#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:35:04 +0200 (Sat 05 de Apr de 2025) $
#$Revision: 298981 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/40/1574029.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_1574029
loop_
_publ_author_name
'Lin, Yan-Yan'
'Nan, Zi-Ang'
'Lei, Zhen'
'Wang, Quan-Ming'
_publ_section_title
;
 Efficient synthesis of Au₃₆(SR)₂₄ nanoclusters
 via the cluster-from-cluster approach.
;
_journal_issue                   14
_journal_name_full               Nanoscale
_journal_page_first              8724
_journal_page_last               8730
_journal_paper_doi               10.1039/d5nr00203f
_journal_volume                  17
_journal_year                    2025
_chemical_formula_moiety         'C168 H165 Au36 S24'
_chemical_formula_sum            'C168 H168 Au36 S24'
_chemical_formula_weight         10047.25
_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
_audit_creation_date             2021-05-14
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2025-01-15 deposited with the CCDC.	2025-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.89(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   64.631(16)
_cell_length_b                   22.2308(18)
_cell_length_c                   32.333(4)
_cell_measurement_reflns_used    5850
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      56.4570
_cell_measurement_theta_min      3.6920
_cell_volume                     44452(14)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector_area_resol_mean 10.4273
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1085
_diffrn_reflns_av_unetI/netI     0.1515
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       76
_diffrn_reflns_limit_h_min       -71
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            75699
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        65.958
_diffrn_reflns_theta_max         65.958
_diffrn_reflns_theta_min         3.517
_exptl_absorpt_coefficient_mu    45.763
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    3.002
_exptl_crystal_description       block
_exptl_crystal_F_000             35232
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.915
_refine_diff_density_min         -2.545
_refine_diff_density_rms         0.337
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1998
_refine_ls_number_reflns         36976
_refine_ls_number_restraints     1651
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1636
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.085
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1194P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2032
_refine_ls_wR_factor_ref         0.2675
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16761
_reflns_number_total             36976
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nr00203f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1574029--1574035.cif.'
_cod_original_cell_volume        44453(14)
_cod_database_code               1574029
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Sof: Au35(0.5) Au36(0.5) Au37(0.5) Au38(0.5) S11(0.5) S12(0.5)
 C114(0.5) C113(0.5) H113(0.5) C112(0.5) H112(0.5) C111(0.5) C116(0.5)
 H116(0.5) C115(0.5) H115(0.5) C117(0.5) C121(0.5) C126(0.5) H126(0.5)
 C125(0.5) H125(0.5) C124(0.5) C123(0.5) H123(0.5) C122(0.5) H122(0.5) C127(0.5)
 Fixed Uiso: H12(0.101) H13(0.101) H15(0.101) H16(0.101) H17A(0.127)
 H17B(0.127) H17C(0.127) H22(0.107) H23(0.107) H25(0.107) H26(0.107)
 H27A(0.134) H27B(0.134) H27C(0.134) H32(0.112) H33(0.112) H35(0.112)
 H36(0.112) H37A(0.141) H37B(0.141) H37C(0.141) H45(0.089) H46(0.088)
 H42(0.088) H43(0.089) H47A(0.113) H47B(0.113) H47C(0.113) H52(0.102)
 H53(0.102) H55(0.102) H56(0.102) H57A(0.128) H57B(0.128) H57C(0.128)
 H66(0.105) H65(0.105) H63(0.105) H62(0.105) H67A(0.133) H67B(0.133)
 H67C(0.133) H73(0.101) H75(0.101) H76(0.101) H72(0.101) H77A(0.129)
 H77B(0.129) H77C(0.129) H82(0.122) H83(0.122) H85(0.122) H86(0.122)
 H87A(0.153) H87B(0.153) H87C(0.153) H92(0.102) H93(0.102) H95(0.102)
 H96(0.102) H97A(0.128) H97B(0.128) H97C(0.128) H106(0.176) H105(0.177)
 H103(0.177) H102(0.176) H10A(0.222) H10B(0.222) H10C(0.222) H113(0.259)
 H112(0.259) H116(0.259) H115(0.259) H126(0.259) H125(0.259) H123(0.259)
 H122(0.259) H136(0.172) H132(0.172) H133(0.172) H135(0.172) H13A(0.216)
 H13B(0.216) H13C(0.216) H142(0.1) H143(0.1) H145(0.1) H146(0.1) H14A(0.126)
 H14B(0.126) H14C(0.126) H152(0.085) H153(0.085) H155(0.085) H156(0.084)
 H15A(0.107) H15B(0.107) H15C(0.107) H163(0.139) H165(0.139) H166(0.139)
 H162(0.139) H16A(0.175) H16B(0.175) H16C(0.175) H172(0.102) H173(0.102)
 H175(0.102) H176(0.102) H17D(0.129) H17E(0.129) H17F(0.129) H183(0.096)
 H182(0.095) H186(0.095) H185(0.095) H18A(0.121) H18B(0.121) H18C(0.121)
 H192(0.118) H193(0.118) H195(0.118) H196(0.118) H19A(0.149) H19B(0.149)
 H19C(0.149) H202(0.105) H206(0.105) H205(0.105) H203(0.105) H20A(0.133)
 H20B(0.133) H20C(0.133) H216(0.102) H215(0.102) H213(0.102) H212(0.102)
 H21A(0.13) H21B(0.13) H21C(0.13) H222(0.117) H223(0.118) H225(0.117)
 H226(0.117) H22A(0.148) H22B(0.148) H22C(0.148) H236(0.122) H235(0.122)
 H233(0.122) H232(0.122) H23A(0.154) H23B(0.154) H23C(0.154) H246(0.127)
 H242(0.127) H243(0.127) H245(0.127) H24A(0.16) H24B(0.16) H24C(0.16)
 H252(0.12) H253(0.12) H255(0.12) H256(0.12) H25A(0.15) H25B(0.15) H25C(0.15)
 Fixed X: H12(0.215263) H13(0.224162) H15(0.164654) H16(0.152988)
 H17A(0.203867) H17B(0.19159) H17C(0.216103) H22(0.247885) H23(0.280445)
 H25(0.301066) H26(0.270168) H27A(0.314415) H27B(0.326146) H27C(0.322608)
 H32(0.248181) H33(0.273739) H35(0.265394) H36(0.23666) H37A(0.284792)
 H37B(0.288566) H37C(0.302213) H45(0.120562) H46(0.128158) H42(0.065867)
 H43(0.05827) H47A(0.083272) H47B(0.075776) H47C(0.100436) H52(0.026119)
 H53(0.000928) H55(-0.011077) H56(0.014779) H57A(-0.020488) H57B(-0.03824)
 H57C(-0.032221) H66(0.049222) H65(0.02559) H63(-0.007605) H62(0.016026) H67A(-
 0.011403) H67B(-0.020396) H67C(0.000427) H73(0.171053) H75(0.145983)
 H76(0.169618) H72(0.194689) H77A(0.141435) H77B(0.127838) H77C(0.148481)
 H82(0.193306) H83(0.170062) H85(0.141508) H86(0.166762) H87A(0.12374)
 H87B(0.135493) H87C(0.142313) H92(0.154913) H93(0.131688) H95(0.136314)
 H96(0.160473) H97A(0.103579) H97B(0.112956) H97C(0.124265) H106(0.094026)
 H105(0.115608) H103(0.108178) H102(0.086595) H10A(0.119297) H10B(0.133554)
 H10C(0.139824) H113(0.063519) H112(0.049393) H116(0.099528) H115(0.113655)
 H126(0.114152) H125(0.137119) H123(0.114625) H122(0.091657) H136(0.123857)
 H132(0.128155) H133(0.151386) H135(0.147088) H13A(0.18085) H13B(0.171362)
 H13C(0.161675) H142(0.158609) H143(0.17742) H145(0.232767) H146(0.214104)
 H14A(0.210219) H14B(0.232164) H14C(0.223558) H152(0.118464) H153(0.088555)
 H155(0.06175) H156(0.087734) H15A(0.049373) H15B(0.040714) H15C(0.057162)
 H163(0.053498) H165(0.113959) H166(0.127574) H162(0.067113) H16A(0.068016)
 H16B(0.084683) H16C(0.061818) H172(0.043614) H173(0.018137) H175(0.001374)
 H176(0.030946) H17D(-0.007682) H17E(-0.021217) H17F(-0.020735) H183(0.120596)
 H182(0.141829) H186(0.091746) H185(0.070513) H18A(0.072391) H18B(0.067305)
 H18C(0.086979) H192(0.092529) H193(0.071389) H195(0.054525) H196(0.075665)
 H19A(0.033182) H19B(0.051927) H19C(0.05255) H202(0.038269) H206(0.050772)
 H205(0.029231) H203(0.016727) H20A(0.001766) H20B(-0.007287) H20C(0.012782)
 H216(0.22444) H215(0.251497) H213(0.283963) H212(0.256906) H21A(0.291018)
 H21B(0.303086) H21C(0.288475) H222(0.231347) H223(0.249518) H225(0.249182)
 H226(0.232394) H22A(0.251636) H22B(0.262854) H22C(0.274216) H236(0.149772)
 H235(0.174406) H233(0.211773) H232(0.187139) H23A(0.224476) H23B(0.218933)
 H23C(0.206815) H246(0.18556) H242(0.129722) H243(0.145031) H245(0.200869)
 H24A(0.195869) H24B(0.194728) H24C(0.176029) H252(0.189953) H253(0.215003)
 H255(0.235537) H256(0.207018) H25A(0.244158) H25B(0.259217) H25C(0.244667)
 Fixed Y: H12(0.178387) H13(0.098573) H15(0.080544) H16(0.164358)
 H17A(0.052998) H17B(0.00706) H17C(0.020823) H22(0.239051) H23(0.186177)
 H25(0.291874) H26(0.340857) H27A(0.158523) H27B(0.218188) H27C(0.203223)
 H32(0.278238) H33(0.220084) H35(0.331214) H36(0.378362) H37A(0.191722)
 H37B(0.248903) H37C(0.239394) H45(0.111257) H46(0.070763) H42(0.090416)
 H43(0.13091) H47A(0.197607) H47B(0.136602) H47C(0.152744) H52(0.000395)
 H53(0.062305) H55(0.125755) H56(0.072063) H57A(0.180363) H57B(0.147586)
 H57C(0.123478) H66(0.090046) H65(0.163163) H63(0.154328) H62(0.081211)
 H67A(0.200761) H67B(0.220689) H67C(0.251214) H73(-0.194679) H75(-0.213263)
 H76(-0.140571) H72(-0.121985) H77A(-0.258268) H77B(-0.260099) H77C(-0.300501)
 H82(-0.183411) H83(-0.258479) H85(-0.156085) H86(-0.082378) H87A(-0.257892)
 H87B(-0.274424) H87C(-0.305883) H92(0.025532) H93(0.023896) H95(0.202947)
 H96(0.199016) H97A(0.085817) H97B(0.147324) H97C(0.086887) H106(0.490334)
 H105(0.554716) H103(0.448167) H102(0.383784) H10A(0.585107) H10B(0.531093)
 H10C(0.566068) H113(0.62879) H112(0.53664) H116(0.512854) H115(0.605003)
 H126(0.506788) H125(0.589294) H123(0.639827) H122(0.557321) H136(0.265402)
 H132(0.430657) H133(0.459514) H135(0.29426) H13A(0.413071) H13B(0.363444)
 H13C(0.428603) H142(-0.060994) H143(-0.128159) H145(-0.045705) H146(0.013918)
 H14A(-0.169529) H14B(-0.152412) H14C(-0.11434) H152(-0.112405) H153(-0.162891)
 H155(-0.15054) H156(-0.097496) H15A(-0.184383) H15B(-0.19367) H15C(-0.239682)
 H163(0.302058) H165(0.34437) H166(0.293598) H162(0.251286) H16A(0.331017)
 H16B(0.383341) H16C(0.386849) H172(0.272629) H173(0.342027) H175(0.228881)
 H176(0.165097) H17D(0.365956) H17E(0.308016) H17F(0.334155) H183(-0.207149)
 H182(-0.121978) H186(-0.036337) H185(-0.121507) H18A(-0.229753) H18B(-0.22627)
 H18C(-0.264394) H192(0.031859) H193(-0.003394) H195(0.166291) H196(0.201546)
 H19A(0.061416) H19B(0.088062) H19C(0.020365) H202(0.329387) H206(0.259703)
 H205(0.332907) H203(0.402593) H20A(0.399235) H20B(0.424609) H20C(0.455051)
 H216(0.041621) H215(-0.000616) H213(0.155926) H212(0.198164) H21A(0.06161)
 H21B(0.055401) H21C(0.002776) H222(0.042967) H223(-0.011899) H225(0.138635)
 H226(0.188385) H22A(-0.013158) H22B(0.046597) H22C(0.004827) H236(0.385574)
 H235(0.427292) H233(0.478471) H232(0.436754) H23A(0.454449) H23B(0.519384)
 H23C(0.492686) H246(0.462827) H242(0.478403) H243(0.552446) H245(0.536872)
 H24A(0.576961) H24B(0.624769) H24C(0.620641) H252(0.415364) H253(0.466756)
 H255(0.308681) H256(0.257981) H25A(0.463867) H25B(0.407896) H25C(0.412541)
 Fixed Z: H12(0.494362) H13(0.458683) H15(0.384286) H16(0.42021)
 H17A(0.363076) H17B(0.384262) H17C(0.406425) H22(0.536416) H23(0.557235)
 H25(0.660304) H26(0.642491) H27A(0.626853) H27B(0.64649) H27C(0.597541)
 H32(0.699288) H33(0.74959) H35(0.840484) H36(0.79196) H37A(0.832402)
 H37B(0.862034) H37C(0.829627) H45(0.348168) H46(0.417093) H42(0.413592)
 H43(0.344666) H47A(0.29737) H47B(0.273372) H47C(0.289403) H52(0.415111)
 H53(0.371963) H55(0.475661) H56(0.519555) H57A(0.38542) H57B(0.401382)
 H57C(0.360791) H66(0.717737) H65(0.728059) H63(0.602122) H62(0.591798)
 H67A(0.704159) H67B(0.655726) H67C(0.685818) H73(0.507595) H75(0.60698)
 H76(0.645335) H72(0.54595) H77A(0.497264) H77B(0.530269) H77C(0.537769)
 H82(0.729073) H83(0.729633) H85(0.799959) H86(0.803078) H87A(0.744458)
 H87B(0.79271) H87C(0.755284) H92(0.821436) H93(0.867127) H95(0.878648)
 H96(0.835518) H97A(0.893096) H97B(0.914055) H97C(0.93312) H106(0.526478)
 H105(0.500476) H103(0.39678) H102(0.422782) H10A(0.414452) H10B(0.407629)
 H10C(0.451627) H113(0.541494) H112(0.553397) H116(0.65985) H115(0.647948)
 H126(0.704602) H125(0.718663) H123(0.594305) H122(0.580243) H136(0.805234)
 H132(0.758051) H133(0.824269) H135(0.871453) H13A(0.892749) H13B(0.916518)
 H13C(0.911474) H142(0.45496) H143(0.427038) H145(0.491131) H146(0.524691)
 H14A(0.421687) H14B(0.455651) H14C(0.41331) H152(0.503613) H153(0.461357)
 H155(0.555692) H156(0.59632) H15A(0.447672) H15B(0.487763) H15C(0.478334)
 H163(0.323158) H165(0.323259) H166(0.388188) H162(0.388088) H16A(0.250435)
 H16B(0.26646) H16C(0.273978) H172(0.460172) H173(0.475654) H175(0.552293)
 H176(0.557679) H17D(0.527644) H17E(0.529461) H17F(0.484719) H183(0.660248)
 H182(0.680935) H186(0.704783) H185(0.684097) H18A(0.626835) H18B(0.671321)
 H18C(0.667006) H192(0.780584) H193(0.822402) H195(0.840778) H196(0.79896)
 H19A(0.854134) H19B(0.89203) H19C(0.878866) H202(0.591364) H206(0.710775)
 H205(0.728557) H203(0.609145) H20A(0.709735) H20B(0.662686) H20C(0.695296)
 H216(0.629908) H215(0.685952) H213(0.702619) H212(0.646575) H21A(0.761778)
 H21B(0.726362) H21C(0.734017) H222(0.741538) H223(0.806155) H225(0.873781)
 H226(0.809294) H22A(0.889581) H22B(0.910321) H22C(0.884456) H236(0.451823)
 H235(0.420239) H233(0.537323) H232(0.568907) H23A(0.459904) H23B(0.472342)
 H23C(0.426879) H246(0.68611) H242(0.591047) H243(0.558713) H245(0.653775)
 H24A(0.569078) H24B(0.60399) H24C(0.56052) H252(0.790236) H253(0.845478)
 H255(0.902026) H256(0.849435) H25A(0.90684) H25B(0.909244) H25C(0.940369)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
Au1 Au 0.19083(2) 0.09821(9) 0.55758(4) 0.0792(5) Uani 1 1 d . . . . .
