 calc R . . . .
C71 C 0.80990(18) 0.21236(19) 0.7320(3) 0.0421(14) Uani 1 1 d . . . . .
H71 H 0.830770 0.223120 0.741965 0.051 Uiso 1 1 calc R . . . .
C72 C 0.72552(18) 0.22385(18) 0.9008(3) 0.0408(14) Uani 1 1 d . . . . .
H72 H 0.720038 0.234871 0.922549 0.049 Uiso 1 1 calc R . . . .
C73 C 0.59047(11) 0.31540(12) 0.48149(14) 0.0370(13) Uani 1 1 d . . . . .
C74 C 0.61806(10) 0.29107(13) 0.49721(14) 0.0429(14) Uani 1 1 d G . . . .
H74 H 0.637755 0.289366 0.534577 0.051 Uiso 1 1 calc R . . . .
C75 C 0.61621(12) 0.26930(13) 0.4571(2) 0.0552(18) Uani 1 1 d G . . . .
H75 H 0.634668 0.253027 0.467615 0.066 Uiso 1 1 calc R . . . .
C76 C 0.58677(15) 0.27186(15) 0.40125(17) 0.067(2) Uani 1 1 d G . . . .
C77 C 0.55919(12) 0.29618(16) 0.38553(13) 0.069(2) Uani 1 1 d G . . . .
H77 H 0.539491 0.297888 0.348165 0.083 Uiso 1 1 calc R . . . .
C78 C 0.56104(10) 0.31795(13) 0.42565(16) 0.0495(17) Uani 1 1 d G . . . .
C79 C 0.54885(15) 0.21371(13) 0.6028(2) 0.0484(16) Uani 1 1 d . . . . .
C80 C 0.54320(18) 0.17479(14) 0.5917(3) 0.070(2) Uani 1 1 d G . . . .
H80 H 0.540370 0.164778 0.560733 0.084 Uiso 1 1 calc R . . . .
C81 C 0.5418(2) 0.15082(12) 0.6269(3) 0.109(5) Uani 1 1 d G . . . .
H81 H 0.537985 0.124779 0.619430 0.131 Uiso 1 1 calc R . . . .
C82 C 0.5460(2) 0.1658(2) 0.6732(3) 0.093(4) Uani 1 1 d G . . . .
H82 H 0.545032 0.149742 0.696713 0.112 Uiso 1 1 calc R . . . .
C83 C 0.5516(2) 0.2047(2) 0.6843(2) 0.095(4) Uani 1 1 d G . . . .
H83 H 0.554464 0.214705 0.715300 0.114 Uiso 1 1 calc R . . . .
C84 C 0.55307(18) 0.22866(13) 0.6492(2) 0.068(2) Uani 1 1 d G . . . .
H84 H 0.556849 0.254705 0.656603 0.081 Uiso 1 1 calc R . . . .
C85 C 0.8002(2) 0.59022(18) 0.8676(3) 0.0476(16) Uani 1 1 d . . . . .
H85 H 0.806996 0.615698 0.872895 0.057 Uiso 1 1 calc R . . . .
C86 C 0.7400(2) 0.1906(2) 0.8344(4) 0.0545(18) Uani 1 1 d . . . . .
H86 H 0.745191 0.179338 0.812416 0.065 Uiso 1 1 calc R . . . .
C87 C 0.6695(2) 0.5260(2) 0.5083(3) 0.0533(18) Uani 1 1 d . . . . .
H87 H 0.651825 0.514199 0.474683 0.064 Uiso 1 1 calc R . . . .
C88 C 0.8965(2) 0.3392(3) 0.9422(4) 0.067(2) Uani 1 1 d . . . . .
H88 H 0.897633 0.317582 0.925499 0.081 Uiso 1 1 calc R . . . .
C89 C 0.63299(17) 0.4186(2) 0.4742(3) 0.0430(14) Uani 1 1 d . . . . .
H89 H 0.634191 0.411946 0.505115 0.052 Uiso 1 1 calc R . . . .
C90 C 0.75476(19) 0.41340(18) 0.5702(3) 0.0416(14) Uani 1 1 d . . . . .
H90 H 0.748279 0.394147 0.583426 0.050 Uiso 1 1 calc R . . . .
C91 C 0.64030(18) 0.18128(17) 0.6833(3) 0.0424(14) Uani 1 1 d . . . . .
C92 C 0.73756(19) 0.32402(18) 0.5018(3) 0.0401(14) Uani 1 1 d . . . . .
H92 H 0.760962 0.316040 0.524411 0.048 Uiso 1 1 calc R . . . .
C93 C 0.7207(2) 0.5223(2) 0.6038(3) 0.0507(17) Uani 1 1 d . . . . .
H93 H 0.737735 0.507903 0.634856 0.061 Uiso 1 1 calc R . . . .
C94 C 0.6790(2) 0.20118(19) 0.5662(3) 0.0466(15) Uani 1 1 d . . . . .
H94 H 0.669709 0.190817 0.582865 0.056 Uiso 1 1 calc R . . . .
C95 C 0.68286(19) 0.33273(19) 0.4867(3) 0.0424(14) Uani 1 1 d . . . . .
H95 H 0.669663 0.331339 0.499674 0.051 Uiso 1 1 calc R . . . .
C96 C 0.65824(18) 0.4481(2) 0.4345(3) 0.0451(15) Uani 1 1 d . . . . .
H96 H 0.676618 0.461138 0.438664 0.054 Uiso 1 1 calc R . . . .
C97 C 0.7471(2) 0.1800(2) 0.7008(3) 0.0490(16) Uani 1 1 d . . . . .
H97 H 0.726284 0.169156 0.691040 0.059 Uiso 1 1 calc R . . . .
C98 C 0.70586(18) 0.23257(18) 0.5154(3) 0.0391(13) Uani 1 1 d . . . . .
H98 H 0.714907 0.242937 0.498321 0.047 Uiso 1 1 calc R . . . .
C99 C 0.74649(17) 0.47631(19) 0.5327(3) 0.0385(13) Uani 1 1 d . . . . .
H99 H 0.734143 0.499256 0.520059 0.046 Uiso 1 1 calc R . . . .
C100 C 0.6677(2) 0.3475(2) 0.4339(3) 0.0557(19) Uani 1 1 d . . . . .
H100 H 0.644169 0.354915 0.410782 0.067 Uiso 1 1 calc R . . . .
C101 C 0.6465(2) 0.2183(3) 0.7699(3) 0.0560(19) Uani 1 1 d . . . . .
H101 H 0.647960 0.230695 0.798421 0.067 Uiso 1 1 calc R . . . .
C102 C 0.79242(18) 0.25612(19) 0.6111(3) 0.0423(14) Uani 1 1 d . . . . .
H102 H 0.777361 0.235635 0.591274 0.051 Uiso 1 1 calc R . . . .
C103 C 0.54406(12) 0.21821(14) 0.50383(19) 0.0463(15) Uani 1 1 d . . . . .
C104 C 0.51310(10) 0.19843(17) 0.4647(2) 0.073(3) Uani 1 1 d G . . . .
H104 H 0.493810 0.200769 0.464742 0.088 Uiso 1 1 calc R . . . .
C105 C 0.51096(12) 0.17514(18) 0.4255(2) 0.077(3) Uani 1 1 d G . . . .
H105 H 0.490239 0.161906 0.399367 0.093 Uiso 1 1 calc R . . . .
C106 C 0.53978(15) 0.17164(17) 0.4255(2) 0.075(3) Uani 1 1 d G . . . .
H106 H 0.538351 0.156065 0.399287 0.090 Uiso 1 1 calc R . . . .
C107 C 0.57075(12) 0.19143(17) 0.4646(2) 0.063(2) Uani 1 1 d G . . . .
H107 H 0.590035 0.189087 0.464583 0.076 Uiso 1 1 calc R . . . .
C108 C 0.57289(10) 0.21471(14) 0.5038(2) 0.0501(16) Uani 1 1 d G . . . .
H108 H 0.593607 0.227949 0.529959 0.060 Uiso 1 1 calc R . . . .
C109 C 0.8454(2) 0.5008(2) 0.6647(3) 0.0558(19) Uani 1 1 d . . . . .
C110 C 0.62464(9) 0.56588(12) 0.6282(2) 0.0555(19) Uani 1 1 d . . . . .
H110 H 0.600318 0.564443 0.608290 0.067 Uiso 1 1 calc R . . . .
C111 C 0.64406(10) 0.53287(9) 0.63945(19) 0.0345(12) Uani 1 1 d G . . . .
C112 C 0.68040(10) 0.53503(10) 0.6693(2) 0.0435(14) Uani 1 1 d G . . . .
H112 H 0.693395 0.512936 0.676767 0.052 Uiso 1 1 calc R . . . .
C113 C 0.69733(9) 0.57020(13) 0.6879(2) 0.0581(19) Uani 1 1 d G . . . .
H113 H 0.721643 0.571637 0.707804 0.070 Uiso 1 1 calc R . . . .
C114 C 0.67791(14) 0.60321(9) 0.6766(2) 0.063(2) Uani 1 1 d G . . . .
H114 H 0.689230 0.626741 0.689085 0.075 Uiso 1 1 calc R . . . .
C115 C 0.64156(13) 0.60106(9) 0.6468(2) 0.065(2) Uani 1 1 d G . . . .
H115 H 0.628567 0.623145 0.639328 0.078 Uiso 1 1 calc R . . . .
C116 C 0.7964(2) 0.5719(2) 0.9035(3) 0.0503(17) Uani 1 1 d . . . . .
C117 C 0.7224(2) 0.3401(2) 0.4491(3) 0.0474(16) Uani 1 1 d . . . . .
H117 H 0.735853 0.343187 0.436770 0.057 Uiso 1 1 calc R . . . .
C118 C 0.91412(19) 0.2621(2) 0.8617(3) 0.0545(18) Uani 1 1 d . . . . .
H118 H 0.933238 0.245688 0.883359 0.065 Uiso 1 1 calc R . . . .
C119 C 0.86786(17) 0.4463(2) 0.7215(3) 0.0436(15) Uani 1 1 d . . . . .
C120 C 0.7236(2) 0.1847(2) 0.8940(3) 0.0531(18) Uani 1 1 d . . . . .
H120 H 0.717723 0.169438 0.912340 0.064 Uiso 1 1 calc R . . . .
C121 C 0.6280(2) 0.4380(2) 0.3810(3) 0.057(2) Uani 1 1 d . . . . .
H121 H 0.626294 0.444846 0.349764 0.069 Uiso 1 1 calc R . . . .
C122 C 0.91783(19) 0.2960(3) 0.8422(4) 0.062(2) Uani 1 1 d . . . . .
H122 H 0.939260 0.301892 0.849748 0.075 Uiso 1 1 calc R . . . .
C123 C 0.8271(2) 0.2540(2) 0.6329(3) 0.0543(18) Uani 1 1 d . . . . .
H123 H 0.835583 0.231552 0.628533 0.065 Uiso 1 1 calc R . . . .
C124 C 0.50690(10) 0.27319(14) 0.5230(2) 0.0465(15) Uani 1 1 d . . . . .
C125 C 0.48014(13) 0.26026(14) 0.5246(2) 0.062(2) Uani 1 1 d G . . . .
H125 H 0.483290 0.238088 0.544093 0.074 Uiso 1 1 calc R . . . .
C126 C 0.44867(12) 0.28047(19) 0.4970(3) 0.073(3) Uani 1 1 d G . . . .
H126 H 0.430768 0.271821 0.498040 0.088 Uiso 1 1 calc R . . . .
C127 C 0.44396(11) 0.31361(18) 0.4678(3) 0.085(3) Uani 1 1 d G . . . .
H127 H 0.422906 0.327129 0.449358 0.102 Uiso 1 1 calc R . . . .
C128 C 0.47072(15) 0.32653(15) 0.4662(3) 0.081(3) Uani 1 1 d G . . . .
H128 H 0.467567 0.348705 0.446727 0.097 Uiso 1 1 calc R . . . .
C129 C 0.50219(12) 0.30632(15) 0.4938(2) 0.061(2) Uani 1 1 d G . . . .
H129 H 0.520089 0.314972 0.492779 0.074 Uiso 1 1 calc R . . . .
C130 C 0.8774(2) 0.5230(2) 0.9490(4) 0.063(2) Uani 1 1 d . . . . .
H130 H 0.863986 0.501186 0.940777 0.076 Uiso 1 1 calc R . . . .
C131 C 0.8725(3) 0.5407(2) 0.7936(3) 0.059(2) Uani 1 1 d . . . . .
H131 H 0.850491 0.541527 0.785653 0.071 Uiso 1 1 calc R . . . .
C132 C 0.88188(17) 0.2528(2) 0.8490(3) 0.0472(16) Uani 1 1 d . . . . .
H132 H 0.879251 0.229872 0.861627 0.057 Uiso 1 1 calc R . . . .
C133 C 0.7832(2) 0.4077(2) 0.5699(4) 0.0520(17) Uani 1 1 d . . . . .
H133 H 0.795287 0.384531 0.582122 0.062 Uiso 1 1 calc R . . . .
C134 C 0.6359(2) 0.4044(2) 0.8001(3) 0.0515(17) Uani 1 1 d . . . . .
H134 H 0.644031 0.388439 0.785654 0.062 Uiso 1 1 calc R . . . .
C135 C 0.7646(2) 0.1640(2) 0.6818(3) 0.0566(19) Uani 1 1 d . . . . .
H135 H 0.755391 0.142380 0.659168 0.068 Uiso 1 1 calc R . . . .