Au2 Au 0.14753(2) -0.00768(8) 0.54612(4) 0.0677(4) Uani 1 1 d . . . . .
Au3 Au 0.12129(2) 0.11714(8) 0.52596(4) 0.0670(4) Uani 1 1 d . . . . .
Au4 Au 0.15622(2) 0.19373(8) 0.53671(4) 0.0733(5) Uani 1 1 d . . . . .
Au5 Au 0.12850(3) 0.30342(9) 0.49287(5) 0.0894(5) Uani 1 1 d . . . . .
Au6 Au 0.08628(3) 0.20406(9) 0.47748(5) 0.0798(5) Uani 1 1 d . . . . .
Au7 Au 0.19088(2) 0.21216(9) 0.61936(4) 0.0778(5) Uani 1 1 d . . . . .
Au8 Au 0.18002(2) 0.02175(8) 0.62442(4) 0.0695(4) Uani 1 1 d . . . . .
Au9 Au 0.11337(2) 0.04353(8) 0.59849(4) 0.0662(4) Uani 1 1 d . . . . .
Au10 Au 0.08657(2) 0.13864(8) 0.56929(4) 0.0688(4) Uani 1 1 d . . . . .
Au11 Au 0.15358(2) 0.12024(8) 0.60340(4) 0.0639(4) Uani 1 1 d . . . . .
Au12 Au 0.16343(3) 0.30570(9) 0.59059(5) 0.0811(5) Uani 1 1 d . . . . .
Au13 Au 0.12373(2) 0.22022(8) 0.57359(4) 0.0679(4) Uani 1 1 d . . . . .
Au14 Au 0.09585(3) 0.30838(9) 0.53715(5) 0.0815(5) Uani 1 1 d . . . . .
Au15 Au 0.19157(3) 0.30842(9) 0.67226(5) 0.0836(5) Uani 1 1 d . . . . .
Au16 Au 0.18716(2) 0.11640(9) 0.68010(4) 0.0782(5) Uani 1 1 d . . . . .
Au17 Au 0.15190(2) 0.04439(8) 0.67153(4) 0.0692(4) Uani 1 1 d . . . . .
Au18 Au 0.08522(2) 0.07983(8) 0.64302(4) 0.0669(4) Uani 1 1 d . . . . .
Au19 Au 0.15746(2) 0.23065(8) 0.65635(4) 0.0689(4) Uani 1 1 d . . . . .
Au20 Au 0.12016(2) 0.14958(8) 0.64675(4) 0.0644(4) Uani 1 1 d . . . . .
Au21 Au 0.12510(3) 0.32872(9) 0.61749(5) 0.0819(5) Uani 1 1 d . . . . .
Au22 Au 0.09009(3) 0.25726(9) 0.60951(5) 0.0815(5) Uani 1 1 d . . . . .
Au23 Au 0.19589(3) 0.22978(10) 0.74462(4) 0.0859(5) Uani 1 1 d . . . . .
Au24 Au 0.15347(2) 0.15659(8) 0.72187(4) 0.0715(5) Uani 1 1 d . . . . .
Au25 Au 0.11880(2) 0.07065(8) 0.72968(4) 0.0730(5) Uani 1 1 d . . . . .
Au26 Au 0.16041(3) 0.35132(10) 0.71564(5) 0.0911(6) Uani 1 1 d . . . . .
Au27 Au 0.12535(2) 0.25296(8) 0.69503(4) 0.0757(5) Uani 1 1 d . . . . .
Au28 Au 0.08310(2) 0.18581(8) 0.69369(4) 0.0734(4) Uani 1 1 d . . . . .
Au29 Au 0.20132(3) -0.06416(10) 0.69607(4) 0.0855(6) Uani 1 1 d . . . . .
Au30 Au 0.18614(3) 0.02392(10) 0.77411(4) 0.0862(6) Uani 1 1 d . . . . .
Au31 Au 0.07467(2) 0.01798(8) 0.49269(4) 0.0707(4) Uani 1 1 d . . . . .
Au32 Au 0.04949(2) 0.00988(9) 0.57695(5) 0.0807(5) Uani 1 1 d . . . . .
Au33 Au 0.20314(3) 0.28598(9) 0.53441(5) 0.0871(5) Uani 1 1 d . . . . .
Au34 Au 0.22451(3) 0.35937(10) 0.63638(5) 0.0962(6) Uani 1 1 d . . . . .
Au35 Au 0.06756(9) 0.4092(3) 0.55100(18) 0.1210(16) Uani 0.5 1 d . U P A 1
Au36 Au 0.08581(9) 0.3827(4) 0.6662(3) 0.0962(14) Uani 0.5 1 d . U P A 1
Au37 Au 0.07877(10) 0.4162(4) 0.56903(18) 0.1209(16) Uani 0.5 1 d . U P A 2
Au38 Au 0.09501(9) 0.3869(4) 0.6808(2) 0.0950(14) Uani 0.5 1 d . U P A 2
S1 S 0.17403(15) 0.2386(5) 0.4883(3) 0.084(2) Uani 1 1 d . U . . .
S2 S 0.23202(17) 0.3437(6) 0.5719(3) 0.089(2) Uani 1 1 d . U . . .
S3 S 0.22060(17) 0.3788(6) 0.7041(3) 0.093(2) Uani 1 1 d . U . . .
S4 S 0.10483(13) 0.0420(5) 0.4737(2) 0.072(2) Uani 1 1 d . U . . .
S5 S 0.04428(15) -0.0177(5) 0.5065(3) 0.084(2) Uani 1 1 d . U . . .
S6 S 0.05462(15) 0.0263(5) 0.6498(3) 0.087(2) Uani 1 1 d . U . . .
S7 S 0.20223(15) -0.0652(5) 0.6252(3) 0.083(2) Uani 1 1 d . U . . .
S8 S 0.20134(17) -0.0678(6) 0.7670(3) 0.101(3) Uani 1 1 d . U . . .
S9 S 0.17574(15) 0.1182(5) 0.7895(2) 0.084(2) Uani 1 1 d . U . . .
S10 S 0.07186(18) 0.3781(6) 0.4924(5) 0.146(4) Uani 1 1 d . U . . .
S11 S 0.0624(5) 0.4461(14) 0.6170(14) 0.216(3) Uani 0.5 1 d D U P A 1
S12 S 0.0833(5) 0.4617(16) 0.6304(14) 0.216(3) Uani 0.5 1 d D U P A 2
S13 S 0.10662(18) 0.3242(6) 0.7267(4) 0.143(3) Uani 1 1 d D U . . .
S14 S 0.16754(15) 0.0382(5) 0.5064(2) 0.083(2) Uani 1 1 d . U . . .
S15 S 0.12725(14) -0.0507(5) 0.5867(2) 0.0697(19) Uani 1 1 d . U . . .
S16 S 0.1116(2) 0.2314(7) 0.4431(3) 0.114(3) Uani 1 1 d . U . . .
S17 S 0.05965(16) 0.1597(5) 0.5031(3) 0.084(2) Uani 1 1 d . U . . .
S18 S 0.13750(15) -0.0132(5) 0.7191(2) 0.079(2) Uani 1 1 d . U . . .
S19 S 0.10453(18) 0.1493(6) 0.7580(3) 0.097(3) Uani 1 1 d . U . . .
S20 S 0.06023(16) 0.2275(5) 0.6320(3) 0.086(2) Uani 1 1 d . U . . .
S21 S 0.21751(16) 0.1637(5) 0.5935(3) 0.084(2) Uani 1 1 d . U . . .
S22 S 0.21843(15) 0.1648(6) 0.7224(3) 0.097(2) Uani 1 1 d . U . . .
S23 S 0.1465(2) 0.3782(6) 0.5377(3) 0.101(3) Uani 1 1 d . U . . .
S24 S 0.13907(19) 0.4116(6) 0.6626(4) 0.106(3) Uani 1 1 d . U . . .
S25 S 0.17579(17) 0.2918(6) 0.7752(3) 0.099(3) Uani 1 1 d . U . . .
C11 C 0.1827(6) 0.180(2) 0.4602(10) 0.084(2) Uani 1 1 d . U . . .
C12 C 0.2048(6) 0.1599(19) 0.4720(10) 0.084(2) Uani 1 1 d . U . . .
H12 H 0.215263 0.178387 0.494362 0.101 Uiso 1 1 calc R U . . .
C13 C 0.2101(6) 0.1137(19) 0.4497(10) 0.084(2) Uani 1 1 d . U . . .
H13 H 0.224162 0.098573 0.458683 0.101 Uiso 1 1 calc R U . . .
C14 C 0.1962(6) 0.0894(16) 0.4158(10) 0.084(2) Uani 1 1 d D U . . .
C15 C 0.1746(6) 0.1026(19) 0.4054(10) 0.084(2) Uani 1 1 d . U . . .
H15 H 0.164654 0.080544 0.384286 0.101 Uiso 1 1 calc R U . . .
C16 C 0.1674(6) 0.1523(19) 0.4278(10) 0.084(2) Uani 1 1 d . U . . .
H16 H 0.152988 0.164358 0.420210 0.101 Uiso 1 1 calc R U . . .
C17 C 0.2025(6) 0.0377(15) 0.3899(10) 0.085(3) Uani 1 1 d D U . . .
H17A H 0.203867 0.052998 0.363076 0.127 Uiso 1 1 calc R U . . .
H17B H 0.191590 0.007060 0.384262 0.127 Uiso 1 1 calc R U . . .
H17C H 0.216103 0.020823 0.406425 0.127 Uiso 1 1 calc R U . . .
C21 C 0.2543(6) 0.298(2) 0.5879(11) 0.089(2) Uani 1 1 d . U . . .
C22 C 0.2584(7) 0.250(2) 0.5617(12) 0.089(2) Uani 1 1 d . U . . .
H22 H 0.247885 0.239051 0.536416 0.107 Uiso 1 1 calc R U . . .
C23 C 0.2784(6) 0.218(2) 0.5741(11) 0.089(2) Uani 1 1 d . U . . .
H23 H 0.280445 0.186177 0.557235 0.107 Uiso 1 1 calc R U . . .
C24 C 0.2945(5) 0.2331(19) 0.6095(11) 0.089(2) Uani 1 1 d D U . . .
C25 C 0.2904(7) 0.281(2) 0.6353(12) 0.089(2) Uani 1 1 d . U . . .
H25 H 0.301066 0.291874 0.660304 0.107 Uiso 1 1 calc R U . . .
C26 C 0.2718(6) 0.310(2) 0.6244(11) 0.089(2) Uani 1 1 d . U . . .
H26 H 0.270168 0.340857 0.642491 0.107 Uiso 1 1 calc R U . . .
C27 C 0.3165(5) 0.2001(18) 0.6212(11) 0.089(3) Uani 1 1 d D U . . .
H27A H 0.314415 0.158523 0.626853 0.134 Uiso 1 1 calc R U . . .
H27B H 0.326146 0.218188 0.646490 0.134 Uiso 1 1 calc R U . . .
H27C H 0.322608 0.203223 0.597541 0.134 Uiso 1 1 calc R U . . .
C31 C 0.2406(7) 0.336(2) 0.7408(12) 0.093(2) Uani 1 1 d . U . . .
C32 C 0.2514(7) 0.288(2) 0.7285(13) 0.093(2) Uani 1 1 d . U . . .
H32 H 0.248181 0.278238 0.699288 0.112 Uiso 1 1 calc R U . . .
C33 C 0.2669(7) 0.252(2) 0.7582(12) 0.094(3) Uani 1 1 d . U . . .
H33 H 0.273739 0.220084 0.749590 0.112 Uiso 1 1 calc R U . . .
C34 C 0.2710(6) 0.2682(18) 0.7988(11) 0.094(3) Uani 1 1 d D U . . .
C35 C 0.2609(7) 0.319(2) 0.8118(13) 0.093(3) Uani 1 1 d . U . . .
H35 H 0.265394 0.331214 0.840484 0.112 Uiso 1 1 calc R U . . .
C36 C 0.2447(7) 0.349(2) 0.7828(12) 0.093(2) Uani 1 1 d . U . . .
H36 H 0.236660 0.378362 0.791960 0.112 Uiso 1 1 calc R U . . .
C37 C 0.2883(6) 0.2338(18) 0.8341(10) 0.094(3) Uani 1 1 d D U . . .
H37A H 0.284792 0.191722 0.832402 0.141 Uiso 1 1 calc R U . . .
H37B H 0.288566 0.248903 0.862034 0.141 Uiso 1 1 calc R U . . .
H37C H 0.302213 0.239394 0.829627 0.141 Uiso 1 1 calc R U . . .
C44 C 0.0887(3) 0.1251(10) 0.3396(5) 0.074(2) Uani 1 1 d DG U . . .
C45 C 0.1096(3) 0.1071(11) 0.3613(6) 0.074(2) Uani 1 1 d G U . . .
H45 H 0.120562 0.111257 0.348168 0.089 Uiso 1 1 calc R U . . .
C46 C 0.1142(3) 0.0828(11) 0.4026(6) 0.074(2) Uani 1 1 d G U . . .
H46 H 0.128158 0.070763 0.417093 0.088 Uiso 1 1 calc R U . . .
C41 C 0.0978(3) 0.0766(10) 0.4222(5) 0.073(2) Uani 1 1 d G U . . .
C42 C 0.0768(3) 0.0946(11) 0.4005(5) 0.073(2) Uani 1 1 d G U . . .
H42 H 0.065867 0.090416 0.413592 0.088 Uiso 1 1 calc R U . . .
C43 C 0.0723(3) 0.1189(11) 0.3592(5) 0.074(2) Uani 1 1 d G U . . .
H43 H 0.058270 0.130910 0.344666 0.089 Uiso 1 1 calc R U . . .
C47 C 0.0869(5) 0.1559(15) 0.2958(7) 0.075(2) Uani 1 1 d D U . . .
H47A H 0.083272 0.197607 0.297370 0.113 Uiso 1 1 calc R U . . .
H47B H 0.075776 0.136602 0.273372 0.113 Uiso 1 1 calc R U . . .
H47C H 0.100436 0.152744 0.289403 0.113 Uiso 1 1 calc R U . . .
C51 C 0.0235(6) 0.028(2) 0.4743(12) 0.084(2) Uani 1 1 d . U . . .
C52 C 0.0186(6) 0.0268(19) 0.4278(11) 0.085(2) Uani 1 1 d . U . . .
H52 H 0.026119 0.000395 0.415111 0.102 Uiso 1 1 calc R U . . .
C53 C 0.0031(6) 0.0633(19) 0.4017(12) 0.085(2) Uani 1 1 d . U . . .
H53 H 0.000928 0.062305 0.371963 0.102 Uiso 1 1 calc R U . . .
C54 C -0.0092(5) 0.1013(18) 0.4181(11) 0.085(2) Uani 1 1 d D U . . .
C55 C -0.0033(6) 0.1003(19) 0.4629(12) 0.085(2) Uani 1 1 d . U . . .
H55 H -0.011077 0.125755 0.475661 0.102 Uiso 1 1 calc R U . . .
C56 C 0.0120(6) 0.0675(19) 0.4899(12) 0.085(2) Uani 1 1 d . U . . .
H56 H 0.014779 0.072063 0.519555 0.102 Uiso 1 1 calc R U . . .
C57 C -0.0267(5) 0.1420(17) 0.3886(11) 0.085(3) Uani 1 1 d D U . . .
H57A H -0.020488 0.180363 0.385420 0.128 Uiso 1 1 calc R U . . .
H57B H -0.038240 0.147586 0.401382 0.128 Uiso 1 1 calc R U . . .
H57C H -0.032221 0.123478 0.360791 0.128 Uiso 1 1 calc R U . . .
C61 C 0.0350(3) 0.0784(10) 0.6537(8) 0.087(2) Uani 1 1 d G U . . .
C66 C 0.0378(3) 0.1029(12) 0.6946(6) 0.088(2) Uani 1 1 d G U . . .
H66 H 0.049222 0.090046 0.717737 0.105 Uiso 1 1 calc R U . . .
C65 C 0.0237(4) 0.1467(12) 0.7007(6) 0.088(2) Uani 1 1 d G U . . .
H65 H 0.025590 0.163163 0.728059 0.105 Uiso 1 1 calc R U . . .
C64 C 0.0066(3) 0.1660(10) 0.6661(8) 0.088(2) Uani 1 1 d DG U . . .
C63 C 0.0038(3) 0.1414(12) 0.6253(6) 0.088(2) Uani 1 1 d G U . . .
H63 H -0.007605 0.154328 0.602122 0.105 Uiso 1 1 calc R U . . .
C62 C 0.0179(4) 0.0976(12) 0.6191(6) 0.088(2) Uani 1 1 d G U . . .
H62 H 0.016026 0.081211 0.591798 0.105 Uiso 1 1 calc R U . . .
C67 C -0.0075(5) 0.2142(14) 0.6792(12) 0.088(3) Uani 1 1 d D U . . .
H67A H -0.011403 0.200761 0.704159 0.133 Uiso 1 1 calc R U . . .
H67B H -0.020396 0.220689 0.655726 0.133 Uiso 1 1 calc R U . . .
H67C H 0.000427 0.251214 0.685818 0.133 Uiso 1 1 calc R U . . .
C73 C 0.1708(4) -0.1838(12) 0.5352(5) 0.085(2) Uani 1 1 d G U . . .
H73 H 0.171053 -0.194679 0.507595 0.101 Uiso 1 1 calc R U . . .
C74 C 0.1562(4) -0.2112(11) 0.5535(7) 0.085(2) Uani 1 1 d DG U . . .
C75 C 0.1557(3) -0.1950(11) 0.5947(7) 0.085(2) Uani 1 1 d G U . . .
H75 H 0.145983 -0.213263 0.606980 0.101 Uiso 1 1 calc R U . . .
C76 C 0.1699(4) -0.1514(12) 0.6177(5) 0.084(2) Uani 1 1 d G U . . .
H76 H 0.169618 -0.140571 0.645335 0.101 Uiso 1 1 calc R U . . .
C71 C 0.1845(4) -0.1241(11) 0.5994(7) 0.084(2) Uani 1 1 d G U . . .
C72 C 0.1849(3) -0.1403(12) 0.5582(6) 0.084(2) Uani 1 1 d G U . . .
H72 H 0.194689 -0.121985 0.545950 0.101 Uiso 1 1 calc R U . . .
C77 C 0.1422(5) -0.2624(14) 0.5272(10) 0.086(3) Uani 1 1 d D U . . .
H77A H 0.141435 -0.258268 0.497264 0.129 Uiso 1 1 calc R U . . .
H77B H 0.127838 -0.260099 0.530269 0.129 Uiso 1 1 calc R U . . .
H77C H 0.148481 -0.300501 0.537769 0.129 Uiso 1 1 calc R U . . .
C81 C 0.1823(5) -0.126(2) 0.7671(7) 0.101(3) Uani 1 1 d . U . . .
C82 C 0.1832(6) -0.179(2) 0.7442(9) 0.101(3) Uani 1 1 d . U . . .
H82 H 0.193306 -0.183411 0.729073 0.122 Uiso 1 1 calc R U . . .
C83 C 0.1694(6) -0.223(2) 0.7446(9) 0.102(3) Uani 1 1 d . U . . .
H83 H 0.170062 -0.258479 0.729633 0.122 Uiso 1 1 calc R U . . .
C84 C 0.1541(6) -0.2187(19) 0.7663(9) 0.102(3) Uani 1 1 d D U . . .
C85 C 0.1525(7) -0.162(2) 0.7872(9) 0.101(3) Uani 1 1 d . U . . .
H85 H 0.141508 -0.156085 0.799959 0.122 Uiso 1 1 calc R U . . .
C86 C 0.1671(6) -0.118(2) 0.7881(9) 0.101(3) Uani 1 1 d . U . . .
H86 H 0.166762 -0.082378 0.803078 0.122 Uiso 1 1 calc R U . . .
C87 C 0.1373(6) -0.2690(18) 0.7645(9) 0.102(3) Uani 1 1 d D U . . .
H87A H 0.123740 -0.257892 0.744458 0.153 Uiso 1 1 calc R U . . .
H87B H 0.135493 -0.274424 0.792710 0.153 Uiso 1 1 calc R U . . .
H87C H 0.142313 -0.305883 0.755284 0.153 Uiso 1 1 calc R U . . .
C91 C 0.1576(6) 0.115(2) 0.8216(10) 0.085(2) Uani 1 1 d . U . . .
C92 C 0.1508(6) 0.061(2) 0.8320(9) 0.085(2) Uani 1 1 d . U . . .
H92 H 0.154913 0.025532 0.821436 0.102 Uiso 1 1 calc R U . . .
C93 C 0.1368(6) 0.061(2) 0.8602(9) 0.085(2) Uani 1 1 d . U . . .
H93 H 0.131688 0.023896 0.867127 0.102 Uiso 1 1 calc R U . . .
C94 C 0.1310(5) 0.111(2) 0.8764(9) 0.085(2) Uani 1 1 d D U . . .
C95 C 0.1396(6) 0.167(2) 0.8675(9) 0.085(2) Uani 1 1 d . U . . .
H95 H 0.136314 0.202947 0.878648 0.102 Uiso 1 1 calc R U . . .
C96 C 0.1537(6) 0.164(2) 0.8401(9) 0.085(2) Uani 1 1 d . U . . .
H96 H 0.160473 0.199016 0.835518 0.102 Uiso 1 1 calc R U . . .
C97 C 0.1166(5) 0.107(2) 0.9071(9) 0.086(3) Uani 1 1 d D U . . .
H97A H 0.103579 0.085817 0.893096 0.128 Uiso 1 1 calc R U . . .
H97B H 0.112956 0.147324 0.914055 0.128 Uiso 1 1 calc R U . . .
H97C H 0.124265 0.086887 0.933120 0.128 Uiso 1 1 calc R U . . .
C101 C 0.0882(3) 0.4307(14) 0.4772(11) 0.147(4) Uani 1 1 d G U . . .
C106 C 0.0969(5) 0.4819(17) 0.5005(9) 0.147(4) Uani 1 1 d G U . . .
H106 H 0.094026 0.490334 0.526478 0.176 Uiso 1 1 calc R U . . .
C105 C 0.1098(5) 0.5205(14) 0.4849(9) 0.147(4) Uani 1 1 d DG U . . .
H105 H 0.115608 0.554716 0.500476 0.177 Uiso 1 1 calc R U . . .
C104 C 0.1140(4) 0.5078(13) 0.4460(9) 0.147(4) Uani 1 1 d DG U . . .
C103 C 0.1053(5) 0.4566(14) 0.4228(9) 0.147(4) Uani 1 1 d DG U . . .
H103 H 0.108178 0.448167 0.396780 0.177 Uiso 1 1 calc R U . . .
C102 C 0.0924(5) 0.4180(12) 0.4384(11) 0.147(4) Uani 1 1 d G U . . .
H102 H 0.086595 0.383784 0.422782 0.176 Uiso 1 1 calc R U . . .
C107 C 0.1280(6) 0.5517(17) 0.4282(14) 0.148(4) Uani 1 1 d D U . . .
H10A H 0.119297 0.585107 0.414452 0.222 Uiso 1 1 calc R U . . .
H10B H 0.133554 0.531093 0.407629 0.222 Uiso 1 1 calc R U . . .
H10C H 0.139824 0.566068 0.451627 0.222 Uiso 1 1 calc R U . . .
C114 C 0.0900(12) 0.6260(15) 0.594(2) 0.216(3) Uani 0.5 1 d DG U P A 1
C113 C 0.0707(12) 0.606(2) 0.565(2) 0.216(3) Uani 0.5 1 d DG U P A 1
H113 H 0.063519 0.628790 0.541494 0.259 Uiso 0.5 1 calc R U P A 1
C112 C 0.0623(9) 0.550(2) 0.5723(17) 0.216(3) Uani 0.5 1 d DG U P A 1
H112 H 0.049393 0.536640 0.553397 0.259 Uiso 0.5 1 calc R U P A 1
C111 C 0.0731(5) 0.5156(12) 0.6078(12) 0.216(3) Uani 0.5 1 d DG U P A 1
C116 C 0.0923(8) 0.536(2) 0.6361(19) 0.216(3) Uani 0.5 1 d DG U P A 1
H116 H 0.099528 0.512854 0.659850 0.259 Uiso 0.5 1 calc R U P A 1
C115 C 0.1008(10) 0.591(2) 0.629(2) 0.216(3) Uani 0.5 1 d DG U P A 1
H115 H 0.113655 0.605003 0.647948 0.259 Uiso 0.5 1 calc R U P A 1
C117 C 0.0999(16) 0.686(2) 0.584(3) 0.216(3) Uani 0.5 1 d D U P A 1
C121 C 0.1006(5) 0.5239(14) 0.6410(13) 0.216(3) Uani 0.5 1 d DG U P A 2
C126 C 0.1142(10) 0.533(2) 0.6825(14) 0.216(3) Uani 0.5 1 d DG U P A 2
H126 H 0.114152 0.506788 0.704602 0.259 Uiso 0.5 1 calc R U P A 2
C125 C 0.1280(11) 0.583(3) 0.6909(18) 0.216(3) Uani 0.5 1 d DG U P A 2
H125 H 0.137119 0.589294 0.718663 0.259 Uiso 0.5 1 calc R U P A 2
C124 C 0.1281(9) 0.623(2) 0.658(2) 0.216(3) Uani 0.5 1 d DG U P A 2
C123 C 0.1145(12) 0.613(2) 0.616(2) 0.216(3) Uani 0.5 1 d DG U P A 2
H123 H 0.114625 0.639827 0.594305 0.259 Uiso 0.5 1 calc R U P A 2
C122 C 0.1008(10) 0.564(2) 0.6080(15) 0.216(3) Uani 0.5 1 d DG U P A 2
H122 H 0.091657 0.557321 0.580243 0.259 Uiso 0.5 1 calc R U P A 2
C127 C 0.1437(13) 0.677(3) 0.667(3) 0.216(3) Uani 0.5 1 d D U P A 2
C136 C 0.1294(4) 0.3043(10) 0.8090(7) 0.144(4) Uani 1 1 d DG U . . .
H136 H 0.123857 0.265402 0.805234 0.172 Uiso 1 1 calc R U . . .
C131 C 0.1237(3) 0.3452(9) 0.7751(6) 0.143(3) Uani 1 1 d G U . . .
C132 C 0.1319(4) 0.4033(9) 0.7808(7) 0.143(4) Uani 1 1 d DG U . . .
H132 H 0.128155 0.430657 0.758051 0.172 Uiso 1 1 calc R U . . .
C133 C 0.1459(5) 0.4206(11) 0.8205(8) 0.144(4) Uani 1 1 d DG U . . .
H133 H 0.151386 0.459514 0.824269 0.172 Uiso 1 1 calc R U . . .
C134 C 0.1515(4) 0.3797(13) 0.8544(7) 0.144(4) Uani 1 1 d DG U . . .
C135 C 0.1433(5) 0.3216(12) 0.8487(7) 0.144(4) Uani 1 1 d DG U . . .
H135 H 0.147088 0.294260 0.871453 0.172 Uiso 1 1 calc R U . . .
C137 C 0.1679(6) 0.3979(18) 0.8979(9) 0.144(4) Uani 1 1 d D U . . .
H13A H 0.180850 0.413071 0.892749 0.216 Uiso 1 1 calc R U . . .
H13B H 0.171362 0.363444 0.916518 0.216 Uiso 1 1 calc R U . . .
H13C H 0.161675 0.428603 0.911474 0.216 Uiso 1 1 calc R U . . .