C136 C 0.7216(3) 0.5615(2) 0.6077(4) 0.060(2) Uani 1 1 d . . . . .
H136 H 0.739173 0.573373 0.641203 0.072 Uiso 1 1 calc R . . . .
C137 C 0.53627(12) 0.4871(2) 0.6375(3) 0.079(3) Uani 1 1 d . . . . .
H137 H 0.518813 0.487240 0.642159 0.095 Uiso 1 1 calc R . . . .
C138 C 0.52974(10) 0.50347(19) 0.5902(2) 0.071(3) Uani 1 1 d G . . . .
H138 H 0.507912 0.514488 0.563056 0.085 Uiso 1 1 calc R . . . .
C139 C 0.55582(12) 0.50332(15) 0.58326(17) 0.0510(17) Uani 1 1 d G . . . .
H139 H 0.551451 0.514242 0.551553 0.061 Uiso 1 1 calc R . . . .
C140 C 0.58844(10) 0.48685(14) 0.62376(19) 0.0389(13) Uani 1 1 d G . . . .
C141 C 0.59497(10) 0.47052(16) 0.67116(18) 0.0537(18) Uani 1 1 d G . . . .
H141 H 0.616791 0.459498 0.698253 0.064 Uiso 1 1 calc R . . . .
C142 C 0.56888(14) 0.4707(2) 0.6780(2) 0.084(3) Uani 1 1 d G . . . .
H142 H 0.573253 0.459744 0.709758 0.101 Uiso 1 1 calc R . . . .
C143 C 0.8380(2) 0.3168(2) 0.6691(3) 0.0549(18) Uani 1 1 d . . . . .
H143 H 0.853335 0.337227 0.688320 0.066 Uiso 1 1 calc R . . . .
C144 C 0.8899(2) 0.3210(2) 0.8116(4) 0.063(2) Uani 1 1 d . . . . .
H144 H 0.892804 0.344169 0.799858 0.075 Uiso 1 1 calc R . . . .
C145 C 0.8990(2) 0.5170(2) 0.8367(3) 0.0532(18) Uani 1 1 d . . . . .
C146 C 0.7937(2) 0.4363(2) 0.5513(3) 0.0519(17) Uani 1 1 d . . . . .
H146 H 0.812784 0.432526 0.550964 0.062 Uiso 1 1 calc R . . . .
C147 C 0.9010(3) 0.5829(3) 0.9983(4) 0.079(3) Uani 1 1 d . . . . .
H147 H 0.903958 0.600532 1.023852 0.095 Uiso 1 1 calc R . . . .
C148 C 0.8923(2) 0.4010(2) 0.9936(3) 0.0499(17) Uani 1 1 d . . . . .
C149 C 0.60328(19) 0.4084(3) 0.4200(3) 0.0574(19) Uani 1 1 d . . . . .
H149 H 0.584892 0.394853 0.415075 0.069 Uiso 1 1 calc R . . . .
C150 C 0.8710(2) 0.4756(2) 0.6935(3) 0.0569(19) Uani 1 1 d . . . . .
H150 H 0.890937 0.477391 0.695278 0.068 Uiso 1 1 calc R . . . .
C151 C 0.6014(2) 0.4184(3) 0.3742(3) 0.058(2) Uani 1 1 d . . . . .
H151 H 0.581669 0.411661 0.338473 0.070 Uiso 1 1 calc R . . . .
C152 C 0.6433(2) 0.4596(2) 0.8522(4) 0.059(2) Uani 1 1 d . . . . .
H152 H 0.656719 0.480601 0.873782 0.071 Uiso 1 1 calc R . . . .
C153 C 0.7955(2) 0.1801(2) 0.6963(4) 0.062(2) Uani 1 1 d . . . . .
H153 H 0.806743 0.169799 0.682670 0.074 Uiso 1 1 calc R . . . .
C154 C 0.6740(2) 0.18263(19) 0.5216(3) 0.0500(16) Uani 1 1 d . . . . .
H154 H 0.661972 0.159483 0.508960 0.060 Uiso 1 1 calc R . . . .
C155 C 0.8152(2) 0.5002(2) 0.6613(3) 0.0560(19) Uani 1 1 d . . . . .
H155 H 0.797697 0.518641 0.641164 0.067 Uiso 1 1 calc R . . . .
C156 C 0.9159(3) 0.5894(2) 0.9712(4) 0.071(3) Uani 1 1 d . . . . .
H156 H 0.928279 0.611840 0.978187 0.086 Uiso 1 1 calc R . . . .
C157 C 0.7304(2) 0.1684(2) 0.8602(4) 0.0561(19) Uani 1 1 d . . . . .
H157 H 0.728355 0.142105 0.854748 0.067 Uiso 1 1 calc R . . . .
C158 C 0.6969(3) 0.5828(2) 0.5629(4) 0.063(2) Uani 1 1 d . . . . .
H158 H 0.697739 0.609286 0.565946 0.076 Uiso 1 1 calc R . . . .
C159 C 0.9124(2) 0.5628(2) 0.9340(4) 0.066(2) Uani 1 1 d . . . . .
H159 H 0.922593 0.567337 0.916382 0.079 Uiso 1 1 calc R . . . .
C160 C 0.6381(2) 0.1797(3) 0.7590(4) 0.069(3) Uani 1 1 d . . . . .
C161 C 0.8497(2) 0.2838(3) 0.6607(4) 0.060(2) Uani 1 1 d . . . . .
H161 H 0.872993 0.281843 0.673938 0.072 Uiso 1 1 calc R . . . .
C162 C 0.6348(2) 0.1610(2) 0.7167(3) 0.063(2) Uani 1 1 d . . . . .
H162 H 0.629053 0.135149 0.710291 0.076 Uiso 1 1 calc R . . . .
C163 C 0.6869(2) 0.19871(19) 0.4958(3) 0.0481(16) Uani 1 1 d . . . . .
H163 H 0.682901 0.186709 0.464945 0.058 Uiso 1 1 calc R . . . .
C164 C 0.5921(2) 0.4205(3) 0.8110(4) 0.068(2) Uani 1 1 d . . . . .
H164 H 0.570942 0.415062 0.804582 0.082 Uiso 1 1 calc R . . . .
C165 C 0.8817(3) 0.5499(3) 0.9867(5) 0.083(3) Uani 1 1 d . . . . .
H165 H 0.871502 0.545546 1.004285 0.100 Uiso 1 1 calc R . . . .
C166 C 0.9306(3) 0.5149(3) 0.8459(5) 0.079(3) Uani 1 1 d . . . . .
H166 H 0.948045 0.498239 0.872571 0.095 Uiso 1 1 calc R . . . .
C167 C 0.9109(4) 0.5602(3) 0.7748(5) 0.095(4) Uani 1 1 d . . . . .
H167 H 0.915267 0.574829 0.753956 0.114 Uiso 1 1 calc R . . . .
C168 C 0.6701(3) 0.5655(2) 0.5119(4) 0.068(2) Uani 1 1 d . . . . .
H168 H 0.653095 0.580221 0.481156 0.081 Uiso 1 1 calc R . . . .
C169 C 0.9225(2) 0.3778(3) 1.0243(4) 0.072(3) Uani 1 1 d . . . . .
H169 H 0.941070 0.382894 1.061576 0.086 Uiso 1 1 calc R . . . .
C170 C 0.6112(2) 0.4528(3) 0.8417(4) 0.072(3) Uani 1 1 d . . . . .
H170 H 0.602627 0.469414 0.854861 0.086 Uiso 1 1 calc R . . . .
C171 C 0.6042(2) 0.3962(3) 0.7899(4) 0.067(2) Uani 1 1 d . . . . .
H171 H 0.591200 0.374780 0.769150 0.080 Uiso 1 1 calc R . . . .
C172 C 0.8790(4) 0.5627(3) 0.7630(5) 0.083(3) Uani 1 1 d . . . . .
H172 H 0.861697 0.578833 0.734903 0.099 Uiso 1 1 calc R . . . .
C173 C 0.98341(13) 0.41161(18) 0.9882(3) 0.107(5) Uani 1 1 d . . . . .
H173 H 1.002586 0.395266 1.009935 0.128 Uiso 1 1 calc R . . . .
C174 C 0.95352(15) 0.39955(14) 0.9365(3) 0.081(3) Uani 1 1 d G . . . .
H174 H 0.952697 0.375128 0.923631 0.097 Uiso 1 1 calc R . . . .
C175 C 0.92486(12) 0.42398(15) 0.9040(2) 0.059(2) Uani 1 1 d G . . . .
H175 H 0.904860 0.415909 0.869356 0.071 Uiso 1 1 calc R . . . .
C176 C 0.92609(12) 0.46048(13) 0.9231(2) 0.059(2) Uani 1 1 d G . . . .
C177 C 0.95598(16) 0.47255(15) 0.9749(3) 0.113(5) Uani 1 1 d G . . . .
H177 H 0.956798 0.496968 0.987689 0.136 Uiso 1 1 calc R . . . .
C178 C 0.98464(15) 0.4481(2) 1.0074(3) 0.152(8) Uani 1 1 d G . . . .
H178 H 1.004636 0.456187 1.041965 0.183 Uiso 1 1 calc R . . . .
C179 C 0.9236(2) 0.3476(3) 0.9970(5) 0.086(3) Uani 1 1 d . . . . .
C180 C 0.9362(4) 0.5382(5) 0.8144(6) 0.112(5) Uani 1 1 d . . . . .
H180 H 0.958075 0.537975 0.821671 0.134 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
Ag0A Pt1 Ag1A 116.49(3) . . ?
Ag0A Pt1 Ag4 116.43(2) . . ?
Ag0A Pt1 Ag5 63.41(3) . . ?
Ag0A Pt1 Ag8 116.767(16) . . ?
Ag0A Pt1 Ag9 115.995(18) . . ?
Ag0A Pt1 Ag10 64.035(19) . . ?
Ag0A Pt1 Ag11 64.14(2) . . ?
Ag0A Pt1 Ag12 63.681(18) . . ?
Ag0A Pt1 Ag1 115.52(2) . . ?
Ag1A Pt1 Ag4 115.55(3) . . ?
Ag1A Pt1 Ag8 63.37(3) . . ?
Ag1A Pt1 Ag9 118.46(2) . . ?
Ag1A Pt1 Ag10 63.85(3) . . ?
Ag1A Pt1 Ag11 114.37(2) . . ?
Ag1A Pt1 Ag1 64.49(2) . . ?
Ag4 Pt1 Ag8 61.574(12) . . ?
Ag4 Pt1 Ag9 63.24(2) . . ?
Ag4 Pt1 Ag10 179.409(13) . . ?
Ag4 Pt1 Ag11 62.81(3) . . ?
Ag4 Pt1 Ag1 118.23(3) . . ?
Ag5 Pt1 Ag1A 178.296(12) . . ?
Ag5 Pt1 Ag4 63.49(3) . . ?
Ag5 Pt1 Ag8 115.04(3) . . ?
Ag5 Pt1 Ag9 62.59(2) . . ?
Ag5 Pt1 Ag10 117.10(3) . . ?
Ag5 Pt1 Ag11 63.98(2) . . ?
Ag5 Pt1 Ag1 117.17(2) . . ?
Ag6 Pt1 Ag0A 64.340(15) . . ?
Ag6 Pt1 Ag1A 117.16(3) . . ?
Ag6 Pt1 Ag4 117.219(13) . . ?
Ag6 Pt1 Ag5 64.44(2) . . ?
Ag6 Pt1 Ag8 178.563(12) . . ?
Ag6 Pt1 Ag9 63.13(2) . . ?
Ag6 Pt1 Ag10 63.262(12) . . ?
Ag6 Pt1 Ag11 118.526(14) . . ?
Ag6 Pt1 Ag12 117.25(2) . . ?
Ag6 Pt1 Ag1 61.987(13) . . ?
Ag7 Pt1 Ag0A 178.263(13) . . ?
Ag7 Pt1 Ag1A 63.44(3) . . ?
Ag7 Pt1 Ag4 64.71(2) . . ?
Ag7 Pt1 Ag5 116.71(3) . . ?
Ag7 Pt1 Ag6 114.044(16) . . ?
Ag7 Pt1 Ag8 64.860(16) . . ?
Ag7 Pt1 Ag9 63.126(18) . . ?
Ag7 Pt1 Ag10 114.83(2) . . ?
Ag7 Pt1 Ag11 117.55(2) . . ?
Ag7 Pt1 Ag12 117.227(19) . . ?
Ag7 Pt1 Ag1 62.80(2) . . ?
Ag8 Pt1 Ag9 115.43(2) . . ?
Ag8 Pt1 Ag10 117.939(13) . . ?
Ag8 Pt1 Ag11 61.853(13) . . ?
Ag8 Pt1 Ag1 117.669(14) . . ?
Ag9 Pt1 Ag1 65.50(3) . . ?
Ag10 Pt1 Ag9 116.96(2) . . ?
Ag10 Pt1 Ag11 117.35(3) . . ?
Ag10 Pt1 Ag1 61.60(3) . . ?
Ag11 Pt1 Ag9 115.85(3) . . ?
Ag11 Pt1 Ag1 178.643(13) . . ?
Ag12 Pt1 Ag1A 62.39(2) . . ?
Ag12 Pt1 Ag4 115.87(2) . . ?
Ag12 Pt1 Ag5 116.54(2) . . ?
Ag12 Pt1 Ag8 64.19(2) . . ?
Ag12 Pt1 Ag9 178.912(13) . . ?