C141 C 0.1837(6) -0.017(2) 0.4921(10) 0.083(2) Uani 1 1 d . U . . .
C142 C 0.1736(6) -0.0591(19) 0.4633(10) 0.083(2) Uani 1 1 d . U . . .
H142 H 0.158609 -0.060994 0.454960 0.100 Uiso 1 1 calc R U . . .
C143 C 0.1847(6) -0.099(2) 0.4463(10) 0.083(2) Uani 1 1 d . U . . .
H143 H 0.177420 -0.128159 0.427038 0.100 Uiso 1 1 calc R U . . .
C144 C 0.2072(5) -0.0951(17) 0.4583(10) 0.083(2) Uani 1 1 d D U . . .
C145 C 0.2179(6) -0.0504(19) 0.4856(10) 0.083(2) Uani 1 1 d . U . . .
H145 H 0.232767 -0.045705 0.491131 0.100 Uiso 1 1 calc R U . . .
C146 C 0.2068(6) -0.014(2) 0.5040(10) 0.083(2) Uani 1 1 d . U . . .
H146 H 0.214104 0.013918 0.524691 0.100 Uiso 1 1 calc R U . . .
C147 C 0.2195(5) -0.1368(17) 0.4350(10) 0.084(3) Uani 1 1 d D U . . .
H14A H 0.210219 -0.169529 0.421687 0.126 Uiso 1 1 calc R U . . .
H14B H 0.232164 -0.152412 0.455651 0.126 Uiso 1 1 calc R U . . .
H14C H 0.223558 -0.114340 0.413310 0.126 Uiso 1 1 calc R U . . .
C151 C 0.1061(5) -0.0934(18) 0.5534(9) 0.0701(19) Uani 1 1 d . U . . .
C152 C 0.1064(5) -0.1177(17) 0.5134(9) 0.070(2) Uani 1 1 d . U . . .
H152 H 0.118464 -0.112405 0.503613 0.085 Uiso 1 1 calc R U . . .
C153 C 0.0889(5) -0.1493(17) 0.4888(10) 0.071(2) Uani 1 1 d . U . . .
H153 H 0.088555 -0.162891 0.461357 0.085 Uiso 1 1 calc R U . . .
C154 C 0.0720(5) -0.1604(16) 0.5051(9) 0.071(2) Uani 1 1 d D U . . .
C155 C 0.0732(6) -0.1405(17) 0.5449(9) 0.071(2) Uani 1 1 d . U . . .
H155 H 0.061750 -0.150540 0.555692 0.085 Uiso 1 1 calc R U . . .
C156 C 0.0882(5) -0.1096(17) 0.5691(10) 0.070(2) Uani 1 1 d . U . . .
H156 H 0.087734 -0.097496 0.596320 0.084 Uiso 1 1 calc R U . . .
C157 C 0.0530(5) -0.1981(16) 0.4771(9) 0.071(2) Uani 1 1 d D U . . .
H15A H 0.049373 -0.184383 0.447672 0.107 Uiso 1 1 calc R U . . .
H15B H 0.040714 -0.193670 0.487763 0.107 Uiso 1 1 calc R U . . .
H15C H 0.057162 -0.239682 0.478334 0.107 Uiso 1 1 calc R U . . .
C163 C 0.0683(4) 0.3004(14) 0.3362(8) 0.116(3) Uani 1 1 d G U . . .
H163 H 0.053498 0.302058 0.323158 0.139 Uiso 1 1 calc R U . . .
C164 C 0.0824(5) 0.3282(11) 0.3168(6) 0.116(3) Uani 1 1 d DG U . . .
C165 C 0.1046(4) 0.3257(13) 0.3363(8) 0.116(3) Uani 1 1 d G U . . .
H165 H 0.113959 0.344370 0.323259 0.139 Uiso 1 1 calc R U . . .
C166 C 0.1127(4) 0.2953(13) 0.3752(8) 0.116(3) Uani 1 1 d G U . . .
H166 H 0.127574 0.293598 0.388188 0.139 Uiso 1 1 calc R U . . .
C161 C 0.0987(5) 0.2674(7) 0.3946(5) 0.115(3) Uani 1 1 d G U . . .
C162 C 0.0765(4) 0.2699(12) 0.3751(8) 0.116(3) Uani 1 1 d G U . . .
H162 H 0.067113 0.251286 0.388088 0.139 Uiso 1 1 calc R U . . .
C167 C 0.0734(7) 0.3604(17) 0.2727(8) 0.117(3) Uani 1 1 d D U . . .
H16A H 0.068016 0.331017 0.250435 0.175 Uiso 1 1 calc R U . . .
H16B H 0.084683 0.383341 0.266460 0.175 Uiso 1 1 calc R U . . .
H16C H 0.061818 0.386849 0.273978 0.175 Uiso 1 1 calc R U . . .
C171 C 0.0411(6) 0.2132(19) 0.5094(11) 0.085(2) Uani 1 1 d . U . . .
C172 C 0.0367(6) 0.2652(19) 0.4811(11) 0.085(2) Uani 1 1 d . U . . .
H172 H 0.043614 0.272629 0.460172 0.102 Uiso 1 1 calc R U . . .
C173 C 0.0203(6) 0.305(2) 0.4889(11) 0.085(2) Uani 1 1 d . U . . .
H173 H 0.018137 0.342027 0.475654 0.102 Uiso 1 1 calc R U . . .
C174 C 0.0075(5) 0.2883(18) 0.5157(11) 0.085(2) Uani 1 1 d D U . . .
C175 C 0.0110(6) 0.2389(19) 0.5369(11) 0.085(2) Uani 1 1 d . U . . .
H175 H 0.001374 0.228881 0.552293 0.102 Uiso 1 1 calc R U . . .
C176 C 0.0281(6) 0.1981(19) 0.5393(11) 0.085(2) Uani 1 1 d . U . . .
H176 H 0.030946 0.165097 0.557679 0.102 Uiso 1 1 calc R U . . .
C177 C -0.0124(5) 0.3279(17) 0.5142(11) 0.086(3) Uani 1 1 d D U . . .
H17D H -0.007682 0.365956 0.527644 0.129 Uiso 1 1 calc R U . . .
H17E H -0.021217 0.308016 0.529461 0.129 Uiso 1 1 calc R U . . .
H17F H -0.020735 0.334155 0.484719 0.129 Uiso 1 1 calc R U . . .
C183 C 0.1148(4) -0.1729(9) 0.6692(6) 0.080(2) Uani 1 1 d G U . . .
H183 H 0.120596 -0.207149 0.660248 0.096 Uiso 1 1 calc R U . . .
C182 C 0.1275(3) -0.1219(12) 0.6816(6) 0.079(2) Uani 1 1 d G U . . .
H182 H 0.141829 -0.121978 0.680935 0.095 Uiso 1 1 calc R U . . .
C181 C 0.1189(3) -0.0707(9) 0.6949(6) 0.079(2) Uani 1 1 d G U . . .
C186 C 0.0975(4) -0.0706(9) 0.6959(6) 0.079(2) Uani 1 1 d G U . . .
H186 H 0.091746 -0.036337 0.704783 0.095 Uiso 1 1 calc R U . . .
C185 C 0.0848(3) -0.1216(12) 0.6835(6) 0.080(2) Uani 1 1 d G U . . .
H185 H 0.070513 -0.121507 0.684097 0.095 Uiso 1 1 calc R U . . .
C184 C 0.0934(3) -0.1728(10) 0.6701(6) 0.080(2) Uani 1 1 d DG U . . .
C187 C 0.0786(5) -0.2286(13) 0.6576(9) 0.081(3) Uani 1 1 d D U . . .
H18A H 0.072391 -0.229753 0.626835 0.121 Uiso 1 1 calc R U . . .
H18B H 0.067305 -0.226270 0.671321 0.121 Uiso 1 1 calc R U . . .
H18C H 0.086979 -0.264394 0.667006 0.121 Uiso 1 1 calc R U . . .
C191 C 0.0862(4) 0.1202(13) 0.7856(7) 0.098(3) Uani 1 1 d G U . . .
C192 C 0.0849(4) 0.0588(12) 0.7926(7) 0.098(3) Uani 1 1 d G U . . .
H192 H 0.092529 0.031859 0.780584 0.118 Uiso 1 1 calc R U . . .
C193 C 0.0722(4) 0.0377(10) 0.8177(8) 0.098(3) Uani 1 1 d G U . . .
H193 H 0.071389 -0.003394 0.822402 0.118 Uiso 1 1 calc R U . . .
C194 C 0.0609(4) 0.0780(13) 0.8357(7) 0.099(3) Uani 1 1 d DG U . . .
C195 C 0.0621(4) 0.1393(12) 0.8287(7) 0.099(3) Uani 1 1 d G U . . .
H195 H 0.054525 0.166291 0.840778 0.118 Uiso 1 1 calc R U . . .
C196 C 0.0748(4) 0.1605(10) 0.8037(8) 0.098(3) Uani 1 1 d G U . . .
H196 H 0.075665 0.201546 0.798960 0.118 Uiso 1 1 calc R U . . .
C197 C 0.0485(6) 0.060(2) 0.8683(10) 0.100(3) Uani 1 1 d D U . . .
H19A H 0.033182 0.061416 0.854134 0.149 Uiso 1 1 calc R U . . .
H19B H 0.051927 0.088062 0.892030 0.149 Uiso 1 1 calc R U . . .
H19C H 0.052550 0.020365 0.878866 0.149 Uiso 1 1 calc R U . . .
C202 C 0.0365(4) 0.3301(12) 0.6189(6) 0.087(2) Uani 1 1 d G U . . .
H202 H 0.038269 0.329387 0.591364 0.105 Uiso 1 1 calc R U . . .
C201 C 0.0467(4) 0.2873(10) 0.6493(8) 0.087(2) Uani 1 1 d G U . . .
C206 C 0.0439(4) 0.2883(11) 0.6904(7) 0.087(2) Uani 1 1 d G U . . .
H206 H 0.050772 0.259703 0.710775 0.105 Uiso 1 1 calc R U . . .
C205 C 0.0310(4) 0.3322(12) 0.7011(6) 0.087(2) Uani 1 1 d G U . . .
H205 H 0.029231 0.332907 0.728557 0.105 Uiso 1 1 calc R U . . .
C204 C 0.0208(4) 0.3750(11) 0.6706(8) 0.088(2) Uani 1 1 d DG U . . .
C203 C 0.0236(4) 0.3740(11) 0.6295(7) 0.088(2) Uani 1 1 d G U . . .
H203 H 0.016727 0.402593 0.609145 0.105 Uiso 1 1 calc R U . . .
C207 C 0.0056(5) 0.4175(16) 0.6861(12) 0.089(3) Uani 1 1 d D U . . .
H20A H 0.001766 0.399235 0.709735 0.133 Uiso 1 1 calc R U . . .
H20B H -0.007287 0.424609 0.662686 0.133 Uiso 1 1 calc R U . . .
H20C H 0.012782 0.455051 0.695296 0.133 Uiso 1 1 calc R U . . .
C211 C 0.2380(3) 0.1241(12) 0.6327(6) 0.085(2) Uani 1 1 d G U . . .
C216 C 0.2364(3) 0.0645(12) 0.6445(7) 0.085(2) Uani 1 1 d G U . . .
H216 H 0.224440 0.041621 0.629908 0.102 Uiso 1 1 calc R U . . .
C215 C 0.2526(4) 0.0392(9) 0.6781(7) 0.085(2) Uani 1 1 d G U . . .
H215 H 0.251497 -0.000616 0.685952 0.102 Uiso 1 1 calc R U . . .
C214 C 0.2704(3) 0.0735(12) 0.6998(6) 0.085(2) Uani 1 1 d DG U . . .
C213 C 0.2720(3) 0.1330(12) 0.6880(7) 0.085(2) Uani 1 1 d G U . . .
H213 H 0.283963 0.155926 0.702619 0.102 Uiso 1 1 calc R U . . .
C212 C 0.2558(4) 0.1583(9) 0.6545(7) 0.085(2) Uani 1 1 d G U . . .
H212 H 0.256906 0.198164 0.646575 0.102 Uiso 1 1 calc R U . . .
C217 C 0.2901(4) 0.0457(18) 0.7337(9) 0.086(3) Uani 1 1 d D U . . .
H21A H 0.291018 0.061610 0.761778 0.130 Uiso 1 1 calc R U . . .
H21B H 0.303086 0.055401 0.726362 0.130 Uiso 1 1 calc R U . . .
H21C H 0.288475 0.002776 0.734017 0.130 Uiso 1 1 calc R U . . .
C221 C 0.2307(3) 0.124(2) 0.7720(11) 0.098(3) Uani 1 1 d . U . . .
C222 C 0.2351(5) 0.062(2) 0.7684(11) 0.098(3) Uani 1 1 d . U . . .
H222 H 0.231347 0.042967 0.741538 0.117 Uiso 1 1 calc R U . . .
C223 C 0.2456(5) 0.028(2) 0.8077(11) 0.098(3) Uani 1 1 d . U . . .
H223 H 0.249518 -0.011899 0.806155 0.118 Uiso 1 1 calc R U . . .
C224 C 0.2492(5) 0.054(2) 0.8440(10) 0.098(3) Uani 1 1 d D U . . .
C225 C 0.2454(5) 0.118(2) 0.8474(11) 0.098(3) Uani 1 1 d . U . . .
H225 H 0.249182 0.138635 0.873781 0.117 Uiso 1 1 calc R U . . .
C226 C 0.2355(5) 0.148(2) 0.8080(11) 0.098(3) Uani 1 1 d . U . . .
H226 H 0.232394 0.188385 0.809294 0.117 Uiso 1 1 calc R U . . .
C227 C 0.2606(5) 0.0199(19) 0.8861(9) 0.099(3) Uani 1 1 d D U . . .
H22A H 0.251636 -0.013158 0.889581 0.148 Uiso 1 1 calc R U . . .
H22B H 0.262854 0.046597 0.910321 0.148 Uiso 1 1 calc R U . . .
H22C H 0.274216 0.004827 0.884456 0.148 Uiso 1 1 calc R U . . .
C231 C 0.1660(4) 0.4070(14) 0.5135(8) 0.102(3) Uani 1 1 d G U . . .
C236 C 0.1622(4) 0.4042(13) 0.4690(8) 0.102(3) Uani 1 1 d G U . . .
H236 H 0.149772 0.385574 0.451823 0.122 Uiso 1 1 calc R U . . .
C235 C 0.1770(4) 0.4292(14) 0.4500(6) 0.102(3) Uani 1 1 d G U . . .
H235 H 0.174406 0.427292 0.420239 0.122 Uiso 1 1 calc R U . . .
C234 C 0.1955(4) 0.4570(14) 0.4757(8) 0.102(3) Uani 1 1 d DG U . . .
C233 C 0.1993(4) 0.4599(13) 0.5202(8) 0.102(3) Uani 1 1 d G U . . .