Ag12 Pt1 Ag10 63.93(2) . . ?
Ag12 Pt1 Ag11 63.06(3) . . ?
Ag12 Pt1 Ag1 115.59(3) . . ?
Pt1 Ag0A Ag5 58.422(17) . . ?
Pt1 Ag0A Ag6 57.820(17) . . ?
Pt1 Ag0A Ag10 58.40(3) . . ?
Pt1 Ag0A Ag11 58.390(18) . . ?
Pt1 Ag0A Ag12 58.264(14) . . ?
Ag5 Ag0A Ag6 60.57(2) . . ?
Ag5 Ag0A Ag10 108.27(4) . . ?
Ag5 Ag0A Ag11 60.39(3) . . ?
Ag5 Ag0A Ag12 107.923(15) . . ?
Ag6 Ag0A Ag10 59.29(2) . . ?
Ag6 Ag0A Ag11 108.24(2) . . ?
Ag10 Ag0A Ag11 107.96(3) . . ?
Ag12 Ag0A Ag6 107.385(16) . . ?
Ag12 Ag0A Ag10 60.256(13) . . ?
Ag12 Ag0A Ag11 59.41(3) . . ?
P2 Ag0A Pt1 176.94(4) . . ?
P2 Ag0A Ag5 118.79(4) . . ?
P2 Ag0A Ag6 122.54(4) . . ?
P2 Ag0A Ag10 124.60(5) . . ?
P2 Ag0A Ag11 119.52(4) . . ?
P2 Ag0A Ag12 123.17(4) . . ?
Pt1 Ag1A Ag7 57.61(2) . . ?
Pt1 Ag1A Ag8 58.43(2) . . ?
Pt1 Ag1A Ag10 58.19(3) . . ?
Pt1 Ag1A Ag12 58.604(15) . . ?
Pt1 Ag1A Ag1 58.008(16) . . ?
Ag7 Ag1A Ag8 61.16(3) . . ?
Ag7 Ag1A Ag10 105.61(2) . . ?
Ag7 Ag1A Ag1 58.766(16) . . ?
Ag8 Ag1A Ag10 108.96(2) . . ?
Ag8 Ag1A Ag1 108.14(2) . . ?
Ag10 Ag1A Ag1 57.757(19) . . ?
Ag12 Ag1A Ag7 108.99(3) . . ?
Ag12 Ag1A Ag8 61.19(2) . . ?
Ag12 Ag1A Ag10 60.720(16) . . ?
Ag12 Ag1A Ag1 107.193(18) . . ?
P3 Ag1A Pt1 173.45(4) . . ?
P3 Ag1A Ag7 126.36(4) . . ?
P3 Ag1A Ag8 117.70(4) . . ?
P3 Ag1A Ag10 121.67(5) . . ?
P3 Ag1A Ag12 115.14(4) . . ?
P3 Ag1A Ag1 128.12(4) . . ?
Pt1 Ag4 Ag5 58.038(13) . . ?
Pt1 Ag4 Ag7 56.95(3) . . ?
Pt1 Ag4 Ag8 59.29(3) . . ?
Pt1 Ag4 Ag9 58.517(19) . . ?
Pt1 Ag4 Ag11 58.72(2) . . ?
Pt1 Ag4 Ag3 115.13(2) . . ?
Ag5 Ag4 Ag7 105.90(3) . . ?
Ag5 Ag4 Ag9 59.248(19) . . ?
Ag5 Ag4 Ag3 115.65(2) . . ?
Ag7 Ag4 Ag3 121.04(2) . . ?
Ag8 Ag4 Ag5 108.59(3) . . ?
Ag8 Ag4 Ag7 61.36(2) . . ?
Ag8 Ag4 Ag9 109.53(3) . . ?
Ag8 Ag4 Ag11 59.736(19) . . ?
Ag8 Ag4 Ag3 66.73(3) . . ?
Ag9 Ag4 Ag7 59.019(19) . . ?
Ag9 Ag4 Ag3 173.045(17) . . ?
Ag11 Ag4 Ag5 60.743(15) . . ?
Ag11 Ag4 Ag7 107.62(4) . . ?
Ag11 Ag4 Ag9 108.53(3) . . ?
Ag11 Ag4 Ag3 64.58(3) . . ?
S2 Ag4 Pt1 162.87(4) . . ?
S2 Ag4 Ag5 135.00(4) . . ?
S2 Ag4 Ag7 116.97(4) . . ?
S2 Ag4 Ag8 103.59(5) . . ?
S2 Ag4 Ag9 134.88(4) . . ?
S2 Ag4 Ag11 114.41(4) . . ?
S2 Ag4 Ag3 51.96(4) . . ?
Pt1 Ag5 Ag0A 58.17(2) . . ?
Pt1 Ag5 Ag4 58.47(3) . . ?
Pt1 Ag5 Ag6 57.64(2) . . ?
Pt1 Ag5 Ag9 59.063(16) . . ?
Pt1 Ag5 Ag11 58.347(16) . . ?
Ag0A Ag5 Ag4 107.92(2) . . ?
Ag0A Ag5 Ag6 60.28(3) . . ?
Ag0A Ag5 Ag11 60.490(15) . . ?
Ag4 Ag5 Ag6 107.44(2) . . ?
Ag4 Ag5 Ag11 59.333(18) . . ?
Ag9 Ag5 Ag0A 108.68(3) . . ?
Ag9 Ag5 Ag4 60.390(16) . . ?
Ag9 Ag5 Ag6 59.71(2) . . ?
Ag9 Ag5 Ag11 108.310(18) . . ?
Ag11 Ag5 Ag6 108.09(2) . . ?
P1 Ag5 Pt1 175.67(4) . . ?
P1 Ag5 Ag0A 118.40(4) . . ?
P1 Ag5 Ag4 125.86(4) . . ?
P1 Ag5 Ag6 118.76(4) . . ?
P1 Ag5 Ag9 122.04(4) . . ?
P1 Ag5 Ag11 123.10(4) . . ?
Pt1 Ag6 Ag0A 57.841(12) . . ?
Pt1 Ag6 Ag5 57.914(10) . . ?
Pt1 Ag6 Ag9 58.931(13) . . ?
Pt1 Ag6 Ag10 58.80(3) . . ?
Pt1 Ag6 Ag1 59.591(17) . . ?
Ag0A Ag6 Ag5 59.15(2) . . ?
Ag9 Ag6 Ag0A 107.28(2) . . ?
Ag9 Ag6 Ag5 59.11(3) . . ?
Ag9 Ag6 Ag10 109.67(3) . . ?
Ag10 Ag6 Ag0A 60.376(19) . . ?
Ag10 Ag6 Ag5 108.01(3) . . ?
Ag1 Ag6 Ag0A 108.21(2) . . ?
Ag1 Ag6 Ag5 109.63(2) . . ?
Ag1 Ag6 Ag9 63.19(3) . . ?
Ag1 Ag6 Ag10 59.371(19) . . ?
S4 Ag6 Pt1 162.20(4) . . ?
S4 Ag6 Ag0A 117.71(4) . . ?
S4 Ag6 Ag5 137.26(4) . . ?
S4 Ag6 Ag9 133.13(4) . . ?
S4 Ag6 Ag10 103.56(5) . . ?
S4 Ag6 Ag1 111.03(4) . . ?
Pt1 Ag7 Ag1A 58.948(17) . . ?
Pt1 Ag7 Ag4 58.34(3) . . ?
Pt1 Ag7 Ag8 58.332(18) . . ?
Pt1 Ag7 Ag9 59.294(15) . . ?
Pt1 Ag7 Ag1 59.541(17) . . ?
Ag1A Ag7 Ag4 106.89(3) . . ?
Ag1A Ag7 Ag8 59.78(3) . . ?
Ag4 Ag7 Ag8 57.57(2) . . ?
Ag9 Ag7 Ag1A 111.291(16) . . ?
Ag9 Ag7 Ag4 59.915(13) . . ?
Ag9 Ag7 Ag8 107.166(18) . . ?
Ag1 Ag7 Ag1A 61.87(3) . . ?
Ag1 Ag7 Ag4 110.10(3) . . ?
Ag1 Ag7 Ag8 109.51(2) . . ?
Ag1 Ag7 Ag9 63.05(3) . . ?
P5 Ag7 Pt1 176.48(4) . . ?
P5 Ag7 Ag1A 122.78(4) . . ?
P5 Ag7 Ag4 122.17(5) . . ?
P5 Ag7 Ag8 125.11(4) . . ?
P5 Ag7 Ag9 117.58(4) . . ?
P5 Ag7 Ag1 118.02(4) . . ?
Pt1 Ag8 Ag1A 58.198(11) . . ?
Pt1 Ag8 Ag4 59.14(3) . . ?
Pt1 Ag8 Ag7 56.808(12) . . ?
Pt1 Ag8 Ag11 59.130(17) . . ?
Pt1 Ag8 Ag12 57.601(13) . . ?
Ag1A Ag8 Ag7 59.06(2) . . ?
Ag1A Ag8 Ag12 58.56(3) . . ?
Ag4 Ag8 Ag1A 109.15(3) . . ?
Ag4 Ag8 Ag7 61.06(2) . . ?
Ag4 Ag8 Ag11 61.05(2) . . ?
Ag4 Ag8 Ag12 108.32(3) . . ?
Ag11 Ag8 Ag1A 107.89(2) . . ?
Ag11 Ag8 Ag7 108.40(2) . . ?
Ag11 Ag8 Ag12 59.93(3) . . ?
Ag12 Ag8 Ag7 105.29(2) . . ?
S1 Ag8 Pt1 160.43(4) . . ?
S1 Ag8 Ag1A 137.80(4) . . ?
S1 Ag8 Ag4 111.44(5) . . ?
S1 Ag8 Ag7 136.78(4) . . ?
S1 Ag8 Ag11 101.41(4) . . ?
S1 Ag8 Ag12 116.66(4) . . ?
Pt1 Ag9 Ag4 58.24(3) . . ?
Pt1 Ag9 Ag5 58.34(2) . . ?
Pt1 Ag9 Ag6 57.94(2) . . ?
Pt1 Ag9 Ag7 57.580(14) . . ?
Pt1 Ag9 Ag1 57.32(2) . . ?
Ag4 Ag9 Ag1 107.27(3) . . ?
Ag5 Ag9 Ag4 60.362(16) . . ?
Ag5 Ag9 Ag6 61.18(3) . . ?
Ag5 Ag9 Ag7 108.377(16) . . ?
Ag5 Ag9 Ag1 106.91(2) . . ?
Ag6 Ag9 Ag4 108.57(3) . . ?
Ag6 Ag9 Ag1 57.68(3) . . ?
Ag7 Ag9 Ag4 61.07(2) . . ?
Ag7 Ag9 Ag6 105.39(2) . . ?
Ag7 Ag9 Ag1 58.296(13) . . ?
P6 Ag9 Pt1 178.77(4) . . ?
P6 Ag9 Ag4 120.53(5) . . ?
P6 Ag9 Ag5 121.24(4) . . ?
P6 Ag9 Ag6 123.06(4) . . ?
P6 Ag9 Ag7 122.11(4) . . ?
P6 Ag9 Ag1 123.70(4) . . ?
Pt1 Ag10 Ag0A 57.57(3) . . ?
Pt1 Ag10 Ag1A 57.953(13) . . ?
Pt1 Ag10 Ag6 57.94(3) . . ?
Pt1 Ag10 Ag12 57.721(19) . . ?
Pt1 Ag10 Ag1 59.34(2) . . ?
Pt1 Ag10 Ag2 114.19(2) . . ?
Ag0A Ag10 Ag1A 106.37(3) . . ?
Ag0A Ag10 Ag2 117.28(2) . . ?
Ag1A Ag10 Ag2 118.48(2) . . ?
Ag6 Ag10 Ag0A 60.33(2) . . ?
Ag6 Ag10 Ag1A 107.75(3) . . ?
Ag6 Ag10 Ag12 107.58(3) . . ?
Ag6 Ag10 Ag2 65.51(3) . . ?
Ag12 Ag10 Ag0A 59.458(19) . . ?
Ag12 Ag10 Ag1A 58.460(19) . . ?
Ag12 Ag10 Ag2 171.914(17) . . ?
Ag1 Ag10 Ag0A 108.25(4) . . ?
Ag1 Ag10 Ag1A 61.659(15) . . ?
Ag1 Ag10 Ag6 59.472(19) . . ?
Ag1 Ag10 Ag12 108.51(3) . . ?
Ag1 Ag10 Ag2 64.73(2) . . ?
S5 Ag10 Pt1 161.36(4) . . ?
S5 Ag10 Ag0A 136.71(4) . . ?
S5 Ag10 Ag1A 115.09(4) . . ?
S5 Ag10 Ag6 114.68(5) . . ?
S5 Ag10 Ag12 136.34(4) . . ?
S5 Ag10 Ag1 102.02(5) . . ?
S5 Ag10 Ag2 51.48(4) . . ?
Pt1 Ag11 Ag0A 57.47(2) . . ?
Pt1 Ag11 Ag4 58.47(3) . . ?
Pt1 Ag11 Ag5 57.674(16) . . ?
Pt1 Ag11 Ag8 59.017(16) . . ?
Pt1 Ag11 Ag12 58.10(2) . . ?
Pt1 Ag11 Ag3 114.64(3) . . ?
Ag0A Ag11 Ag3 171.443(18) . . ?
Ag4 Ag11 Ag0A 107.29(3) . . ?
Ag4 Ag11 Ag5 59.924(14) . . ?