H233 H 0.211773 0.478471 0.537323 0.122 Uiso 1 1 calc R U . . .
C232 C 0.1846(4) 0.4349(14) 0.5391(6) 0.102(3) Uani 1 1 d G U . . .
H232 H 0.187139 0.436754 0.568907 0.122 Uiso 1 1 calc R U . . .
C237 C 0.2131(5) 0.483(2) 0.4569(12) 0.102(3) Uani 1 1 d D U . . .
H23A H 0.224476 0.454449 0.459904 0.154 Uiso 1 1 calc R U . . .
H23B H 0.218933 0.519384 0.472342 0.154 Uiso 1 1 calc R U . . .
H23C H 0.206815 0.492686 0.426879 0.154 Uiso 1 1 calc R U . . .
C246 C 0.1774(4) 0.4808(13) 0.6606(7) 0.106(3) Uani 1 1 d G U . . .
H246 H 0.185560 0.462827 0.686110 0.127 Uiso 1 1 calc R U . . .
C241 C 0.1561(5) 0.4633(12) 0.6418(9) 0.106(3) Uani 1 1 d G U . . .
C242 C 0.1440(3) 0.4901(14) 0.6036(9) 0.106(3) Uani 1 1 d G U . . .
H242 H 0.129722 0.478403 0.591047 0.127 Uiso 1 1 calc R U . . .
C243 C 0.1532(4) 0.5345(13) 0.5842(7) 0.106(3) Uani 1 1 d G U . . .
H243 H 0.145031 0.552446 0.558713 0.127 Uiso 1 1 calc R U . . .
C244 C 0.1745(5) 0.5520(11) 0.6030(9) 0.106(3) Uani 1 1 d DG U . . .
C245 C 0.1866(3) 0.5252(14) 0.6412(9) 0.106(3) Uani 1 1 d G U . . .
H245 H 0.200869 0.536872 0.653775 0.127 Uiso 1 1 calc R U . . .
C247 C 0.1864(7) 0.5980(16) 0.5822(13) 0.107(3) Uani 1 1 d D U . . .
H24A H 0.195869 0.576961 0.569078 0.160 Uiso 1 1 calc R U . . .
H24B H 0.194728 0.624769 0.603990 0.160 Uiso 1 1 calc R U . . .
H24C H 0.176029 0.620641 0.560520 0.160 Uiso 1 1 calc R U . . .
C251 C 0.1952(5) 0.337(2) 0.8127(11) 0.100(3) Uani 1 1 d . U . . .
C252 C 0.1985(6) 0.393(2) 0.8133(12) 0.100(3) Uani 1 1 d . U . . .
H252 H 0.189953 0.415364 0.790236 0.120 Uiso 1 1 calc R U . . .
C253 C 0.2138(6) 0.425(2) 0.8456(12) 0.100(3) Uani 1 1 d . U . . .
H253 H 0.215003 0.466756 0.845478 0.120 Uiso 1 1 calc R U . . .
C254 C 0.2271(5) 0.388(2) 0.8781(11) 0.100(3) Uani 1 1 d D U . . .
C255 C 0.2258(7) 0.330(2) 0.8801(12) 0.100(3) Uani 1 1 d . U . . .
H255 H 0.235537 0.308681 0.902026 0.120 Uiso 1 1 calc R U . . .
C256 C 0.2091(6) 0.299(2) 0.8481(11) 0.100(3) Uani 1 1 d . U . . .
H256 H 0.207018 0.257981 0.849435 0.120 Uiso 1 1 calc R U . . .
C257 C 0.2455(5) 0.421(2) 0.9118(10) 0.100(3) Uani 1 1 d D U . . .
H25A H 0.244158 0.463867 0.906840 0.150 Uiso 1 1 calc R U . . .
H25B H 0.259217 0.407896 0.909244 0.150 Uiso 1 1 calc R U . . .
H25C H 0.244667 0.412541 0.940369 0.150 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
Au4 Au1 Au7 56.81(5) . . ?
Au4 Au1 Au11 52.31(5) . . ?
Au8 Au1 Au4 104.37(6) . . ?
Au8 Au1 Au7 87.54(5) . . ?
Au8 Au1 Au11 52.30(5) . . ?
Au11 Au1 Au7 57.33(5) . . ?
S14 Au1 Au4 87.7(3) . . ?
S14 Au1 Au7 141.3(3) . . ?
S14 Au1 Au8 87.1(2) . . ?
S14 Au1 Au11 89.9(2) . . ?
S21 Au1 Au4 93.8(3) . . ?
S21 Au1 Au7 47.5(2) . . ?
S21 Au1 Au8 107.1(2) . . ?
S21 Au1 Au11 102.9(2) . . ?
S21 Au1 S14 164.8(3) . . ?
Au3 Au2 Au9 54.77(4) . . ?
Au3 Au2 Au11 49.53(4) . . ?
Au8 Au2 Au3 100.98(6) . . ?
Au8 Au2 Au9 84.08(5) . . ?
Au8 Au2 Au11 51.58(5) . . ?
Au9 Au2 Au11 54.60(4) . . ?
S14 Au2 Au3 81.6(3) . . ?
S14 Au2 Au8 90.3(2) . . ?
S14 Au2 Au9 133.6(3) . . ?
S14 Au2 Au11 86.5(3) . . ?
S14 Au2 S15 178.2(4) . . ?
S15 Au2 Au3 96.9(3) . . ?
S15 Au2 Au8 89.1(2) . . ?
S15 Au2 Au9 44.6(3) . . ?
S15 Au2 Au11 91.8(2) . . ?
Au4 Au3 Au2 98.19(6) . . ?
Au4 Au3 Au6 97.55(7) . . ?
Au4 Au3 Au9 123.47(6) . . ?
Au4 Au3 Au10 122.36(7) . . ?
Au6 Au3 Au2 157.15(6) . . ?
Au9 Au3 Au2 64.80(5) . . ?
Au9 Au3 Au6 118.38(6) . . ?
Au10 Au3 Au2 117.58(6) . . ?
Au10 Au3 Au6 66.12(5) . . ?
Au10 Au3 Au9 53.66(5) . . ?
Au11 Au3 Au2 67.80(5) . . ?
Au11 Au3 Au4 59.71(5) . . ?
Au11 Au3 Au6 134.92(8) . . ?
Au11 Au3 Au9 64.09(5) . . ?
Au11 Au3 Au10 92.49(5) . . ?
Au13 Au3 Au2 131.79(6) . . ?
Au13 Au3 Au4 60.21(5) . . ?
Au13 Au3 Au6 70.79(6) . . ?
Au13 Au3 Au9 90.68(5) . . ?
Au13 Au3 Au10 62.25(5) . . ?
Au13 Au3 Au11 64.13(5) . . ?
S4 Au3 Au2 69.0(2) . . ?
S4 Au3 Au4 134.2(2) . . ?
S4 Au3 Au6 88.2(2) . . ?
S4 Au3 Au9 91.7(2) . . ?
S4 Au3 Au10 101.6(2) . . ?
S4 Au3 Au11 136.3(3) . . ?
S4 Au3 Au13 157.1(2) . . ?
Au1 Au4 Au5 160.91(6) . . ?
Au3 Au4 Au1 96.89(7) . . ?
Au3 Au4 Au5 94.83(7) . . ?
Au3 Au4 Au7 124.85(7) . . ?
Au3 Au4 Au12 124.59(6) . . ?
Au7 Au4 Au1 65.16(6) . . ?
Au7 Au4 Au5 119.00(8) . . ?
Au7 Au4 Au12 54.12(6) . . ?
Au11 Au4 Au1 67.48(6) . . ?
Au11 Au4 Au3 59.93(5) . . ?
Au11 Au4 Au5 131.60(7) . . ?
Au11 Au4 Au7 65.13(5) . . ?
Au11 Au4 Au12 94.15(6) . . ?
Au11 Au4 Au13 63.91(5) . . ?
Au12 Au4 Au1 118.36(7) . . ?
Au12 Au4 Au5 65.52(6) . . ?
Au13 Au4 Au1 131.38(7) . . ?
Au13 Au4 Au3 59.40(5) . . ?
Au13 Au4 Au5 67.69(6) . . ?
Au13 Au4 Au7 92.94(6) . . ?
Au13 Au4 Au12 65.25(6) . . ?
S1 Au4 Au1 88.5(3) . . ?
S1 Au4 Au3 134.3(2) . . ?
S1 Au4 Au5 72.6(3) . . ?
S1 Au4 Au7 98.6(2) . . ?
S1 Au4 Au11 154.8(3) . . ?
S1 Au4 Au12 90.6(3) . . ?
S1 Au4 Au13 139.2(3) . . ?
Au4 Au5 Au12 55.53(5) . . ?
Au4 Au5 Au13 51.07(5) . . ?
Au13 Au5 Au12 56.31(5) . . ?
Au14 Au5 Au4 102.23(7) . . ?
Au14 Au5 Au12 85.40(6) . . ?
Au14 Au5 Au13 51.28(5) . . ?
S16 Au5 Au4 82.4(4) . . ?
S16 Au5 Au12 136.9(3) . . ?
S16 Au5 Au13 91.6(3) . . ?
S16 Au5 Au14 96.1(3) . . ?
S23 Au5 Au4 99.3(3) . . ?
S23 Au5 Au12 45.9(3) . . ?
S23 Au5 Au13 93.0(3) . . ?
S23 Au5 Au14 88.1(3) . . ?
S23 Au5 S16 175.0(4) . . ?
Au3 Au6 Au10 56.47(5) . . ?
Au3 Au6 Au13 50.40(5) . . ?
Au10 Au6 Au13 53.17(4) . . ?
Au14 Au6 Au3 100.27(6) . . ?
Au14 Au6 Au10 79.27(5) . . ?
Au14 Au6 Au13 49.91(5) . . ?
S16 Au6 Au3 83.7(4) . . ?
S16 Au6 Au10 136.8(3) . . ?
S16 Au6 Au13 89.8(3) . . ?
S16 Au6 Au14 93.7(3) . . ?
S16 Au6 S17 168.5(4) . . ?
S17 Au6 Au3 93.7(3) . . ?
S17 Au6 Au10 46.1(2) . . ?
S17 Au6 Au13 97.2(2) . . ?
S17 Au6 Au14 97.8(3) . . ?
Au4 Au7 Au1 58.03(5) . . ?
Au4 Au7 Au11 53.91(5) . . ?
Au11 Au7 Au1 61.08(5) . . ?
Au12 Au7 Au1 120.40(7) . . ?
Au12 Au7 Au4 63.34(6) . . ?
Au12 Au7 Au11 92.81(6) . . ?
Au12 Au7 Au15 60.33(6) . . ?
Au12 Au7 Au16 127.48(7) . . ?
Au12 Au7 Au19 61.55(6) . . ?
Au15 Au7 Au1 179.14(8) . . ?
Au15 Au7 Au4 122.78(8) . . ?
Au15 Au7 Au11 119.55(6) . . ?
Au15 Au7 Au16 97.93(6) . . ?
Au15 Au7 Au19 59.29(5) . . ?
Au16 Au7 Au1 81.96(6) . . ?
Au16 Au7 Au4 108.21(7) . . ?
Au16 Au7 Au11 54.80(5) . . ?
Au19 Au7 Au1 121.35(7) . . ?
Au19 Au7 Au4 86.02(6) . . ?
Au19 Au7 Au11 60.30(5) . . ?
Au19 Au7 Au16 66.30(6) . . ?
S21 Au7 Au1 45.3(3) . . ?
S21 Au7 Au4 93.1(2) . . ?
S21 Au7 Au11 104.5(3) . . ?
S21 Au7 Au12 133.9(3) . . ?
S21 Au7 Au15 133.9(3) . . ?
S21 Au7 Au16 96.6(3) . . ?
S21 Au7 Au19 161.4(3) . . ?
Au1 Au8 Au29 140.10(7) . . ?
Au2 Au8 Au1 75.84(5) . . ?
Au2 Au8 Au29 126.23(8) . . ?
Au11 Au8 Au1 68.03(6) . . ?
Au11 Au8 Au2 73.63(6) . . ?
Au11 Au8 Au29 144.22(6) . . ?
Au16 Au8 Au1 90.48(7) . . ?
Au16 Au8 Au2 134.72(8) . . ?
Au16 Au8 Au11 61.28(6) . . ?
Au16 Au8 Au17 60.11(5) . . ?
Au16 Au8 Au29 91.70(6) . . ?
Au17 Au8 Au1 129.12(8) . . ?
Au17 Au8 Au2 95.70(6) . . ?
Au17 Au8 Au11 61.55(5) . . ?
Au17 Au8 Au29 85.26(6) . . ?
S7 Au8 Au1 101.6(2) . . ?
S7 Au8 Au2 96.2(2) . . ?
S7 Au8 Au11 166.8(2) . . ?
S7 Au8 Au16 129.0(2) . . ?
S7 Au8 Au17 129.3(2) . . ?
S7 Au8 Au29 48.9(2) . . ?
Au3 Au9 Au2 60.42(5) . . ?
Au3 Au9 Au11 53.73(4) . . ?
Au10 Au9 Au2 122.36(6) . . ?
Au10 Au9 Au3 62.91(5) . . ?
Au10 Au9 Au11 91.74(7) . . ?
Au10 Au9 Au17 126.03(8) . . ?
Au10 Au9 Au18 60.17(5) . . ?
Au10 Au9 Au20 61.23(6) . . ?
Au11 Au9 Au2 62.79(5) . . ?
Au17 Au9 Au2 82.95(5) . . ?
Au17 Au9 Au3 109.28(6) . . ?
Au17 Au9 Au11 55.91(5) . . ?
Au18 Au9 Au2 177.13(8) . . ?
Au18 Au9 Au3 122.32(7) . . ?
Au18 Au9 Au11 119.24(7) . . ?
Au18 Au9 Au17 96.56(5) . . ?
Au18 Au9 Au20 58.65(5) . . ?
Au20 Au9 Au2 123.38(6) . . ?
Au20 Au9 Au3 86.66(6) . . ?
Au20 Au9 Au11 60.60(5) . . ?
Au20 Au9 Au17 65.13(5) . . ?
S15 Au9 Au2 43.7(2) . . ?
S15 Au9 Au3 101.40(19) . . ?
S15 Au9 Au10 150.4(2) . . ?
S15 Au9 Au11 98.4(2) . . ?
S15 Au9 Au17 81.9(2) . . ?
S15 Au9 Au18 133.4(2) . . ?
S15 Au9 Au20 146.8(2) . . ?
Au3 Au10 Au6 57.41(5) . . ?
Au9 Au10 Au3 63.43(5) . . ?
Au9 Au10 Au6 119.40(6) . . ?
Au9 Au10 Au13 91.92(6) . . ?
Au9 Au10 Au18 60.39(5) . . ?
Au9 Au10 Au20 60.58(5) . . ?