Ag4 Ag11 Ag12 108.11(3) . . ?
Ag4 Ag11 Ag3 64.25(2) . . ?
Ag5 Ag11 Ag0A 59.12(2) . . ?
Ag5 Ag11 Ag3 114.71(2) . . ?
Ag8 Ag11 Ag0A 108.71(3) . . ?
Ag8 Ag11 Ag4 59.21(2) . . ?
Ag8 Ag11 Ag5 107.52(2) . . ?
Ag8 Ag11 Ag12 61.493(19) . . ?
Ag8 Ag11 Ag3 66.44(3) . . ?
Ag12 Ag11 Ag0A 59.77(3) . . ?
Ag12 Ag11 Ag5 107.192(19) . . ?
Ag12 Ag11 Ag3 120.28(3) . . ?
S3 Ag11 Pt1 163.23(4) . . ?
S3 Ag11 Ag0A 135.08(4) . . ?
S3 Ag11 Ag4 104.76(5) . . ?
S3 Ag11 Ag5 115.63(4) . . ?
S3 Ag11 Ag8 114.53(4) . . ?
S3 Ag11 Ag12 135.02(4) . . ?
S3 Ag11 Ag3 51.88(4) . . ?
Pt1 Ag12 Ag0A 58.055(13) . . ?
Pt1 Ag12 Ag1A 59.00(2) . . ?
Pt1 Ag12 Ag8 58.21(2) . . ?
Pt1 Ag12 Ag10 58.35(3) . . ?
Pt1 Ag12 Ag11 58.84(2) . . ?
Ag0A Ag12 Ag8 107.24(2) . . ?
Ag0A Ag12 Ag10 60.286(19) . . ?
Ag1A Ag12 Ag0A 108.913(15) . . ?
Ag1A Ag12 Ag8 60.24(3) . . ?
Ag1A Ag12 Ag10 60.820(17) . . ?
Ag1A Ag12 Ag11 108.15(2) . . ?
Ag10 Ag12 Ag8 108.30(3) . . ?
Ag11 Ag12 Ag0A 60.820(13) . . ?
Ag11 Ag12 Ag8 58.58(3) . . ?
Ag11 Ag12 Ag10 109.11(3) . . ?
P4 Ag12 Pt1 178.10(4) . . ?
P4 Ag12 Ag0A 123.03(4) . . ?
P4 Ag12 Ag1A 120.97(4) . . ?
P4 Ag12 Ag8 119.98(4) . . ?
P4 Ag12 Ag10 123.46(5) . . ?
P4 Ag12 Ag11 119.99(4) . . ?
Pt1 Ag1 Ag1A 57.502(16) . . ?
Pt1 Ag1 Ag6 58.421(15) . . ?
Pt1 Ag1 Ag7 57.662(19) . . ?
Pt1 Ag1 Ag9 57.18(2) . . ?
Pt1 Ag1 Ag10 59.06(3) . . ?
Pt1 Ag1 Ag2 114.40(2) . . ?
Ag1A Ag1 Ag9 105.913(19) . . ?
Ag1A Ag1 Ag2 118.02(2) . . ?
Ag6 Ag1 Ag1A 108.22(2) . . ?
Ag6 Ag1 Ag7 106.87(3) . . ?
Ag6 Ag1 Ag9 59.132(18) . . ?
Ag6 Ag1 Ag2 66.18(3) . . ?
Ag7 Ag1 Ag1A 59.37(2) . . ?
Ag7 Ag1 Ag9 58.65(3) . . ?
Ag7 Ag1 Ag2 172.039(18) . . ?
Ag9 Ag1 Ag2 117.62(3) . . ?
Ag10 Ag1 Ag1A 60.584(15) . . ?
Ag10 Ag1 Ag6 61.16(2) . . ?
Ag10 Ag1 Ag7 108.38(3) . . ?
Ag10 Ag1 Ag9 107.88(3) . . ?
Ag10 Ag1 Ag2 65.25(2) . . ?
S6 Ag1 Pt1 164.48(4) . . ?
S6 Ag1 Ag1A 133.04(5) . . ?
S6 Ag1 Ag6 106.22(4) . . ?
S6 Ag1 Ag7 135.53(4) . . ?
S6 Ag1 Ag9 118.94(5) . . ?
S6 Ag1 Ag10 113.30(5) . . ?
S6 Ag1 Ag2 52.19(4) . . ?
Ag1 Ag2 Ag10 50.020(18) . . ?
S4 Ag2 Ag10 87.07(4) . . ?
S4 Ag2 Ag1 91.80(5) . . ?
S4 Ag2 S5 117.13(5) . . ?
S4 Ag2 S6 112.46(6) . . ?
S5 Ag2 Ag10 46.06(4) . . ?
S5 Ag2 Ag1 85.63(4) . . ?
S5 Ag2 S6 109.76(5) . . ?
S6 Ag2 Ag10 93.26(4) . . ?
S6 Ag2 Ag1 46.13(3) . . ?
P8 Ag2 Ag10 153.76(5) . . ?
P8 Ag2 Ag1 151.10(5) . . ?
P8 Ag2 S4 102.68(6) . . ?
P8 Ag2 S5 108.85(6) . . ?
P8 Ag2 S6 104.98(6) . . ?
Ag4 Ag3 Ag11 51.178(18) . . ?
S1 Ag3 Ag4 92.48(4) . . ?
S1 Ag3 Ag11 85.16(5) . . ?
S2 Ag3 Ag4 46.21(4) . . ?
S2 Ag3 Ag11 95.86(4) . . ?
S2 Ag3 S1 110.15(5) . . ?
S2 Ag3 S3 118.72(5) . . ?
S3 Ag3 Ag4 88.80(4) . . ?
S3 Ag3 Ag11 46.06(3) . . ?
S3 Ag3 S1 110.87(5) . . ?
P7 Ag3 Ag4 150.08(5) . . ?
P7 Ag3 Ag11 149.66(5) . . ?
P7 Ag3 S1 107.55(6) . . ?
P7 Ag3 S2 104.80(7) . . ?
P7 Ag3 S3 103.82(6) . . ?
Ag8 S1 Ag3 83.86(5) . . ?
C5 S1 Ag8 110.0(2) . . ?
C5 S1 Ag3 98.58(19) . . ?
Ag4 S2 Ag3 81.83(5) . . ?
C16 S2 Ag4 109.9(2) . . ?
C16 S2 Ag3 102.6(2) . . ?
Ag11 S3 Ag3 82.06(5) . . ?
C4 S3 Ag11 114.3(2) . . ?
C4 S3 Ag3 97.0(2) . . ?
Ag6 S4 Ag2 84.45(5) . . ?
C8 S4 Ag6 112.6(2) . . ?
C8 S4 Ag2 96.8(2) . . ?
Ag10 S5 Ag2 82.46(5) . . ?
C73 S5 Ag10 109.26(15) . . ?
C73 S5 Ag2 104.28(15) . . ?
Ag1 S6 Ag2 81.68(5) . . ?
C64 S6 Ag1 110.29(17) . . ?
C64 S6 Ag2 98.35(18) . . ?
C1 P1 Ag5 110.96(19) . . ?
C1 P1 C2 104.6(3) . . ?
C1 P1 C10 102.4(2) . . ?
C2 P1 Ag5 117.67(18) . . ?
C2 P1 C10 101.2(2) . . ?
C10 P1 Ag5 118.11(14) . . ?
C7 P2 Ag0A 116.35(18) . . ?
C7 P2 C35 100.4(3) . . ?
C35 P2 Ag0A 114.65(18) . . ?
C38 P2 Ag0A 114.12(19) . . ?
C38 P2 C7 106.7(3) . . ?
C38 P2 C35 102.9(3) . . ?
C23 P3 Ag1A 114.62(16) . . ?
C23 P3 C111 104.4(2) . . ?
C23 P3 C140 101.6(2) . . ?
C111 P3 Ag1A 114.73(14) . . ?
C140 P3 Ag1A 115.45(15) . . ?
C140 P3 C111 104.4(2) . . ?
C6 P4 Ag12 111.92(18) . . ?
C52 P4 Ag12 117.46(19) . . ?
C52 P4 C6 102.3(3) . . ?
C62 P4 Ag12 115.1(2) . . ?
C62 P4 C6 104.1(3) . . ?
C62 P4 C52 104.4(3) . . ?
C29 P5 Ag7 114.03(15) . . ?
C29 P5 C59 105.2(2) . . ?
C39 P5 Ag7 113.13(14) . . ?
C39 P5 C29 103.3(2) . . ?
C39 P5 C59 102.5(3) . . ?
C59 P5 Ag7 117.2(2) . . ?
C9 P6 Ag9 114.86(19) . . ?
C9 P6 C17 102.5(2) . . ?
C9 P6 C53 103.9(2) . . ?
C17 P6 Ag9 112.63(15) . . ?
C53 P6 Ag9 117.25(14) . . ?
C53 P6 C17 104.0(2) . . ?
C60 P7 Ag3 116.9(3) . . ?
C60 P7 C145 101.3(3) . . ?
C60 P7 C176 103.4(3) . . ?
C145 P7 Ag3 117.6(3) . . ?
C176 P7 Ag3 111.97(18) . . ?
C176 P7 C145 103.9(4) . . ?
C79 P8 Ag2 116.54(18) . . ?
C79 P8 C103 102.8(3) . . ?
C79 P8 C124 103.1(3) . . ?
C103 P8 Ag2 113.99(17) . . ?
C103 P8 C124 104.7(2) . . ?
C124 P8 Ag2 114.29(18) . . ?
C47 C1 P1 116.5(4) . . ?
C71 C1 P1 124.1(5) . . ?
C71 C1 C47 119.4(5) . . ?
C51 C2 P1 118.5(4) . . ?
C51 C2 C132 119.7(6) . . ?
C132 C2 P1 121.8(5) . . ?
C16 C3 H3 119.2 . . ?
C88 C3 H3 119.2 . . ?
C88 C3 C16 121.6(7) . . ?
C37 C4 S3 122.9(5) . . ?
C37 C4 C119 115.9(6) . . ?
C119 C4 S3 121.0(5) . . ?
C45 C5 S1 122.3(5) . . ?
C49 C5 S1 122.5(4) . . ?
C49 C5 C45 115.1(5) . . ?
C90 C6 P4 118.8(4) . . ?
C90 C6 C99 118.7(6) . . ?
C99 C6 P4 122.5(5) . . ?
C36 C7 P2 118.5(4) . . ?
C36 C7 C98 119.5(5) . . ?
C98 C7 P2 121.9(4) . . ?
C48 C8 S4 122.3(5) . . ?
C91 C8 S4 120.4(5) . . ?
C91 C8 C48 117.3(6) . . ?
C46 C9 P6 119.2(5) . . ?
C46 C9 C72 118.1(6) . . ?
C72 C9 P6 122.6(5) . . ?
C11 C10 P1 117.1(2) . . ?
C11 C10 C15 120.0 . . ?
C15 C10 P1 122.7(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15 120.0 . . ?
C3 C16 S2 122.6(5) . . ?
C3 C16 C148 116.9(6) . . ?
C148 C16 S2 120.5(5) . . ?
C18 C17 P6 116.5(2) . . ?
C18 C17 C22 120.0 . . ?
C22 C17 P6 123.4(2) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 H22 120.0 . . ?
C21 C22 C17 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 P3 116.6(3) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 P3 123.4(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 P5 116.1(3) . . ?
C30 C29 C34 120.0 . . ?
C34 C29 P5 123.8(3) . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 H34 120.0 . . ?
C92 C35 P2 122.7(5) . . ?
C95 C35 P2 117.2(4) . . ?
C95 C35 C92 120.1(6) . . ?
C7 C36 H36 120.1 . . ?
C7 C36 C94 119.9(6) . . ?
C94 C36 H36 120.1 . . ?
C4 C37 H37 118.7 . . ?
C155 C37 C4 122.7(7) . . ?
C155 C37 H37 118.7 . . ?
C50 C38 P2 116.4(5) . . ?
C102 C38 P2 123.8(5) . . ?
C102 C38 C50 119.6(6) . . ?
C40 C39 P5 121.7(2) . . ?
C40 C39 C44 120.0 . . ?
C44 C39 P5 118.3(2) . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C39 C44 H44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C43 C44 H44 120.0 . . ?
C5 C45 Cl1 118.9(5) . . ?
C85 C45 Cl1 117.7(5) . . ?
C85 C45 C5 123.3(6) . . ?
C9 C46 H46 119.6 . . ?
C9 C46 C86 120.8(6) . . ?
C86 C46 H46 119.6 . . ?
C1 C47 H47 119.7 . . ?
C97 C47 C1 120.5(6) . . ?
C97 C47 H47 119.7 . . ?
C8 C48 H48 118.9 . . ?
C101 C48 C8 122.2(7) . . ?
C101 C48 H48 118.9 . . ?
C5 C49 H49 118.6 . . ?
C70 C49 C5 122.8(6) . . ?
C70 C49 H49 118.6 . . ?
C38 C50 H50 120.1 . . ?
C38 C50 C143 119.7(6) . . ?
C143 C50 H50 120.1 . . ?
C2 C51 H51 120.1 . . ?
C144 C51 C2 119.8(6) . . ?
C144 C51 H51 120.1 . . ?
C87 C52 P4 124.7(5) . . ?
C87 C52 C93 118.1(6) . . ?
C93 C52 P4 117.0(5) . . ?
C54 C53 P6 117.6(2) . . ?
C54 C53 C58 120.0 . . ?
C58 C53 P6 122.3(2) . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C53 C58 H58 120.0 . . ?
C57 C58 C53 120.0 . . ?
C57 C58 H58 120.0 . . ?
C134 C59 P5 118.9(5) . . ?
C134 C59 C152 119.0(7) . . ?
C152 C59 P5 122.1(5) . . ?
C130 C60 P7 116.8(5) . . ?
C130 C60 C159 119.8(8) . . ?
C159 C60 P7 123.4(7) . . ?
C100 C61 H61 119.5 . . ?
C117 C61 H61 119.5 . . ?
C117 C61 C100 121.0(7) . . ?
C89 C62 P4 118.7(5) . . ?
C89 C62 C96 119.3(6) . . ?
C96 C62 P4 122.0(5) . . ?
C99 C63 H63 119.9 . . ?
C99 C63 C146 120.1(6) . . ?
C146 C63 H63 119.9 . . ?
C65 C64 S6 120.9(3) . . ?
C65 C64 C69 120.0 . . ?
C69 C64 S6 118.9(3) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
F6 C67 C66 118.6(6) . . ?
F6 C67 C68 121.4(6) . . ?
C66 C67 C68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C64 C69 Cl6 123.2(3) . . ?
C68 C69 Cl6 116.8(3) . . ?
C68 C69 C64 120.0 . . ?
C49 C70 H70 121.2 . . ?
C49 C70 C116 117.7(6) . . ?
C116 C70 H70 121.2 . . ?
C1 C71 H71 119.8 . . ?
C1 C71 C153 120.5(6) . . ?
C153 C71 H71 119.8 . . ?
C9 C72 H72 119.6 . . ?
C120 C72 C9 120.7(6) . . ?
C120 C72 H72 119.6 . . ?
C74 C73 S5 120.2(2) . . ?
C74 C73 C78 120.0 . . ?
C78 C73 S5 119.8(2) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C76 C75 H75 120.0 . . ?
F4 C76 C75 118.3(5) . . ?
F4 C76 C77 121.7(5) . . ?
C75 C76 C77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C73 C78 Cl5 122.8(3) . . ?
C77 C78 Cl5 117.2(3) . . ?
C77 C78 C73 120.0 . . ?
C80 C79 P8 124.2(3) . . ?
C80 C79 C84 120.0 . . ?
C84 C79 P8 115.7(3) . . ?
C79 C80 H80 120.0 . . ?
C79 C80 C81 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C82 C81 C80 120.0 . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C84 C83 H83 120.0 . . ?
C79 C84 H84 120.0 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 H84 120.0 . . ?
C45 C85 H85 121.2 . . ?
C116 C85 C45 117.6(6) . . ?
C116 C85 H85 121.2 . . ?
C46 C86 H86 120.0 . . ?
C157 C86 C46 120.1(7) . . ?
C157 C86 H86 120.0 . . ?
C52 C87 H87 119.3 . . ?
C52 C87 C168 121.3(8) . . ?
C168 C87 H87 119.3 . . ?
C3 C88 H88 120.3 . . ?
C179 C88 C3 119.4(8) . . ?
C179 C88 H88 120.3 . . ?
C62 C89 H89 120.2 . . ?
C62 C89 C149 119.6(7) . . ?
C149 C89 H89 120.2 . . ?
C6 C90 H90 119.3 . . ?
C6 C90 C133 121.4(6) . . ?
C133 C90 H90 119.3 . . ?
C8 C91 Cl2 121.1(5) . . ?
C162 C91 Cl2 117.0(5) . . ?
C162 C91 C8 121.8(7) . . ?
C35 C92 H92 120.5 . . ?
C35 C92 C117 119.0(6) . . ?
C117 C92 H92 120.5 . . ?
C52 C93 H93 119.5 . . ?
C136 C93 C52 121.0(8) . . ?
C136 C93 H93 119.5 . . ?
C36 C94 H94 119.6 . . ?
C154 C94 C36 120.8(6) . . ?
C154 C94 H94 119.6 . . ?
C35 C95 H95 119.7 . . ?
C35 C95 C100 120.5(6) . . ?
C100 C95 H95 119.7 . . ?
C62 C96 H96 120.3 . . ?
C62 C96 C121 119.5(7) . . ?
C121 C96 H96 120.3 . . ?
C47 C97 H97 120.2 . . ?
C47 C97 C135 119.5(7) . . ?
C135 C97 H97 120.2 . . ?
C7 C98 H98 120.2 . . ?
C163 C98 C7 119.7(6) . . ?
C163 C98 H98 120.2 . . ?
C6 C99 H99 119.8 . . ?
C63 C99 C6 120.4(6) . . ?
C63 C99 H99 119.8 . . ?
C61 C100 C95 119.2(7) . . ?
C61 C100 H100 120.4 . . ?
C95 C100 H100 120.4 . . ?
C48 C101 H101 121.2 . . ?
C48 C101 C160 117.6(8) . . ?
C160 C101 H101 121.2 . . ?
C38 C102 H102 120.3 . . ?
C123 C102 C38 119.4(7) . . ?
C123 C102 H102 120.3 . . ?
C104 C103 P8 122.7(3) . . ?
C104 C103 C108 120.0 . . ?
C108 C103 P8 117.3(3) . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C105 C106 C107 120.0 . . ?
C107 C106 H106 120.0 . . ?
C106 C107 H107 120.0 . . ?
C106 C107 C108 120.0 . . ?
C108 C107 H107 120.0 . . ?
C103 C108 H108 120.0 . . ?
C107 C108 C103 120.0 . . ?
C107 C108 H108 120.0 . . ?
F1 C109 C155 117.2(8) . . ?
C150 C109 F1 119.7(8) . . ?
C150 C109 C155 123.1(7) . . ?
C111 C110 H110 120.0 . . ?
C111 C110 C115 120.0 . . ?
C115 C110 H110 120.0 . . ?
C110 C111 P3 122.7(2) . . ?
C112 C111 P3 117.3(2) . . ?
C112 C111 C110 120.0 . . ?
C111 C112 H112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C113 C114 C115 120.0 . . ?
C115 C114 H114 120.0 . . ?
C110 C115 H115 120.0 . . ?
C114 C115 C110 120.0 . . ?
C114 C115 H115 120.0 . . ?
F3 C116 C70 118.5(7) . . ?
C85 C116 F3 118.0(6) . . ?
C85 C116 C70 123.5(6) . . ?
C61 C117 C92 120.1(6) . . ?
C61 C117 H117 119.9 . . ?
C92 C117 H117 119.9 . . ?
C122 C118 H118 120.1 . . ?
C122 C118 C132 119.9(7) . . ?
C132 C118 H118 120.1 . . ?
C4 C119 Cl3 120.4(5) . . ?
C150 C119 Cl3 118.3(5) . . ?
C150 C119 C4 121.3(7) . . ?
C72 C120 H120 120.1 . . ?
C157 C120 C72 119.9(7) . . ?
C157 C120 H120 120.1 . . ?
C96 C121 H121 119.4 . . ?
C151 C121 C96 121.1(7) . . ?
C151 C121 H121 119.4 . . ?
C118 C122 H122 119.9 . . ?
C144 C122 C118 120.3(7) . . ?
C144 C122 H122 119.9 . . ?
C102 C123 H123 119.0 . . ?
C161 C123 C102 122.0(7) . . ?
C161 C123 H123 119.0 . . ?
C125 C124 P8 123.2(3) . . ?
C125 C124 C129 120.0 . . ?
C129 C124 P8 116.8(3) . . ?
C124 C125 H125 120.0 . . ?
C126 C125 C124 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C125 C126 C127 120.0 . . ?
C127 C126 H126 120.0 . . ?
C126 C127 H127 120.0 . . ?
C126 C127 C128 120.0 . . ?
C128 C127 H127 120.0 . . ?
C127 C128 H128 120.0 . . ?
C129 C128 C127 120.0 . . ?
C129 C128 H128 120.0 . . ?
C124 C129 H129 120.0 . . ?
C128 C129 C124 120.0 . . ?
C128 C129 H129 120.0 . . ?
C60 C130 H130 120.1 . . ?
C165 C130 C60 119.8(8) . . ?
C165 C130 H130 120.1 . . ?
C145 C131 H131 119.8 . . ?
C172 C131 H131 119.8 . . ?
C172 C131 C145 120.4(10) . . ?
C2 C132 H132 120.0 . . ?
C118 C132 C2 120.0(6) . . ?
C118 C132 H132 120.0 . . ?
C90 C133 H133 119.9 . . ?
C90 C133 C146 120.2(7) . . ?
C146 C133 H133 119.9 . . ?
C59 C134 H134 119.4 . . ?
C59 C134 C171 121.3(7) . . ?
C171 C134 H134 119.4 . . ?
C97 C135 H135 119.8 . . ?
C153 C135 C97 120.3(6) . . ?
C153 C135 H135 119.8 . . ?
C93 C136 H136 119.9 . . ?
C158 C136 C93 120.2(8) . . ?
C158 C136 H136 119.9 . . ?
C138 C137 H137 120.0 . . ?
C138 C137 C142 120.0 . . ?
C142 C137 H137 120.0 . . ?
C137 C138 H138 120.0 . . ?
C139 C138 C137 120.0 . . ?
C139 C138 H138 120.0 . . ?
C138 C139 H139 120.0 . . ?
C138 C139 C140 120.0 . . ?
C140 C139 H139 120.0 . . ?
C139 C140 P3 122.3(3) . . ?
C139 C140 C141 120.0 . . ?
C141 C140 P3 117.7(3) . . ?
C140 C141 H141 120.0 . . ?
C140 C141 C142 120.0 . . ?
C142 C141 H141 120.0 . . ?
C137 C142 H142 120.0 . . ?
C141 C142 C137 120.0 . . ?
C141 C142 H142 120.0 . . ?
C50 C143 H143 120.3 . . ?
C161 C143 C50 119.4(7) . . ?
C161 C143 H143 120.3 . . ?
C51 C144 H144 119.8 . . ?
C122 C144 C51 120.4(7) . . ?
C122 C144 H144 119.8 . . ?
C131 C145 P7 116.2(7) . . ?
C166 C145 P7 125.1(7) . . ?
C166 C145 C131 118.7(9) . . ?
C63 C146 H146 120.4 . . ?
C133 C146 C63 119.1(7) . . ?
C133 C146 H146 120.4 . . ?
C156 C147 H147 120.4 . . ?
C165 C147 H147 120.4 . . ?
C165 C147 C156 119.3(9) . . ?
C16 C148 Cl4 120.8(5) . . ?
C169 C148 Cl4 117.0(6) . . ?
C169 C148 C16 122.2(7) . . ?
C89 C149 H149 119.9 . . ?
C151 C149 C89 120.3(7) . . ?
C151 C149 H149 119.9 . . ?
C109 C150 C119 119.5(7) . . ?
C109 C150 H150 120.3 . . ?
C119 C150 H150 120.3 . . ?
C121 C151 C149 120.2(7) . . ?
C121 C151 H151 119.9 . . ?
C149 C151 H151 119.9 . . ?
C59 C152 H152 119.3 . . ?
C59 C152 C170 121.3(8) . . ?
C170 C152 H152 119.3 . . ?
C71 C153 H153 120.2 . . ?
C135 C153 C71 119.6(7) . . ?
C135 C153 H153 120.2 . . ?
C94 C154 H154 120.3 . . ?
C94 C154 C163 119.4(6) . . ?
C163 C154 H154 120.3 . . ?
C37 C155 C109 117.5(8) . . ?
C37 C155 H155 121.3 . . ?
C109 C155 H155 121.3 . . ?
C147 C156 H156 119.4 . . ?
C159 C156 C147 121.2(8) . . ?
C159 C156 H156 119.4 . . ?
C86 C157 C120 120.4(7) . . ?
C86 C157 H157 119.8 . . ?
C120 C157 H157 119.8 . . ?
C136 C158 H158 119.6 . . ?
C136 C158 C168 120.9(7) . . ?
C168 C158 H158 119.6 . . ?
C60 C159 H159 120.4 . . ?
C156 C159 C60 119.1(9) . . ?
C156 C159 H159 120.4 . . ?
F2 C160 C101 117.5(9) . . ?
C162 C160 F2 119.8(8) . . ?
C162 C160 C101 122.8(7) . . ?
C123 C161 C143 119.9(7) . . ?
C123 C161 H161 120.1 . . ?
C143 C161 H161 120.1 . . ?
C91 C162 H162 120.8 . . ?
C160 C162 C91 118.4(7) . . ?
C160 C162 H162 120.8 . . ?
C98 C163 H163 119.7 . . ?
C154 C163 C98 120.7(6) . . ?
C154 C163 H163 119.7 . . ?
C170 C164 H164 119.4 . . ?
C171 C164 H164 119.4 . . ?
C171 C164 C170 121.2(8) . . ?
C130 C165 H165 119.7 . . ?
C147 C165 C130 120.7(11) . . ?
C147 C165 H165 119.7 . . ?
C145 C166 H166 120.5 . . ?
C145 C166 C180 119.0(11) . . ?
C180 C166 H166 120.5 . . ?
C172 C167 H167 118.5 . . ?
C180 C167 H167 118.5 . . ?
C180 C167 C172 123.0(12) . . ?
C87 C168 C158 118.6(8) . . ?
C87 C168 H168 120.7 . . ?
C158 C168 H168 120.7 . . ?
C148 C169 H169 121.5 . . ?
C179 C169 C148 117.1(7) . . ?
C179 C169 H169 121.5 . . ?
C152 C170 C164 118.3(8) . . ?