Au9 Au10 Au22 125.98(7) . . ?
Au13 Au10 Au3 54.44(5) . . ?
Au13 Au10 Au6 64.39(5) . . ?
Au18 Au10 Au3 123.05(7) . . ?
Au18 Au10 Au6 176.89(8) . . ?
Au18 Au10 Au13 118.57(6) . . ?
Au18 Au10 Au20 58.51(5) . . ?
Au18 Au10 Au22 93.52(6) . . ?
Au20 Au10 Au3 86.62(5) . . ?
Au20 Au10 Au6 124.39(6) . . ?
Au20 Au10 Au13 60.13(5) . . ?
Au20 Au10 Au22 65.45(6) . . ?
Au22 Au10 Au3 112.26(7) . . ?
Au22 Au10 Au6 88.97(6) . . ?
Au22 Au10 Au13 58.15(5) . . ?
S17 Au10 Au3 93.5(2) . . ?
S17 Au10 Au6 45.0(2) . . ?
S17 Au10 Au9 133.6(3) . . ?
S17 Au10 Au13 106.9(3) . . ?
S17 Au10 Au18 132.6(2) . . ?
S17 Au10 Au20 163.5(3) . . ?
S17 Au10 Au22 99.5(3) . . ?
Au1 Au11 Au2 66.33(5) . . ?
Au3 Au11 Au1 92.77(5) . . ?
Au3 Au11 Au2 62.68(5) . . ?
Au3 Au11 Au7 121.13(7) . . ?
Au3 Au11 Au9 62.18(5) . . ?
Au3 Au11 Au13 57.67(5) . . ?
Au3 Au11 Au16 176.31(8) . . ?
Au3 Au11 Au17 120.48(7) . . ?
Au3 Au11 Au19 117.43(7) . . ?
Au3 Au11 Au20 88.37(5) . . ?
Au4 Au11 Au1 60.20(5) . . ?
Au4 Au11 Au2 95.43(5) . . ?
Au4 Au11 Au3 60.36(5) . . ?
Au4 Au11 Au7 60.96(5) . . ?
Au4 Au11 Au9 122.22(6) . . ?
Au4 Au11 Au13 58.26(5) . . ?
Au4 Au11 Au16 120.48(7) . . ?
Au4 Au11 Au17 178.64(7) . . ?
Au4 Au11 Au19 86.95(6) . . ?
Au4 Au11 Au20 117.32(7) . . ?
Au7 Au11 Au1 61.59(5) . . ?
Au7 Au11 Au2 127.86(5) . . ?
Au8 Au11 Au1 59.67(5) . . ?
Au8 Au11 Au2 54.79(5) . . ?
Au8 Au11 Au3 117.30(7) . . ?
Au8 Au11 Au4 119.56(6) . . ?
Au8 Au11 Au7 95.00(6) . . ?
Au8 Au11 Au9 91.52(7) . . ?
Au8 Au11 Au13 174.94(6) . . ?
Au8 Au11 Au16 59.03(6) . . ?
Au8 Au11 Au17 59.18(5) . . ?
Au8 Au11 Au19 125.26(6) . . ?
Au8 Au11 Au20 123.06(6) . . ?
Au9 Au11 Au1 128.89(7) . . ?
Au9 Au11 Au2 62.61(5) . . ?
Au9 Au11 Au7 169.51(6) . . ?
Au13 Au11 Au1 118.45(6) . . ?
Au13 Au11 Au2 120.24(6) . . ?
Au13 Au11 Au7 87.72(7) . . ?
Au13 Au11 Au9 86.41(6) . . ?
Au13 Au11 Au19 59.76(5) . . ?
Au13 Au11 Au20 59.11(5) . . ?
Au16 Au11 Au1 84.91(5) . . ?
Au16 Au11 Au2 113.70(7) . . ?
Au16 Au11 Au7 60.15(6) . . ?
Au16 Au11 Au9 117.26(6) . . ?
Au16 Au11 Au13 125.99(7) . . ?
Au16 Au11 Au17 58.60(5) . . ?
Au16 Au11 Au19 66.23(6) . . ?
Au16 Au11 Au20 94.13(5) . . ?
Au17 Au11 Au1 118.48(7) . . ?
Au17 Au11 Au2 84.20(6) . . ?
Au17 Au11 Au7 118.28(6) . . ?
Au17 Au11 Au9 58.75(5) . . ?
Au17 Au11 Au13 123.05(6) . . ?
Au17 Au11 Au19 93.46(5) . . ?
Au17 Au11 Au20 63.97(5) . . ?
Au19 Au11 Au1 116.39(6) . . ?
Au19 Au11 Au2 177.11(6) . . ?
Au19 Au11 Au7 54.82(5) . . ?
Au19 Au11 Au9 114.70(5) . . ?
Au19 Au11 Au20 59.73(5) . . ?
Au20 Au11 Au1 175.95(8) . . ?
Au20 Au11 Au2 117.57(6) . . ?
Au20 Au11 Au7 114.55(6) . . ?
Au20 Au11 Au9 54.97(5) . . ?
Au4 Au12 Au5 58.94(6) . . ?
Au4 Au12 Au13 53.75(5) . . ?
Au7 Au12 Au4 62.54(6) . . ?
Au7 Au12 Au5 120.81(7) . . ?
Au7 Au12 Au13 90.91(7) . . ?
Au7 Au12 Au15 60.12(6) . . ?
Au7 Au12 Au19 60.46(6) . . ?
Au7 Au12 Au21 124.21(8) . . ?
Au13 Au12 Au5 61.49(5) . . ?
Au15 Au12 Au4 121.79(9) . . ?
Au15 Au12 Au5 178.63(8) . . ?
Au15 Au12 Au13 117.81(7) . . ?
Au15 Au12 Au19 58.87(6) . . ?
Au15 Au12 Au21 95.32(6) . . ?
Au19 Au12 Au4 85.09(6) . . ?
Au19 Au12 Au5 120.46(7) . . ?
Au19 Au12 Au13 58.98(5) . . ?
Au19 Au12 Au21 64.00(6) . . ?
Au21 Au12 Au4 108.59(7) . . ?
Au21 Au12 Au5 83.32(6) . . ?
Au21 Au12 Au13 55.12(5) . . ?
S23 Au12 Au4 100.6(3) . . ?
S23 Au12 Au5 43.8(3) . . ?
S23 Au12 Au7 152.3(3) . . ?
S23 Au12 Au13 95.9(3) . . ?
S23 Au12 Au15 135.9(3) . . ?
S23 Au12 Au19 144.1(3) . . ?
S23 Au12 Au21 80.8(3) . . ?
Au3 Au13 Au4 60.39(5) . . ?
Au3 Au13 Au5 91.59(6) . . ?
Au3 Au13 Au6 58.81(5) . . ?
Au3 Au13 Au10 63.31(5) . . ?
Au3 Au13 Au11 58.20(5) . . ?
Au3 Au13 Au12 121.34(6) . . ?
Au3 Au13 Au19 119.06(7) . . ?
Au3 Au13 Au20 90.02(6) . . ?
Au3 Au13 Au21 176.61(8) . . ?
Au3 Au13 Au22 122.77(7) . . ?
Au4 Au13 Au5 61.24(6) . . ?
Au4 Au13 Au6 90.67(5) . . ?
Au4 Au13 Au10 123.60(7) . . ?
Au4 Au13 Au11 57.83(5) . . ?
Au4 Au13 Au12 61.00(5) . . ?
Au4 Au13 Au19 87.36(6) . . ?
Au4 Au13 Au20 119.11(7) . . ?
Au4 Au13 Au21 119.25(7) . . ?
Au4 Au13 Au22 175.49(9) . . ?
Au5 Au13 Au6 62.21(5) . . ?
Au10 Au13 Au5 124.45(6) . . ?
Au10 Au13 Au6 62.43(5) . . ?
Au10 Au13 Au12 172.78(6) . . ?
Au11 Au13 Au5 119.06(6) . . ?
Au11 Au13 Au6 117.00(7) . . ?
Au11 Au13 Au10 89.91(6) . . ?
Au11 Au13 Au12 88.55(6) . . ?
Au11 Au13 Au19 60.87(5) . . ?
Au12 Au13 Au5 62.20(5) . . ?
Au12 Au13 Au6 124.38(6) . . ?
Au14 Au13 Au3 116.18(7) . . ?
Au14 Au13 Au4 117.56(7) . . ?
Au14 Au13 Au5 56.47(5) . . ?
Au14 Au13 Au6 57.44(6) . . ?
Au14 Au13 Au10 89.69(6) . . ?
Au14 Au13 Au11 173.67(7) . . ?
Au14 Au13 Au12 92.61(7) . . ?
Au14 Au13 Au19 124.63(8) . . ?
Au14 Au13 Au20 123.29(6) . . ?
Au14 Au13 Au21 60.72(6) . . ?
Au14 Au13 Au22 58.54(6) . . ?
Au19 Au13 Au5 117.68(6) . . ?
Au19 Au13 Au6 177.69(7) . . ?
Au19 Au13 Au10 117.82(6) . . ?
Au19 Au13 Au12 55.49(5) . . ?
Au20 Au13 Au5 178.24(7) . . ?
Au20 Au13 Au6 119.31(6) . . ?
Au20 Au13 Au10 57.00(5) . . ?
Au20 Au13 Au11 61.33(5) . . ?
Au20 Au13 Au12 116.30(6) . . ?
Au20 Au13 Au19 60.83(5) . . ?
Au21 Au13 Au5 85.46(6) . . ?
Au21 Au13 Au6 118.14(7) . . ?
Au21 Au13 Au10 117.15(6) . . ?
Au21 Au13 Au11 124.82(7) . . ?
Au21 Au13 Au12 58.58(6) . . ?
Au21 Au13 Au19 63.96(6) . . ?
Au21 Au13 Au20 92.95(6) . . ?
Au21 Au13 Au22 57.37(6) . . ?
Au22 Au13 Au5 114.66(7) . . ?
Au22 Au13 Au6 88.74(6) . . ?
Au22 Au13 Au10 59.87(6) . . ?
Au22 Au13 Au11 126.26(6) . . ?
Au22 Au13 Au12 115.89(7) . . ?
Au22 Au13 Au19 93.32(6) . . ?
Au22 Au13 Au20 64.93(5) . . ?
Au5 Au14 Au6 71.97(6) . . ?
Au5 Au14 Au35 131.95(13) . . ?
Au5 Au14 Au37 127.51(16) . . ?
Au6 Au14 Au35 131.23(12) . . ?
Au13 Au14 Au5 72.25(6) . . ?
Au13 Au14 Au6 72.65(7) . . ?
Au13 Au14 Au21 61.35(6) . . ?
Au13 Au14 Au22 63.97(6) . . ?
Au13 Au14 Au35 146.76(12) . . ?
Au13 Au14 Au37 135.26(11) . . ?
Au21 Au14 Au5 94.21(7) . . ?
Au21 Au14 Au6 133.98(9) . . ?
Au21 Au14 Au35 91.01(11) . . ?
Au21 Au14 Au37 76.25(11) . . ?
Au22 Au14 Au5 135.66(9) . . ?
Au22 Au14 Au6 100.25(8) . . ?
Au22 Au14 Au21 59.25(6) . . ?
Au22 Au14 Au35 86.70(13) . . ?
Au22 Au14 Au37 83.12(13) . . ?
Au37 Au14 Au6 146.63(13) . . ?
S10 Au14 Au5 99.5(3) . . ?
S10 Au14 Au6 97.9(4) . . ?
S10 Au14 Au13 168.9(4) . . ?
S10 Au14 Au21 127.9(4) . . ?
S10 Au14 Au22 124.8(3) . . ?
S10 Au14 Au35 44.3(4) . . ?
S10 Au14 Au37 55.7(4) . . ?
Au7 Au15 Au12 59.55(6) . . ?
Au7 Au15 Au23 90.76(8) . . ?
Au7 Au15 Au26 131.81(8) . . ?
Au7 Au15 Au34 86.36(6) . . ?
Au12 Au15 Au23 130.79(8) . . ?
Au12 Au15 Au26 96.47(7) . . ?
Au12 Au15 Au34 88.97(7) . . ?
Au19 Au15 Au7 61.35(6) . . ?
Au19 Au15 Au12 62.00(6) . . ?
Au19 Au15 Au23 69.49(6) . . ?
Au19 Au15 Au26 70.52(6) . . ?
Au19 Au15 Au34 144.04(7) . . ?
Au23 Au15 Au26 74.06(7) . . ?
Au23 Au15 Au34 130.41(8) . . ?
Au26 Au15 Au34 138.01(9) . . ?
S3 Au15 Au7 129.8(3) . . ?
S3 Au15 Au12 129.6(3) . . ?
S3 Au15 Au19 165.8(2) . . ?
S3 Au15 Au23 99.6(3) . . ?
S3 Au15 Au26 98.1(2) . . ?
S3 Au15 Au34 50.1(2) . . ?
Au7 Au16 Au19 54.31(5) . . ?
Au7 Au16 Au23 80.42(6) . . ?
Au7 Au16 Au24 107.06(7) . . ?
Au8 Au16 Au7 98.54(6) . . ?
Au8 Au16 Au11 59.69(5) . . ?
Au8 Au16 Au17 60.23(5) . . ?
Au8 Au16 Au19 119.31(6) . . ?
Au8 Au16 Au23 178.92(8) . . ?
Au8 Au16 Au24 121.36(7) . . ?
Au11 Au16 Au7 65.05(6) . . ?
Au11 Au16 Au19 59.62(5) . . ?
Au11 Au16 Au23 119.91(8) . . ?
Au11 Au16 Au24 84.96(6) . . ?
Au17 Au16 Au7 125.55(7) . . ?
Au17 Au16 Au11 61.05(5) . . ?
Au17 Au16 Au19 90.94(6) . . ?
Au17 Au16 Au23 120.59(6) . . ?
Au17 Au16 Au24 61.89(5) . . ?
Au19 Au16 Au23 60.29(5) . . ?
Au24 Au16 Au19 53.11(5) . . ?
Au24 Au16 Au23 59.34(5) . . ?
S22 Au16 Au7 80.4(3) . . ?
S22 Au16 Au8 133.8(3) . . ?
S22 Au16 Au11 145.3(3) . . ?
S22 Au16 Au17 151.6(3) . . ?
S22 Au16 Au19 97.7(3) . . ?
S22 Au16 Au23 45.8(3) . . ?
S22 Au16 Au24 102.4(2) . . ?
Au8 Au17 Au9 95.62(5) . . ?
Au8 Au17 Au11 59.27(5) . . ?
Au8 Au17 Au20 119.86(7) . . ?
Au8 Au17 Au24 122.56(7) . . ?
Au8 Au17 Au25 178.95(7) . . ?
Au9 Au17 Au20 55.84(5) . . ?
Au9 Au17 Au24 109.75(7) . . ?
Au9 Au17 Au25 85.36(5) . . ?