C152 C170 H170 120.9 . . ?
C164 C170 H170 120.9 . . ?
C134 C171 C164 118.9(8) . . ?
C134 C171 H171 120.6 . . ?
C164 C171 H171 120.6 . . ?
C131 C172 H172 120.8 . . ?
C167 C172 C131 118.3(11) . . ?
C167 C172 H172 120.8 . . ?
C174 C173 H173 120.0 . . ?
C174 C173 C178 120.0 . . ?
C178 C173 H173 120.0 . . ?
C173 C174 H174 120.0 . . ?
C175 C174 C173 120.0 . . ?
C175 C174 H174 120.0 . . ?
C174 C175 H175 120.0 . . ?
C174 C175 C176 120.0 . . ?
C176 C175 H175 120.0 . . ?
C175 C176 P7 117.3(3) . . ?
C177 C176 P7 122.7(3) . . ?
C177 C176 C175 120.0 . . ?
C176 C177 H177 120.0 . . ?
C178 C177 C176 120.0 . . ?
C178 C177 H177 120.0 . . ?
C173 C178 H178 120.0 . . ?
C177 C178 C173 120.0 . . ?
C177 C178 H178 120.0 . . ?
F5 C179 C88 119.6(10) . . ?
C169 C179 F5 117.6(9) . . ?
C169 C179 C88 122.7(8) . . ?
C166 C180 H180 119.8 . . ?
C167 C180 C166 120.4(13) . . ?
C167 C180 H180 119.8 . . ?
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
Pt1 Ag0A 2.7428(6) . ?
Pt1 Ag1A 2.7606(8) . ?
Pt1 Ag4 2.7632(15) . ?
Pt1 Ag5 2.7504(8) . ?
Pt1 Ag6 2.7422(6) . ?
Pt1 Ag7 2.7210(5) . ?
Pt1 Ag8 2.7674(6) . ?
Pt1 Ag9 2.7715(6) . ?
Pt1 Ag10 2.7678(15) . ?
Pt1 Ag11 2.7707(7) . ?
Pt1 Ag12 2.7490(6) . ?
Pt1 Ag1 2.7760(7) . ?
Ag0A Ag5 2.8871(13) . ?
Ag0A Ag6 2.9204(7) . ?
Ag0A Ag10 2.9217(9) . ?
Ag0A Ag11 2.9277(10) . ?
Ag0A Ag12 2.8973(7) . ?
Ag0A P2 2.4545(13) . ?
Ag1A Ag7 2.8824(13) . ?
Ag1A Ag8 2.9038(13) . ?
Ag1A Ag10 2.9236(7) . ?
Ag1A Ag12 2.8539(7) . ?
Ag1A Ag1 2.9541(7) . ?
Ag1A P3 2.4654(15) . ?
Ag4 Ag5 2.9012(7) . ?
Ag4 Ag7 2.9351(10) . ?
Ag4 Ag8 2.8309(9) . ?
Ag4 Ag9 2.9020(7) . ?
Ag4 Ag11 2.8837(8) . ?
Ag4 Ag3 3.3337(8) . ?
Ag4 S2 2.4311(17) . ?
Ag5 Ag6 2.9287(13) . ?
Ag5 Ag9 2.8685(7) . ?
Ag5 Ag11 2.9249(7) . ?
Ag5 P1 2.4544(14) . ?
Ag6 Ag9 2.8863(11) . ?
Ag6 Ag10 2.8898(9) . ?
Ag6 Ag1 2.8417(7) . ?
Ag6 S4 2.4118(14) . ?
Ag7 Ag8 2.9435(7) . ?
Ag7 Ag9 2.8753(7) . ?
Ag7 Ag1 2.8643(11) . ?
Ag7 P5 2.4303(14) . ?
Ag8 Ag11 2.8462(7) . ?
Ag8 Ag12 2.9310(11) . ?
Ag8 S1 2.4376(14) . ?
Ag9 Ag1 3.0011(16) . ?
Ag9 P6 2.4686(14) . ?
Ag10 Ag12 2.9208(7) . ?
Ag10 Ag1 2.8388(8) . ?
Ag10 Ag2 3.3644(8) . ?
Ag10 S5 2.4437(18) . ?
Ag11 Ag12 2.8865(15) . ?
Ag11 Ag3 3.3429(12) . ?
Ag11 S3 2.4305(16) . ?
Ag12 P4 2.4529(14) . ?
Ag1 Ag2 3.3501(12) . ?
Ag1 S6 2.4408(15) . ?
Ag2 S4 2.6510(17) . ?
Ag2 S5 2.6554(16) . ?
Ag2 S6 2.6749(16) . ?
Ag2 P8 2.5526(18) . ?
Ag3 S1 2.6681(16) . ?
Ag3 S2 2.6524(16) . ?
Ag3 S3 2.6553(16) . ?
Ag3 P7 2.5431(19) . ?
Cl1 C45 1.748(6) . ?
Cl2 C91 1.734(7) . ?
Cl3 C119 1.730(8) . ?
Cl4 C148 1.729(8) . ?
Cl5 C78 1.710(4) . ?
Cl6 C69 1.722(6) . ?
S1 C5 1.755(6) . ?
S2 C16 1.759(6) . ?
S3 C4 1.761(6) . ?
S4 C8 1.765(6) . ?
S5 C73 1.790(3) . ?
S6 C64 1.805(4) . ?
P1 C1 1.813(6) . ?
P1 C2 1.821(6) . ?
P1 C10 1.827(3) . ?
P2 C7 1.832(6) . ?
P2 C35 1.833(6) . ?
P2 C38 1.824(6) . ?
P3 C23 1.825(4) . ?
P3 C111 1.837(3) . ?
P3 C140 1.830(3) . ?
P4 C6 1.824(6) . ?
P4 C52 1.821(6) . ?
P4 C62 1.820(6) . ?
P5 C29 1.826(4) . ?
P5 C39 1.817(3) . ?
P5 C59 1.830(6) . ?
P6 C9 1.822(6) . ?
P6 C17 1.832(3) . ?
P6 C53 1.832(3) . ?
P7 C60 1.825(8) . ?
P7 C145 1.828(9) . ?
P7 C176 1.827(4) . ?
P8 C79 1.830(4) . ?
P8 C103 1.840(4) . ?
P8 C124 1.842(4) . ?
F1 C109 1.373(8) . ?
F2 C160 1.375(9) . ?
F3 C116 1.371(7) . ?
F4 C76 1.334(6) . ?
F5 C179 1.368(10) . ?
F6 C67 1.346(7) . ?
C1 C47 1.412(9) . ?
C1 C71 1.368(8) . ?
C2 C51 1.390(9) . ?
C2 C132 1.398(8) . ?
C3 H3 0.9300 . ?
C3 C16 1.386(9) . ?
C3 C88 1.377(11) . ?
C4 C37 1.392(9) . ?
C4 C119 1.416(8) . ?
C5 C45 1.412(8) . ?
C5 C49 1.410(9) . ?
C6 C90 1.379(9) . ?
C6 C99 1.407(8) . ?
C7 C36 1.384(8) . ?
C7 C98 1.400(7) . ?
C8 C48 1.401(10) . ?
C8 C91 1.392(8) . ?
C9 C46 1.376(8) . ?
C9 C72 1.411(8) . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C16 C148 1.408(9) . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C18 H18 0.9300 . ?
C18 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C22 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C34 1.3900 . ?
C34 H34 0.9300 . ?
C35 C92 1.392(8) . ?
C35 C95 1.369(9) . ?
C36 H36 0.9300 . ?
C36 C94 1.389(9) . ?
C37 H37 0.9300 . ?
C37 C155 1.389(10) . ?
C38 C50 1.390(9) . ?
C38 C102 1.386(8) . ?
C39 C40 1.3900 . ?
C39 C44 1.3900 . ?
C40 H40 0.9300 . ?
C40 C41 1.3900 . ?
C41 H41 0.9300 . ?
C41 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C43 1.3900 . ?
C43 H43 0.9300 . ?
C43 C44 1.3900 . ?
C44 H44 0.9300 . ?
C45 C85 1.368(9) . ?
C46 H46 0.9300 . ?
C46 C86 1.396(10) . ?
C47 H47 0.9300 . ?
C47 C97 1.388(9) . ?
C48 H48 0.9300 . ?
C48 C101 1.376(10) . ?
C49 H49 0.9300 . ?
C49 C70 1.372(9) . ?
C50 H50 0.9300 . ?
C50 C143 1.402(10) . ?
C51 H51 0.9300 . ?
C51 C144 1.386(10) . ?
C52 C87 1.383(9) . ?
C52 C93 1.401(10) . ?
C53 C54 1.3900 . ?
C53 C58 1.3900 . ?
C54 H54 0.9300 . ?
C54 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C56 1.3900 . ?
C56 H56 0.9300 . ?
C56 C57 1.3900 . ?
C57 H57 0.9300 . ?
C57 C58 1.3900 . ?
C58 H58 0.9300 . ?
C59 C134 1.378(9) . ?
C59 C152 1.384(9) . ?
C60 C130 1.405(13) . ?
C60 C159 1.404(10) . ?
C61 H61 0.9300 . ?
C61 C100 1.382(11) . ?
C61 C117 1.356(12) . ?
C62 C89 1.390(9) . ?
C62 C96 1.395(8) . ?
C63 H63 0.9300 . ?
C63 C99 1.384(9) . ?
C63 C146 1.408(11) . ?
C64 C65 1.3900 . ?
C64 C69 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C67 1.3900 . ?
C67 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C69 1.3900 . ?
C70 H70 0.9300 . ?
C70 C116 1.374(9) . ?
C71 H71 0.9300 . ?
C71 C153 1.416(10) . ?
C72 H72 0.9300 . ?
C72 C120 1.379(10) . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 H74 0.9300 . ?
C74 C75 1.3900 . ?
C75 H75 0.9300 . ?
C75 C76 1.3900 . ?
C76 C77 1.3900 . ?
C77 H77 0.9300 . ?
C77 C78 1.3900 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 H80 0.9300 . ?
C80 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C82 1.3900 . ?
C82 H82 0.9300 . ?
C82 C83 1.3900 . ?
C83 H83 0.9300 . ?
C83 C84 1.3900 . ?
C84 H84 0.9300 . ?
C85 H85 0.9300 . ?
C85 C116 1.365(11) . ?
C86 H86 0.9300 . ?
C86 C157 1.368(11) . ?
C87 H87 0.9300 . ?
C87 C168 1.387(11) . ?
C88 H88 0.9300 . ?
C88 C179 1.372(13) . ?
C89 H89 0.9300 . ?
C89 C149 1.409(10) . ?
C90 H90 0.9300 . ?
C90 C133 1.387(10) . ?
C91 C162 1.387(10) . ?
C92 H92 0.9300 . ?
C92 C117 1.403(9) . ?
C93 H93 0.9300 . ?
C93 C136 1.376(10) . ?
C94 H94 0.9300 . ?
C94 C154 1.380(10) . ?
C95 H95 0.9300 . ?
C95 C100 1.387(9) . ?
C96 H96 0.9300 . ?
C96 C121 1.404(10) . ?
C97 H97 0.9300 . ?
C97 C135 1.396(11) . ?
C98 H98 0.9300 . ?
C98 C163 1.386(9) . ?
C99 H99 0.9300 . ?
C100 H100 0.9300 . ?
C101 H101 0.9300 . ?
C101 C160 1.392(12) . ?
C102 H102 0.9300 . ?
C102 C123 1.367(10) . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 H104 0.9300 . ?
C104 C105 1.3900 . ?
C105 H105 0.9300 . ?
C105 C106 1.3900 . ?
C106 H106 0.9300 . ?
C106 C107 1.3900 . ?
C107 H107 0.9300 . ?
C107 C108 1.3900 . ?
C108 H108 0.9300 . ?
C109 C150 1.316(12) . ?
C109 C155 1.388(12) . ?
C110 H110 0.9300 . ?
C110 C111 1.3900 . ?
C110 C115 1.3900 . ?
C111 C112 1.3900 . ?
C112 H112 0.9300 . ?
C112 C113 1.3900 . ?
C113 H113 0.9300 . ?
C113 C114 1.3900 . ?
C114 H114 0.9300 . ?
C114 C115 1.3900 . ?
C115 H115 0.9300 . ?
C117 H117 0.9300 . ?
C118 H118 0.9300 . ?
C118 C122 1.384(12) . ?
C118 C132 1.385(10) . ?
C119 C150 1.397(10) . ?
C120 H120 0.9300 . ?
C120 C157 1.376(12) . ?
C121 H121 0.9300 . ?
C121 C151 1.350(12) . ?
C122 H122 0.9300 . ?
C122 C144 1.379(12) . ?
C123 H123 0.9300 . ?
C123 C161 1.360(12) . ?
C124 C125 1.3900 . ?
C124 C129 1.3900 . ?
C125 H125 0.9300 . ?
C125 C126 1.3900 . ?
C126 H126 0.9300 . ?
C126 C127 1.3900 . ?
C127 H127 0.9300 . ?
C127 C128 1.3900 . ?
C128 H128 0.9300 . ?
C128 C129 1.3900 . ?
C129 H129 0.9300 . ?
C130 H130 0.9300 . ?
C130 C165 1.395(13) . ?
C131 H131 0.9300 . ?
C131 C145 1.404(11) . ?
C131 C172 1.379(14) . ?
C132 H132 0.9300 . ?
C133 H133 0.9300 . ?
C133 C146 1.387(10) . ?
C134 H134 0.9300 . ?
C134 C171 1.385(11) . ?