Au11 Au17 Au9 65.34(5) . . ?
Au11 Au17 Au20 60.68(5) . . ?
Au11 Au17 Au24 85.55(6) . . ?
Au11 Au17 Au25 121.59(7) . . ?
Au16 Au17 Au8 59.66(5) . . ?
Au16 Au17 Au9 125.57(7) . . ?
Au16 Au17 Au11 60.35(5) . . ?
Au16 Au17 Au20 93.14(7) . . ?
Au16 Au17 Au24 63.70(6) . . ?
Au16 Au17 Au25 120.03(7) . . ?
Au20 Au17 Au25 61.03(5) . . ?
Au24 Au17 Au20 54.13(5) . . ?
Au24 Au17 Au25 57.33(5) . . ?
S18 Au17 Au8 134.9(3) . . ?
S18 Au17 Au9 96.8(2) . . ?
S18 Au17 Au11 160.2(2) . . ?
S18 Au17 Au16 135.9(2) . . ?
S18 Au17 Au20 102.8(3) . . ?
S18 Au17 Au24 93.2(3) . . ?
S18 Au17 Au25 44.5(3) . . ?
Au9 Au18 Au25 93.42(6) . . ?
Au9 Au18 Au28 133.04(7) . . ?
Au9 Au18 Au32 88.01(6) . . ?
Au10 Au18 Au9 59.44(5) . . ?
Au10 Au18 Au25 130.14(7) . . ?
Au10 Au18 Au28 97.04(7) . . ?
Au10 Au18 Au32 81.03(6) . . ?
Au20 Au18 Au9 61.45(5) . . ?
Au20 Au18 Au10 61.96(5) . . ?
Au20 Au18 Au25 68.39(5) . . ?
Au20 Au18 Au28 71.66(6) . . ?
Au20 Au18 Au32 140.13(6) . . ?
Au25 Au18 Au32 143.63(8) . . ?
Au28 Au18 Au25 70.64(5) . . ?
Au28 Au18 Au32 130.96(7) . . ?
S6 Au18 Au9 126.7(3) . . ?
S6 Au18 Au10 123.9(2) . . ?
S6 Au18 Au20 171.2(3) . . ?
S6 Au18 Au25 106.0(2) . . ?
S6 Au18 Au28 100.3(3) . . ?
S6 Au18 Au32 48.1(3) . . ?
Au7 Au19 Au11 64.88(5) . . ?
Au7 Au19 Au12 58.00(6) . . ?
Au7 Au19 Au13 93.45(5) . . ?
Au7 Au19 Au16 59.39(6) . . ?
Au7 Au19 Au20 125.14(7) . . ?
Au7 Au19 Au21 117.12(7) . . ?
Au7 Au19 Au23 83.35(6) . . ?
Au7 Au19 Au26 116.88(7) . . ?
Au11 Au19 Au16 54.14(5) . . ?
Au11 Au19 Au21 115.11(6) . . ?
Au11 Au19 Au23 115.15(7) . . ?
Au11 Au19 Au26 178.23(6) . . ?
Au12 Au19 Au11 93.53(6) . . ?
Au12 Au19 Au13 65.54(5) . . ?
Au12 Au19 Au16 117.10(6) . . ?
Au12 Au19 Au20 124.67(6) . . ?
Au12 Au19 Au21 59.33(6) . . ?
Au12 Au19 Au23 115.91(7) . . ?
Au12 Au19 Au26 87.66(7) . . ?
Au13 Au19 Au11 59.37(5) . . ?
Au13 Au19 Au16 113.52(7) . . ?
Au13 Au19 Au20 59.16(5) . . ?
Au13 Au19 Au21 55.74(5) . . ?
Au13 Au19 Au23 174.51(8) . . ?
Au13 Au19 Au26 120.11(7) . . ?
Au15 Au19 Au7 59.35(6) . . ?
Au15 Au19 Au11 124.19(6) . . ?
Au15 Au19 Au12 59.13(6) . . ?
Au15 Au19 Au13 124.62(7) . . ?
Au15 Au19 Au16 93.64(7) . . ?
Au15 Au19 Au20 174.88(6) . . ?
Au15 Au19 Au21 92.56(8) . . ?
Au15 Au19 Au23 57.30(6) . . ?
Au15 Au19 Au24 118.99(7) . . ?
Au15 Au19 Au26 57.57(5) . . ?
Au15 Au19 Au27 118.22(7) . . ?
Au16 Au19 Au23 61.01(5) . . ?
Au16 Au19 Au26 126.34(6) . . ?
Au20 Au19 Au11 60.26(5) . . ?
Au20 Au19 Au16 87.39(6) . . ?
Au20 Au19 Au21 87.22(6) . . ?
Au20 Au19 Au23 119.31(6) . . ?
Au20 Au19 Au26 117.97(6) . . ?
Au21 Au19 Au16 169.21(6) . . ?
Au21 Au19 Au23 129.72(7) . . ?
Au21 Au19 Au26 64.44(6) . . ?
Au23 Au19 Au26 65.38(6) . . ?
Au24 Au19 Au7 119.97(8) . . ?
Au24 Au19 Au11 86.45(6) . . ?
Au24 Au19 Au12 177.61(8) . . ?
Au24 Au19 Au13 116.38(7) . . ?
Au24 Au19 Au16 61.04(5) . . ?
Au24 Au19 Au20 57.31(5) . . ?
Au24 Au19 Au21 122.79(6) . . ?
Au24 Au19 Au23 62.04(5) . . ?
Au24 Au19 Au26 92.41(6) . . ?
Au24 Au19 Au27 60.54(6) . . ?
Au27 Au19 Au7 177.56(8) . . ?
Au27 Au19 Au11 117.53(7) . . ?
Au27 Au19 Au12 121.43(8) . . ?
Au27 Au19 Au13 88.29(6) . . ?
Au27 Au19 Au16 121.39(7) . . ?
Au27 Au19 Au20 57.27(5) . . ?
Au27 Au19 Au21 62.58(6) . . ?
Au27 Au19 Au23 95.05(5) . . ?
Au27 Au19 Au26 60.71(5) . . ?
Au9 Au20 Au10 58.18(5) . . ?
Au9 Au20 Au11 64.43(5) . . ?
Au9 Au20 Au13 92.19(5) . . ?
Au9 Au20 Au17 59.03(5) . . ?
Au9 Au20 Au19 124.44(6) . . ?
Au9 Au20 Au22 117.15(6) . . ?
Au9 Au20 Au25 88.13(6) . . ?
Au9 Au20 Au28 116.60(6) . . ?
Au10 Au20 Au11 92.29(5) . . ?
Au10 Au20 Au13 62.88(5) . . ?
Au10 Au20 Au17 116.94(7) . . ?
Au10 Au20 Au19 122.87(6) . . ?
Au10 Au20 Au22 59.01(6) . . ?
Au10 Au20 Au25 119.56(6) . . ?
Au10 Au20 Au28 87.41(5) . . ?
Au11 Au20 Au17 55.35(5) . . ?
Au11 Au20 Au22 116.53(6) . . ?
Au11 Au20 Au25 118.16(6) . . ?
Au11 Au20 Au28 178.44(8) . . ?
Au13 Au20 Au11 59.56(5) . . ?
Au13 Au20 Au17 114.89(6) . . ?
Au13 Au20 Au19 60.00(5) . . ?
Au13 Au20 Au22 56.97(5) . . ?
Au13 Au20 Au25 177.13(6) . . ?
Au13 Au20 Au28 118.99(7) . . ?
Au17 Au20 Au22 171.66(5) . . ?
Au17 Au20 Au25 62.92(5) . . ?
Au17 Au20 Au28 126.11(6) . . ?
Au18 Au20 Au9 59.90(5) . . ?
Au18 Au20 Au10 59.53(5) . . ?
Au18 Au20 Au11 124.32(7) . . ?
Au18 Au20 Au13 122.34(6) . . ?
Au18 Au20 Au17 93.49(7) . . ?
Au18 Au20 Au19 175.55(7) . . ?
Au18 Au20 Au22 90.24(6) . . ?
Au18 Au20 Au24 120.06(7) . . ?
Au18 Au20 Au25 60.19(5) . . ?
Au18 Au20 Au27 117.81(6) . . ?
Au18 Au20 Au28 56.75(5) . . ?
Au19 Au20 Au11 60.01(5) . . ?
Au19 Au20 Au17 88.53(6) . . ?
Au19 Au20 Au22 88.29(6) . . ?
Au19 Au20 Au25 117.57(6) . . ?
Au19 Au20 Au28 118.95(7) . . ?
Au22 Au20 Au25 125.28(6) . . ?
Au22 Au20 Au28 62.03(5) . . ?
Au24 Au20 Au9 119.92(7) . . ?
Au24 Au20 Au10 178.09(9) . . ?
Au24 Au20 Au11 86.51(5) . . ?
Au24 Au20 Au13 117.59(7) . . ?
Au24 Au20 Au17 61.15(5) . . ?
Au24 Au20 Au19 57.68(5) . . ?
Au24 Au20 Au22 122.87(7) . . ?
Au24 Au20 Au25 59.92(5) . . ?
Au24 Au20 Au27 60.90(6) . . ?
Au24 Au20 Au28 93.83(5) . . ?
Au25 Au20 Au28 63.26(5) . . ?
Au27 Au20 Au9 177.71(7) . . ?
Au27 Au20 Au10 121.00(8) . . ?
Au27 Au20 Au11 117.86(7) . . ?
Au27 Au20 Au13 89.14(7) . . ?
Au27 Au20 Au17 121.96(6) . . ?
Au27 Au20 Au19 57.85(5) . . ?
Au27 Au20 Au22 62.16(6) . . ?
Au27 Au20 Au25 90.63(5) . . ?
Au27 Au20 Au28 61.11(5) . . ?
Au12 Au21 Au19 56.66(5) . . ?
Au12 Au21 Au26 84.54(6) . . ?
Au12 Au21 Au27 110.62(8) . . ?
Au13 Au21 Au12 66.30(6) . . ?
Au13 Au21 Au19 60.30(6) . . ?
Au13 Au21 Au26 121.47(8) . . ?
Au13 Au21 Au27 86.09(7) . . ?
Au14 Au21 Au12 95.73(7) . . ?
Au14 Au21 Au13 57.94(6) . . ?
Au14 Au21 Au19 118.19(8) . . ?
Au14 Au21 Au26 179.09(9) . . ?
Au14 Au21 Au27 121.71(7) . . ?
Au19 Au21 Au26 61.25(6) . . ?
Au22 Au21 Au12 129.01(9) . . ?
Au22 Au21 Au13 62.81(6) . . ?
Au22 Au21 Au14 59.50(6) . . ?
Au22 Au21 Au19 94.26(8) . . ?
Au22 Au21 Au26 119.67(7) . . ?
Au22 Au21 Au27 63.59(6) . . ?
Au27 Au21 Au19 54.35(5) . . ?
Au27 Au21 Au26 57.39(5) . . ?
S24 Au21 Au12 96.7(3) . . ?
S24 Au21 Au13 160.1(3) . . ?
S24 Au21 Au14 137.9(3) . . ?
S24 Au21 Au19 102.2(3) . . ?
S24 Au21 Au22 132.3(3) . . ?
S24 Au21 Au26 42.9(3) . . ?
S24 Au21 Au27 90.7(3) . . ?
Au10 Au22 Au20 55.54(5) . . ?
Au10 Au22 Au27 108.57(7) . . ?
Au10 Au22 Au28 85.47(6) . . ?
Au13 Au22 Au10 61.99(6) . . ?
Au13 Au22 Au20 58.10(5) . . ?
Au13 Au22 Au27 84.42(6) . . ?
Au13 Au22 Au28 119.89(8) . . ?
Au14 Au22 Au10 90.38(6) . . ?
Au14 Au22 Au13 57.49(6) . . ?
Au14 Au22 Au20 115.44(7) . . ?
Au14 Au22 Au27 122.88(7) . . ?
Au14 Au22 Au28 175.83(9) . . ?
Au20 Au22 Au28 61.80(5) . . ?
Au21 Au22 Au10 121.71(7) . . ?
Au21 Au22 Au13 59.82(6) . . ?
Au21 Au22 Au14 61.25(6) . . ?
Au21 Au22 Au20 90.21(7) . . ?
Au21 Au22 Au27 63.05(6) . . ?
Au21 Au22 Au28 120.94(7) . . ?
Au27 Au22 Au20 53.17(5) . . ?
Au27 Au22 Au28 58.54(5) . . ?
S20 Au22 Au10 85.3(3) . . ?
S20 Au22 Au13 146.4(3) . . ?
S20 Au22 Au14 135.6(3) . . ?
S20 Au22 Au20 98.1(3) . . ?
S20 Au22 Au21 150.8(3) . . ?
S20 Au22 Au27 100.1(2) . . ?
S20 Au22 Au28 44.4(2) . . ?
Au15 Au23 Au16 89.51(6) . . ?
Au15 Au23 Au19 53.21(5) . . ?
Au15 Au23 Au24 104.92(6) . . ?
Au19 Au23 Au16 58.70(5) . . ?
Au24 Au23 Au16 57.05(5) . . ?
Au24 Au23 Au19 51.97(5) . . ?
S22 Au23 Au15 92.7(3) . . ?
S22 Au23 Au16 46.8(3) . . ?
S22 Au23 Au19 97.0(2) . . ?
S22 Au23 Au24 101.1(3) . . ?
S25 Au23 Au15 93.0(3) . . ?
S25 Au23 Au16 137.1(3) . . ?
S25 Au23 Au19 89.5(3) . . ?
S25 Au23 Au24 81.1(3) . . ?
S25 Au23 S22 173.1(4) . . ?
Au16 Au24 Au23 63.61(5) . . ?
Au17 Au24 Au16 54.41(5) . . ?
Au17 Au24 Au23 117.43(6) . . ?
Au17 Au24 Au25 66.70(5) . . ?
Au19 Au24 Au16 65.85(6) . . ?
Au19 Au24 Au17 94.39(5) . . ?
Au19 Au24 Au23 65.99(6) . . ?
Au19 Au24 Au25 133.03(6) . . ?
Au19 Au24 Au27 59.87(6) . . ?
Au20 Au24 Au16 94.00(5) . . ?
Au20 Au24 Au17 64.72(5) . . ?
Au20 Au24 Au19 65.01(5) . . ?
Au20 Au24 Au23 130.94(7) . . ?
Au20 Au24 Au25 68.06(5) . . ?
Au20 Au24 Au27 59.57(6) . . ?
Au25 Au24 Au16 120.13(7) . . ?
Au25 Au24 Au23 160.98(6) . . ?
Au27 Au24 Au16 125.51(7) . . ?
Au27 Au24 Au17 124.20(6) . . ?
Au27 Au24 Au23 97.07(8) . . ?
Au27 Au24 Au25 94.61(6) . . ?
S9 Au24 Au16 89.0(2) . . ?
S9 Au24 Au17 96.7(3) . . ?