C135 H135 0.9300 . ?
C135 C153 1.383(12) . ?
C136 H136 0.9300 . ?
C136 C158 1.351(13) . ?
C137 H137 0.9300 . ?
C137 C138 1.3900 . ?
C137 C142 1.3900 . ?
C138 H138 0.9300 . ?
C138 C139 1.3900 . ?
C139 H139 0.9300 . ?
C139 C140 1.3900 . ?
C140 C141 1.3900 . ?
C141 H141 0.9300 . ?
C141 C142 1.3900 . ?
C142 H142 0.9300 . ?
C143 H143 0.9300 . ?
C143 C161 1.377(12) . ?
C144 H144 0.9300 . ?
C145 C166 1.365(12) . ?
C146 H146 0.9300 . ?
C147 H147 0.9300 . ?
C147 C156 1.400(16) . ?
C147 C165 1.383(15) . ?
C148 C169 1.407(11) . ?
C149 H149 0.9300 . ?
C149 C151 1.377(12) . ?
C150 H150 0.9300 . ?
C151 H151 0.9300 . ?
C152 H152 0.9300 . ?
C152 C170 1.391(11) . ?
C153 H153 0.9300 . ?
C154 H154 0.9300 . ?
C154 C163 1.381(10) . ?
C155 H155 0.9300 . ?
C156 H156 0.9300 . ?
C156 C159 1.391(13) . ?
C157 H157 0.9300 . ?
C158 H158 0.9300 . ?
C158 C168 1.405(14) . ?
C159 H159 0.9300 . ?
C160 C162 1.360(14) . ?
C161 H161 0.9300 . ?
C162 H162 0.9300 . ?
C163 H163 0.9300 . ?
C164 H164 0.9300 . ?
C164 C170 1.392(14) . ?
C164 C171 1.387(13) . ?
C165 H165 0.9300 . ?
C166 H166 0.9300 . ?
C166 C180 1.401(16) . ?
C167 H167 0.9300 . ?
C167 C172 1.348(18) . ?
C167 C180 1.31(2) . ?
C168 H168 0.9300 . ?
C169 H169 0.9300 . ?
C169 C179 1.361(15) . ?
C170 H170 0.9300 . ?
C171 H171 0.9300 . ?
C172 H172 0.9300 . ?
C173 H173 0.9300 . ?
C173 C174 1.3900 . ?
C173 C178 1.3900 . ?
C174 H174 0.9300 . ?
C174 C175 1.3900 . ?
C175 H175 0.9300 . ?
C175 C176 1.3900 . ?
C176 C177 1.3900 . ?
C177 H177 0.9300 . ?
C177 C178 1.3900 . ?
C178 H178 0.9300 . ?
C180 H180 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag0A P2 C7 C36 -15.8(6) . . . . ?
Ag0A P2 C7 C98 160.5(5) . . . . ?
Ag0A P2 C35 C92 130.8(5) . . . . ?
Ag0A P2 C35 C95 -50.9(5) . . . . ?
Ag0A P2 C38 C50 -40.3(5) . . . . ?
Ag0A P2 C38 C102 145.8(5) . . . . ?
Ag1A P3 C23 C24 58.3(3) . . . . ?
Ag1A P3 C23 C28 -125.0(3) . . . . ?
Ag1A P3 C111 C110 -163.2(2) . . . . ?
Ag1A P3 C111 C112 16.2(3) . . . . ?
Ag1A P3 C140 C139 -152.1(3) . . . . ?
Ag1A P3 C140 C141 27.3(4) . . . . ?
Ag4 S2 C16 C3 22.9(6) . . . . ?
Ag4 S2 C16 C148 -157.6(5) . . . . ?
Ag5 P1 C1 C47 -55.9(5) . . . . ?
Ag5 P1 C1 C71 124.8(5) . . . . ?
Ag5 P1 C2 C51 -12.0(6) . . . . ?
Ag5 P1 C2 C132 166.5(5) . . . . ?
Ag5 P1 C10 C11 -47.7(3) . . . . ?
Ag5 P1 C10 C15 138.6(2) . . . . ?
Ag6 S4 C8 C48 23.8(6) . . . . ?
Ag6 S4 C8 C91 -158.3(5) . . . . ?
Ag7 P5 C29 C30 52.7(3) . . . . ?
Ag7 P5 C29 C34 -129.6(2) . . . . ?
Ag7 P5 C39 C40 -147.0(2) . . . . ?
Ag7 P5 C39 C44 36.2(3) . . . . ?
Ag7 P5 C59 C134 20.4(7) . . . . ?
Ag7 P5 C59 C152 -160.7(6) . . . . ?
Ag8 S1 C5 C45 -158.1(4) . . . . ?
Ag8 S1 C5 C49 26.3(5) . . . . ?
Ag9 P6 C9 C46 27.1(6) . . . . ?
Ag9 P6 C9 C72 -150.4(5) . . . . ?
Ag9 P6 C17 C18 49.9(3) . . . . ?
Ag9 P6 C17 C22 -133.9(3) . . . . ?
Ag9 P6 C53 C54 19.4(3) . . . . ?
Ag9 P6 C53 C58 -163.6(2) . . . . ?
Ag10 S5 C73 C74 30.6(3) . . . . ?
Ag10 S5 C73 C78 -149.2(2) . . . . ?
Ag11 S3 C4 C37 27.1(6) . . . . ?
Ag11 S3 C4 C119 -156.9(5) . . . . ?
Ag12 P4 C6 C90 29.9(5) . . . . ?
Ag12 P4 C6 C99 -149.7(4) . . . . ?
Ag12 P4 C52 C87 -133.5(5) . . . . ?
Ag12 P4 C52 C93 51.4(6) . . . . ?
Ag12 P4 C62 C89 20.7(6) . . . . ?
Ag12 P4 C62 C96 -160.2(5) . . . . ?
Ag1 S6 C64 C65 28.4(4) . . . . ?
Ag1 S6 C64 C69 -156.9(3) . . . . ?
Ag2 S4 C8 C48 -62.9(5) . . . . ?
Ag2 S4 C8 C91 114.9(5) . . . . ?
Ag2 S5 C73 C74 -56.2(3) . . . . ?
Ag2 S5 C73 C78 123.9(3) . . . . ?
Ag2 S6 C64 C65 -55.8(3) . . . . ?
Ag2 S6 C64 C69 118.9(3) . . . . ?
Ag2 P8 C79 C80 -128.8(3) . . . . ?
Ag2 P8 C79 C84 53.7(4) . . . . ?
Ag2 P8 C103 C104 -165.6(3) . . . . ?
Ag2 P8 C103 C108 16.2(4) . . . . ?
Ag2 P8 C124 C125 -139.0(3) . . . . ?
Ag2 P8 C124 C129 40.9(4) . . . . ?
Ag3 S1 C5 C45 115.3(5) . . . . ?
Ag3 S1 C5 C49 -60.3(5) . . . . ?
Ag3 S2 C16 C3 -62.9(6) . . . . ?
Ag3 S2 C16 C148 116.7(6) . . . . ?
Ag3 S3 C4 C37 -57.3(5) . . . . ?
Ag3 S3 C4 C119 118.7(5) . . . . ?
Ag3 P7 C60 C130 32.7(7) . . . . ?
Ag3 P7 C60 C159 -147.0(6) . . . . ?
Ag3 P7 C145 C131 50.1(6) . . . . ?
Ag3 P7 C145 C166 -130.3(7) . . . . ?
Ag3 P7 C176 C175 36.6(5) . . . . ?
Ag3 P7 C176 C177 -145.6(4) . . . . ?
Cl1 C45 C85 C116 177.4(6) . . . . ?
Cl2 C91 C162 C160 -176.3(7) . . . . ?
Cl3 C119 C150 C109 -179.0(7) . . . . ?
Cl4 C148 C169 C179 178.1(9) . . . . ?
S1 C5 C45 Cl1 5.9(7) . . . . ?
S1 C5 C45 C85 -175.6(5) . . . . ?
S1 C5 C49 C70 177.2(5) . . . . ?
S2 C16 C148 Cl4 1.4(9) . . . . ?
S2 C16 C148 C169 -178.9(7) . . . . ?
S3 C4 C37 C155 176.4(5) . . . . ?
S3 C4 C119 Cl3 2.0(8) . . . . ?
S3 C4 C119 C150 -176.5(6) . . . . ?
S4 C8 C48 C101 177.7(6) . . . . ?
S4 C8 C91 Cl2 -1.7(8) . . . . ?
S4 C8 C91 C162 -179.5(6) . . . . ?
S5 C73 C74 C75 -179.9(4) . . . . ?
S5 C73 C78 Cl5 0.0(4) . . . . ?
S5 C73 C78 C77 179.9(4) . . . . ?
S6 C64 C65 C66 174.6(4) . . . . ?
S6 C64 C69 Cl6 5.2(5) . . . . ?
S6 C64 C69 C68 -174.7(4) . . . . ?
P1 C1 C47 C97 -174.8(5) . . . . ?
P1 C1 C71 C153 176.6(6) . . . . ?
P1 C2 C51 C144 178.0(6) . . . . ?
P1 C2 C132 C118 -178.4(6) . . . . ?
P1 C10 C11 C12 -174.0(4) . . . . ?
P1 C10 C15 C14 173.6(4) . . . . ?
P2 C7 C36 C94 176.1(5) . . . . ?
P2 C7 C98 C163 -175.8(5) . . . . ?
P2 C35 C92 C117 176.9(5) . . . . ?
P2 C35 C95 C100 -175.0(6) . . . . ?
P2 C38 C50 C143 -172.5(6) . . . . ?
P2 C38 C102 C123 173.7(6) . . . . ?
P3 C23 C24 C25 176.9(3) . . . . ?
P3 C23 C28 C27 -176.7(4) . . . . ?
P3 C111 C112 C113 -179.4(3) . . . . ?
P3 C140 C141 C142 -179.5(4) . . . . ?
P4 C6 C90 C133 178.8(6) . . . . ?
P4 C6 C99 C63 -179.9(5) . . . . ?
P4 C52 C87 C168 -174.8(7) . . . . ?
P4 C52 C93 C136 175.0(6) . . . . ?
P4 C62 C89 C149 179.0(6) . . . . ?
P4 C62 C96 C121 -178.0(6) . . . . ?
P5 C29 C30 C31 177.7(3) . . . . ?
P5 C29 C34 C33 -177.6(3) . . . . ?
P5 C39 C40 C41 -176.8(4) . . . . ?
P5 C39 C44 C43 176.9(4) . . . . ?
P5 C59 C134 C171 178.4(7) . . . . ?
P5 C59 C152 C170 -179.9(7) . . . . ?
P6 C9 C46 C86 179.6(6) . . . . ?
P6 C9 C72 C120 -179.5(6) . . . . ?
P6 C17 C18 C19 176.3(3) . . . . ?
P6 C17 C22 C21 -176.0(4) . . . . ?
P6 C53 C54 C55 177.1(3) . . . . ?
P6 C53 C58 C57 -176.9(4) . . . . ?
P7 C60 C130 C165 177.5(8) . . . . ?
P7 C60 C159 C156 -178.4(7) . . . . ?
P7 C145 C166 C180 -175.6(9) . . . . ?
P7 C176 C177 C178 -177.7(6) . . . . ?
P8 C79 C80 C81 -177.4(5) . . . . ?
P8 C79 C84 C83 177.6(4) . . . . ?
P8 C103 C104 C105 -178.1(4) . . . . ?
P8 C103 C108 C107 178.2(4) . . . . ?
P8 C124 C125 C126 179.8(4) . . . . ?
P8 C124 C129 C128 -179.9(4) . . . . ?
F1 C109 C150 C119 180.0(7) . . . . ?
F1 C109 C155 C37 -180.0(7) . . . . ?
F2 C160 C162 C91 -179.7(8) . . . . ?
F4 C76 C77 C78 -178.9(7) . . . . ?
F6 C67 C68 C69 -179.5(8) . . . . ?
C1 P1 C2 C51 111.6(5) . . . . ?
C1 P1 C2 C132 -69.9(6) . . . . ?
C1 P1 C10 C11 -169.9(3) . . . . ?
C1 P1 C10 C15 16.3(4) . . . . ?
C1 C47 C97 C135 -3.1(11) . . . . ?
C1 C71 C153 C135 -0.4(13) . . . . ?
C2 P1 C1 C47 176.3(5) . . . . ?
C2 P1 C1 C71 -3.0(6) . . . . ?
C2 P1 C10 C11 82.3(3) . . . . ?
C2 P1 C10 C15 -91.5(3) . . . . ?
C2 C51 C144 C122 1.8(13) . . . . ?
C3 C16 C148 Cl4 -179.0(6) . . . . ?
C3 C16 C148 C169 0.6(12) . . . . ?
C3 C88 C179 F5 -177.8(10) . . . . ?
C3 C88 C179 C169 3.3(19) . . . . ?
C4 C37 C155 C109 0.4(11) . . . . ?
C4 C119 C150 C109 -0.5(12) . . . . ?
C5 C45 C85 C116 -1.1(11) . . . . ?
C5 C49 C70 C116 -2.0(11) . . . . ?
C6 P4 C52 C87 103.6(6) . . . . ?
C6 P4 C52 C93 -71.5(5) . . . . ?
C6 P4 C62 C89 143.5(5) . . . . ?
C6 P4 C62 C96 -37.3(6) . . . . ?
C6 C90 C133 C146 1.3(11) . . . . ?
C7 P2 C35 C92 -103.7(5) . . . . ?
C7 P2 C35 C95 74.6(5) . . . . ?
C7 P2 C38 C50 -170.2(5) . . . . ?
C7 P2 C38 C102 15.8(6) . . . . ?
C7 C36 C94 C154 1.1(11) . . . . ?
C7 C98 C163 C154 -1.3(11) . . . . ?
C8 C48 C101 C160 1.9(12) . . . . ?
C8 C91 C162 C160 1.5(12) . . . . ?
C9 P6 C17 C18 -74.1(3) . . . . ?
C9 P6 C17 C22 102.1(3) . . . . ?
C9 P6 C53 C54 147.4(3) . . . . ?
C9 P6 C53 C58 -35.6(4) . . . . ?
C9 C46 C86 C157 2.3(13) . . . . ?
C9 C72 C120 C157 -2.5(12) . . . . ?
C10 P1 C1 C47 71.0(5) . . . . ?
C10 P1 C1 C71 -108.2(6) . . . . ?
C10 P1 C2 C51 -142.3(5) . . . . ?
C10 P1 C2 C132 36.3(6) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
C16 C3 C88 C179 -4.2(15) . . . . ?
C16 C148 C169 C179 -1.5(15) . . . . ?
C17 P6 C9 C46 149.6(5) . . . . ?
C17 P6 C9 C72 -28.0(6) . . . . ?
C17 P6 C53 C54 -105.7(3) . . . . ?
C17 P6 C53 C58 71.3(3) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C17 0.0 . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
C23 P3 C111 C110 70.5(3) . . . . ?
C23 P3 C111 C112 -110.1(3) . . . . ?
C23 P3 C140 C139 -27.4(4) . . . . ?
C23 P3 C140 C141 152.0(3) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
C29 P5 C39 C40 -23.2(3) . . . . ?
C29 P5 C39 C44 160.0(3) . . . . ?
C29 P5 C59 C134 -107.5(6) . . . . ?
C29 P5 C59 C152 71.4(7) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C29 0.0 . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
C35 P2 C7 C36 -140.1(5) . . . . ?
C35 P2 C7 C98 36.2(6) . . . . ?
C35 P2 C38 C50 84.6(5) . . . . ?
C35 P2 C38 C102 -89.4(6) . . . . ?
C35 C92 C117 C61 -1.0(10) . . . . ?
C35 C95 C100 C61 -3.0(11) . . . . ?
C36 C7 C98 C163 0.4(10) . . . . ?
C36 C94 C154 C163 -2.0(11) . . . . ?
C37 C4 C119 Cl3 178.3(5) . . . . ?
C37 C4 C119 C150 -0.2(10) . . . . ?
C38 P2 C7 C36 112.9(5) . . . . ?
C38 P2 C7 C98 -70.8(6) . . . . ?
C38 P2 C35 C92 6.3(6) . . . . ?
C38 P2 C35 C95 -175.4(5) . . . . ?
C38 C50 C143 C161 -1.5(12) . . . . ?
C38 C102 C123 C161 -1.9(12) . . . . ?
C39 P5 C29 C30 -70.4(3) . . . . ?
C39 P5 C29 C34 107.2(3) . . . . ?
C39 P5 C59 C134 144.8(6) . . . . ?
C39 P5 C59 C152 -36.3(7) . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C39 C44 C43 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C39 0.0 . . . . ?
C44 C39 C40 C41 0.0 . . . . ?
C45 C5 C49 C70 1.4(9) . . . . ?
C45 C85 C116 F3 179.5(7) . . . . ?
C45 C85 C116 C70 0.4(12) . . . . ?
C46 C9 C72 C120 2.9(10) . . . . ?
C46 C86 C157 C120 -1.8(13) . . . . ?
C47 C1 C71 C153 -2.7(10) . . . . ?
C47 C97 C135 C153 0.0(12) . . . . ?
C48 C8 C91 Cl2 176.2(5) . . . . ?
C48 C8 C91 C162 -1.5(10) . . . . ?
C48 C101 C160 F2 178.0(8) . . . . ?
C48 C101 C160 C162 -1.9(14) . . . . ?
C49 C5 C45 Cl1 -178.3(4) . . . . ?
C49 C5 C45 C85 0.2(9) . . . . ?
C49 C70 C116 F3 -178.0(7) . . . . ?
C49 C70 C116 C85 1.1(12) . . . . ?
C50 C38 C102 C123 -0.1(10) . . . . ?
C50 C143 C161 C123 -0.4(13) . . . . ?
C51 C2 C132 C118 0.1(11) . . . . ?
C52 P4 C6 C90 156.4(5) . . . . ?
C52 P4 C6 C99 -23.1(5) . . . . ?
C52 P4 C62 C89 -109.6(5) . . . . ?
C52 P4 C62 C96 69.6(6) . . . . ?
C52 C87 C168 C158 0.1(13) . . . . ?
C52 C93 C136 C158 0.3(13) . . . . ?
C53 P6 C9 C46 -102.3(6) . . . . ?
C53 P6 C9 C72 80.2(6) . . . . ?
C53 P6 C17 C18 177.9(3) . . . . ?
C53 P6 C17 C22 -5.9(3) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C53 C58 C57 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C53 0.0 . . . . ?
C58 C53 C54 C55 0.0 . . . . ?
C59 P5 C29 C30 -177.5(3) . . . . ?
C59 P5 C29 C34 0.1(4) . . . . ?
C59 P5 C39 C40 85.9(3) . . . . ?
C59 P5 C39 C44 -90.9(3) . . . . ?
C59 C134 C171 C164 0.8(14) . . . . ?
C59 C152 C170 C164 2.2(15) . . . . ?
C60 P7 C145 C131 -78.5(6) . . . . ?
C60 P7 C145 C166 101.0(8) . . . . ?
C60 P7 C176 C175 163.3(5) . . . . ?
C60 P7 C176 C177 -18.9(5) . . . . ?
C60 C130 C165 C147 1.5(15) . . . . ?
C62 P4 C6 C90 -95.1(5) . . . . ?
C62 P4 C6 C99 85.4(5) . . . . ?
C62 P4 C52 C87 -4.7(7) . . . . ?
C62 P4 C52 C93 -179.7(5) . . . . ?
C62 C89 C149 C151 -0.4(12) . . . . ?
C62 C96 C121 C151 -1.4(12) . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C64 C69 Cl6 180.0(5) . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C65 C66 C67 F6 179.5(8) . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 Cl6 -180.0(5) . . . . ?
C67 C68 C69 C64 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C71 C1 C47 C97 4.5(10) . . . . ?
C72 C9 C46 C86 -2.8(11) . . . . ?
C72 C120 C157 C86 1.9(13) . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C73 C78 Cl5 -179.9(4) . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C74 C75 C76 F4 178.9(7) . . . . ?
C74 C75 C76 C77 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C76 C77 C78 Cl5 179.9(4) . . . . ?
C76 C77 C78 C73 0.0 . . . . ?
C78 C73 C74 C75 0.0 . . . . ?
C79 P8 C103 C104 67.4(4) . . . . ?
C79 P8 C103 C108 -110.8(3) . . . . ?
C79 P8 C124 C125 -11.5(4) . . . . ?
C79 P8 C124 C129 168.3(3) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C87 C52 C93 C136 -0.4(11) . . . . ?
C88 C3 C16 S2 -178.2(7) . . . . ?
C88 C3 C16 C148 2.3(12) . . . . ?
C89 C62 C96 C121 1.1(11) . . . . ?
C89 C149 C151 C121 0.2(13) . . . . ?
C90 C6 C99 C63 0.5(9) . . . . ?
C90 C133 C146 C63 0.1(12) . . . . ?
C91 C8 C48 C101 -0.3(10) . . . . ?
C92 C35 C95 C100 3.4(10) . . . . ?
C93 C52 C87 C168 0.2(11) . . . . ?
C93 C136 C158 C168 0.1(14) . . . . ?
C94 C154 C163 C98 2.1(12) . . . . ?
C95 C35 C92 C117 -1.3(9) . . . . ?
C96 C62 C89 C149 -0.2(10) . . . . ?
C96 C121 C151 C149 0.8(13) . . . . ?
C97 C135 C153 C71 1.8(14) . . . . ?
C98 C7 C36 C94 -0.3(9) . . . . ?
C99 C6 C90 C133 -1.6(10) . . . . ?
C99 C63 C146 C133 -1.2(11) . . . . ?
C100 C61 C117 C92 1.3(11) . . . . ?
C101 C160 C162 C91 0.2(14) . . . . ?
C102 C38 C50 C143 1.8(10) . . . . ?
C102 C123 C161 C143 2.2(13) . . . . ?
C103 P8 C79 C80 -3.4(4) . . . . ?
C103 P8 C79 C84 179.1(3) . . . . ?
C103 P8 C124 C125 95.6(4) . . . . ?
C103 P8 C124 C129 -84.5(4) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C104 C103 C108 C107 0.0 . . . . ?
C104 C105 C106 C107 0.0 . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C106 C107 C108 C103 0.0 . . . . ?
C108 C103 C104 C105 0.0 . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 P3 C23 C24 -175.4(3) . . . . ?
C111 P3 C23 C28 1.4(3) . . . . ?
C111 P3 C140 C139 81.0(4) . . . . ?
C111 P3 C140 C141 -99.6(3) . . . . ?
C111 C110 C115 C114 0.0 . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C112 C113 C114 C115 0.0 . . . . ?
C113 C114 C115 C110 0.0 . . . . ?
C115 C110 C111 P3 179.3(4) . . . . ?
C115 C110 C111 C112 0.0 . . . . ?
C117 C61 C100 C95 0.6(12) . . . . ?
C118 C122 C144 C51 -2.5(15) . . . . ?
C119 C4 C37 C155 0.2(10) . . . . ?
C122 C118 C132 C2 -0.9(12) . . . . ?
C124 P8 C79 C80 105.2(4) . . . . ?
C124 P8 C79 C84 -72.3(4) . . . . ?
C124 P8 C103 C104 -40.0(4) . . . . ?
C124 P8 C103 C108 141.8(3) . . . . ?
C124 C125 C126 C127 0.0 . . . . ?
C125 C124 C129 C128 0.0 . . . . ?
C125 C126 C127 C128 0.0 . . . . ?
C126 C127 C128 C129 0.0 . . . . ?
C127 C128 C129 C124 0.0 . . . . ?
C129 C124 C125 C126 0.0 . . . . ?
C130 C60 C159 C156 1.8(12) . . . . ?
C131 C145 C166 C180 4.0(15) . . . . ?
C132 C2 C51 C144 -0.6(11) . . . . ?
C132 C118 C122 C144 2.1(14) . . . . ?
C134 C59 C152 C170 -1.0(13) . . . . ?
C136 C158 C168 C87 -0.2(14) . . . . ?
C137 C138 C139 C140 0.0 . . . . ?
C138 C137 C142 C141 0.0 . . . . ?
C138 C139 C140 P3 179.4(4) . . . . ?
C138 C139 C140 C141 0.0 . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 P3 C23 C24 -67.0(3) . . . . ?
C140 P3 C23 C28 109.8(3) . . . . ?
C140 P3 C111 C110 -35.8(3) . . . . ?
C140 P3 C111 C112 143.5(3) . . . . ?
C140 C141 C142 C137 0.0 . . . . ?
C142 C137 C138 C139 0.0 . . . . ?
C145 P7 C60 C130 161.8(6) . . . . ?
C145 P7 C60 C159 -17.9(7) . . . . ?
C145 P7 C176 C175 -91.2(5) . . . . ?
C145 P7 C176 C177 86.5(5) . . . . ?
C145 C131 C172 C167 1.3(13) . . . . ?
C145 C166 C180 C167 -3(2) . . . . ?
C146 C63 C99 C6 0.9(10) . . . . ?
C147 C156 C159 C60 0.4(14) . . . . ?
C148 C169 C179 F5 -179.4(10) . . . . ?
C148 C169 C179 C88 -0.5(18) . . . . ?
C150 C109 C155 C37 -1.2(12) . . . . ?
C152 C59 C134 C171 -0.5(12) . . . . ?
C155 C109 C150 C119 1.2(13) . . . . ?
C156 C147 C165 C130 0.8(16) . . . . ?
C159 C60 C130 C165 -2.8(13) . . . . ?
C165 C147 C156 C159 -1.7(15) . . . . ?
C170 C164 C171 C134 0.5(15) . . . . ?
C171 C164 C170 C152 -2.0(16) . . . . ?
C172 C131 C145 P7 176.6(6) . . . . ?
C172 C131 C145 C166 -3.0(12) . . . . ?
C172 C167 C180 C166 2(2) . . . . ?
C173 C174 C175 C176 0.0 . . . . ?
C174 C173 C178 C177 0.0 . . . . ?
C174 C175 C176 P7 177.8(5) . . . . ?
C174 C175 C176 C177 0.0 . . . . ?
C175 C176 C177 C178 0.0 . . . . ?
C176 P7 C60 C130 -90.8(6) . . . . ?
C176 P7 C60 C159 89.5(7) . . . . ?
C176 P7 C145 C131 174.4(5) . . . . ?
C176 P7 C145 C166 -6.0(8) . . . . ?
C176 C177 C178 C173 0.0 . . . . ?
C178 C173 C174 C175 0.0 . . . . ?
C180 C167 C172 C131 -0.7(18) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.043 0.250 2247 581 ' '
2 0.000 0.025 0.750 2247 581 ' '
3 0.500 0.043 0.250 2247 581 ' '
4 0.500 -0.049 0.750 2247 581 ' '