S9 Au24 Au19 138.5(3) . . ?
S9 Au24 Au20 153.6(3) . . ?
S9 Au24 Au23 73.4(3) . . ?
S9 Au24 Au25 87.8(3) . . ?
S9 Au24 Au27 136.3(2) . . ?
Au18 Au25 Au17 83.84(5) . . ?
Au18 Au25 Au20 51.42(4) . . ?
Au20 Au25 Au17 56.05(4) . . ?
Au24 Au25 Au17 55.98(5) . . ?
Au24 Au25 Au18 103.40(6) . . ?
Au24 Au25 Au20 52.02(5) . . ?
S18 Au25 Au17 46.6(2) . . ?
S18 Au25 Au18 100.6(2) . . ?
S18 Au25 Au20 100.1(2) . . ?
S18 Au25 Au24 93.8(2) . . ?
S19 Au25 Au17 140.4(3) . . ?
S19 Au25 Au18 93.2(3) . . ?
S19 Au25 Au20 91.6(3) . . ?
S19 Au25 Au24 86.8(3) . . ?
S19 Au25 S18 165.7(3) . . ?
Au15 Au26 Au19 51.91(5) . . ?
Au15 Au26 Au21 82.64(6) . . ?
Au15 Au26 Au27 103.32(7) . . ?
Au19 Au26 Au21 54.31(5) . . ?
Au27 Au26 Au19 51.45(5) . . ?
Au27 Au26 Au21 55.61(5) . . ?
S24 Au26 Au15 100.4(3) . . ?
S24 Au26 Au19 97.0(3) . . ?
S24 Au26 Au21 44.5(3) . . ?
S24 Au26 Au27 90.5(3) . . ?
S24 Au26 S25 167.8(4) . . ?
S25 Au26 Au15 91.3(2) . . ?
S25 Au26 Au19 87.5(3) . . ?
S25 Au26 Au21 135.3(3) . . ?
S25 Au26 Au27 83.4(3) . . ?
Au19 Au27 Au21 63.07(6) . . ?
Au19 Au27 Au22 93.29(6) . . ?
Au19 Au27 Au24 59.59(5) . . ?
Au19 Au27 Au26 67.84(6) . . ?
Au19 Au27 Au28 132.98(7) . . ?
Au20 Au27 Au19 64.88(5) . . ?
Au20 Au27 Au21 91.40(6) . . ?
Au20 Au27 Au22 64.67(6) . . ?
Au20 Au27 Au24 59.53(6) . . ?
Au20 Au27 Au26 132.73(6) . . ?
Au20 Au27 Au28 68.12(6) . . ?
Au21 Au27 Au22 53.36(5) . . ?
Au21 Au27 Au26 67.00(6) . . ?
Au21 Au27 Au28 117.72(7) . . ?
Au22 Au27 Au26 119.08(7) . . ?
Au22 Au27 Au28 64.96(5) . . ?
Au24 Au27 Au21 122.33(6) . . ?
Au24 Au27 Au22 124.00(7) . . ?
Au24 Au27 Au26 96.11(7) . . ?
Au24 Au27 Au28 97.27(7) . . ?
Au26 Au27 Au28 159.13(7) . . ?
S13 Au27 Au19 148.4(2) . . ?
S13 Au27 Au20 143.5(2) . . ?
S13 Au27 Au21 96.0(4) . . ?
S13 Au27 Au22 91.7(3) . . ?
S13 Au27 Au24 137.8(4) . . ?
S13 Au27 Au26 82.51(18) . . ?
S13 Au27 Au28 76.82(18) . . ?
Au18 Au28 Au20 51.59(5) . . ?
Au18 Au28 Au22 83.37(5) . . ?
Au18 Au28 Au27 102.33(6) . . ?
Au20 Au28 Au22 56.18(5) . . ?
Au27 Au28 Au20 50.77(5) . . ?
Au27 Au28 Au22 56.49(5) . . ?
S19 Au28 Au18 96.3(3) . . ?
S19 Au28 Au20 90.2(2) . . ?
S19 Au28 Au22 136.9(3) . . ?
S19 Au28 Au27 82.0(3) . . ?
S19 Au28 S20 175.4(4) . . ?
S20 Au28 Au18 87.8(3) . . ?
S20 Au28 Au20 94.0(3) . . ?
S20 Au28 Au22 45.5(3) . . ?
S20 Au28 Au27 99.2(3) . . ?
S7 Au29 Au8 51.7(3) . . ?
S8 Au29 Au8 131.2(3) . . ?
S8 Au29 S7 177.0(4) . . ?
S9 Au30 S8 171.2(4) . . ?
S4 Au31 S5 172.3(4) . . ?
S5 Au32 Au18 133.7(3) . . ?
S5 Au32 S6 173.6(4) . . ?
S6 Au32 Au18 49.8(3) . . ?
S1 Au33 S2 171.0(4) . . ?
S2 Au34 Au15 132.0(3) . . ?
S2 Au34 S3 174.0(4) . . ?
S3 Au34 Au15 53.6(3) . . ?
S10 Au35 Au14 51.5(4) . . ?
S10 Au35 S11 179.0(12) . . ?
S11 Au35 Au14 129.5(10) . . ?
S11 Au36 S13 169.1(11) . . ?
S10 Au37 Au14 50.5(4) . . ?
S12 Au37 Au14 137.3(10) . . ?
S12 Au37 S10 171.5(11) . . ?
S13 Au38 S12 176.9(9) . . ?
Au33 S1 Au4 103.0(3) . . ?
C11 S1 Au4 107.9(13) . . ?
C11 S1 Au33 110.5(12) . . ?
Au33 S2 Au34 102.1(4) . . ?
C21 S2 Au33 108.2(15) . . ?
C21 S2 Au34 101.3(12) . . ?
Au34 S3 Au15 76.3(3) . . ?
C31 S3 Au15 105.2(15) . . ?
C31 S3 Au34 106.1(13) . . ?
Au31 S4 Au3 102.3(3) . . ?
C41 S4 Au3 107.6(9) . . ?
C41 S4 Au31 110.5(8) . . ?
Au31 S5 Au32 102.4(4) . . ?
C51 S5 Au31 103.7(13) . . ?
C51 S5 Au32 107.4(13) . . ?
Au32 S6 Au18 82.1(3) . . ?
C61 S6 Au18 108.5(10) . . ?
C61 S6 Au32 106.7(9) . . ?
Au29 S7 Au8 79.4(3) . . ?
C71 S7 Au8 106.6(10) . . ?
C71 S7 Au29 105.9(8) . . ?
Au29 S8 Au30 101.1(4) . . ?
C81 S8 Au29 103.1(10) . . ?
C81 S8 Au30 108.9(12) . . ?
Au30 S9 Au24 105.2(3) . . ?
C91 S9 Au24 102.8(13) . . ?
C91 S9 Au30 112.2(17) . . ?
Au14 S10 Au37 73.8(5) . . ?
Au35 S10 Au14 84.2(6) . . ?
C101 S10 Au14 105.7(5) . . ?
C101 S10 Au35 106.3(15) . . ?
C101 S10 Au37 95.8(15) . . ?
Au36 S11 Au35 99.8(15) . . ?
C111 S11 Au35 89.3(11) . . ?
C111 S11 Au36 116.1(13) . . ?
Au37 S12 Au38 103.9(15) . . ?
C121 S12 Au37 117.1(14) . . ?
C121 S12 Au38 111.8(15) . . ?
Au27 S13 Au36 104.0(5) . . ?
Au38 S13 Au27 105.5(5) . . ?
C131 S13 Au27 107.5(6) . . ?
C131 S13 Au36 131.3(7) . . ?
C131 S13 Au38 119.5(7) . . ?
Au2 S14 Au1 102.1(3) . . ?
C141 S14 Au1 106.0(12) . . ?
C141 S14 Au2 108.3(13) . . ?
Au2 S15 Au9 91.7(4) . . ?
C151 S15 Au2 110.1(10) . . ?
C151 S15 Au9 108.5(13) . . ?
Au5 S16 Au6 96.0(4) . . ?
C161 S16 Au5 108.3(7) . . ?
C161 S16 Au6 109.5(11) . . ?
Au6 S17 Au10 88.9(3) . . ?
C171 S17 Au6 111.0(14) . . ?
C171 S17 Au10 112.2(13) . . ?
Au25 S18 Au17 88.9(4) . . ?
C181 S18 Au17 116.4(7) . . ?
C181 S18 Au25 109.3(9) . . ?
Au28 S19 Au25 96.6(4) . . ?
C191 S19 Au25 108.9(11) . . ?
C191 S19 Au28 105.5(10) . . ?
Au28 S20 Au22 90.2(4) . . ?
C201 S20 Au22 114.4(10) . . ?
C201 S20 Au28 106.3(9) . . ?
Au1 S21 Au7 87.2(3) . . ?
C211 S21 Au1 109.9(10) . . ?
C211 S21 Au7 116.0(8) . . ?
Au23 S22 Au16 87.4(3) . . ?
C221 S22 Au16 111.7(11) . . ?
C221 S22 Au23 100.8(12) . . ?
Au5 S23 Au12 90.3(5) . . ?
C231 S23 Au5 106.0(11) . . ?
C231 S23 Au12 108.7(11) . . ?
Au26 S24 Au21 92.6(5) . . ?
C241 S24 Au21 114.9(10) . . ?
C241 S24 Au26 110.0(11) . . ?
Au23 S25 Au26 98.3(3) . . ?
C251 S25 Au23 104.6(9) . . ?
C251 S25 Au26 107.2(18) . . ?
C12 C11 S1 122(3) . . ?
C16 C11 S1 117(3) . . ?
C16 C11 C12 121(4) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 119(3) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 H13 118.8 . . ?
C14 C13 C12 122(4) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 C15 121(3) . . ?
C13 C14 C17 122(3) . . ?
C15 C14 C17 116(3) . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119(3) . . ?
C16 C15 H15 120.4 . . ?
C11 C16 C15 117(4) . . ?
C11 C16 H16 121.5 . . ?
C15 C16 H16 121.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C21 S2 123(3) . . ?
C26 C21 S2 123(3) . . ?
C26 C21 C22 113(4) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 121(4) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 118.9 . . ?
C24 C23 C22 122(4) . . ?
C24 C23 H23 118.9 . . ?
C23 C24 C25 117(3) . . ?
C23 C24 C27 121(4) . . ?
C25 C24 C27 122(3) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121(4) . . ?
C26 C25 H25 119.4 . . ?
C21 C26 H26 117.1 . . ?
C25 C26 C21 126(4) . . ?
C25 C26 H26 117.1 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C31 S3 124(3) . . ?
C36 C31 S3 117(4) . . ?
C36 C31 C32 119(4) . . ?
C31 C32 H32 118.4 . . ?
C31 C32 C33 123(4) . . ?
C33 C32 H32 118.4 . . ?
C32 C33 H33 122.1 . . ?
C34 C33 C32 116(4) . . ?
C34 C33 H33 122.1 . . ?
C33 C34 C35 122(4) . . ?
C33 C34 C37 120(4) . . ?
C37 C34 C35 118(3) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121(4) . . ?
C36 C35 H35 119.5 . . ?
C31 C36 C35 118(4) . . ?
C31 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 C47 113.1(17) . . ?
C43 C44 C47 126.7(17) . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C41 C46 C45 120.0 . . ?
C41 C46 H46 120.0 . . ?
C46 C41 S4 116.8(11) . . ?
C46 C41 C42 120.0 . . ?
C42 C41 S4 123.2(11) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C52 C51 S5 120(3) . . ?
C56 C51 S5 125(3) . . ?
C56 C51 C52 115(4) . . ?
C51 C52 H52 119.0 . . ?
C53 C52 C51 122(4) . . ?
C53 C52 H52 119.0 . . ?
C52 C53 H53 119.1 . . ?
C52 C53 C54 122(3) . . ?
C54 C53 H53 119.1 . . ?
C55 C54 C53 113(3) . . ?
C57 C54 C53 122(3) . . ?
C57 C54 C55 126(3) . . ?
C54 C55 H55 115.9 . . ?
C56 C55 C54 128(4) . . ?
C56 C55 H55 115.9 . . ?
C51 C56 H56 119.9 . . ?
C55 C56 C51 120(4) . . ?
C55 C56 H56 119.9 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C66 C61 S6 115.4(15) . . ?
C66 C61 C62 120.0 . . ?
C62 C61 S6 124.5(15) . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 C67 113(2) . . ?
C63 C64 C67 127(2) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H62 120.0 . . ?
C64 C67 H67A 109.5 . . ?
C64 C67 H67B 109.5 . . ?
C64 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C74 C73 H73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C75 120.0 . . ?
C73 C74 C77 116.7(18) . . ?
C75 C74 C77 123.1(18) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 120.0 . . ?
C71 C76 C75 120.0 . . ?
C71 C76 H76 120.0 . . ?
C76 C71 S7 123.1(13) . . ?
C76 C71 C72 120.0 . . ?
C72 C71 S7 116.8(13) . . ?
C73 C72 H72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H72 120.0 . . ?
C74 C77 H77A 109.5 . . ?
C74 C77 H77B 109.5 . . ?
C74 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C82 C81 S8 118(3) . . ?
C86 C81 S8 121(4) . . ?
C86 C81 C82 121(5) . . ?
C81 C82 H82 120.5 . . ?
C83 C82 C81 119(4) . . ?
C83 C82 H82 120.5 . . ?
C82 C83 H83 118.8 . . ?
C82 C83 C84 122(5) . . ?
C84 C83 H83 118.8 . . ?
C83 C84 C85 118(4) . . ?
C83 C84 C87 122(4) . . ?
C85 C84 C87 120(3) . . ?
C84 C85 H85 120.1 . . ?
C86 C85 C84 120(4) . . ?
C86 C85 H85 120.1 . . ?
C81 C86 C85 120(5) . . ?
C81 C86 H86 120.2 . . ?
C85 C86 H86 120.2 . . ?
C84 C87 H87A 109.5 . . ?
C84 C87 H87B 109.5 . . ?
C84 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C92 C91 S9 119(3) . . ?
C96 C91 S9 119(4) . . ?
C96 C91 C92 120(3) . . ?
C91 C92 H92 121.1 . . ?
C91 C92 C93 118(4) . . ?
C93 C92 H92 121.1 . . ?
C92 C93 H93 119.0 . . ?
C94 C93 C92 122(4) . . ?
C94 C93 H93 119.0 . . ?
C93 C94 C95 119(3) . . ?
C93 C94 C97 119(4) . . ?
C95 C94 C97 121(4) . . ?
C94 C95 H95 122.0 . . ?
C94 C95 C96 116(4) . . ?
C96 C95 H95 122.0 . . ?
C91 C96 C95 124(4) . . ?
C91 C96 H96 117.8 . . ?
C95 C96 H96 117.8 . . ?
C94 C97 H97A 109.5 . . ?
C94 C97 H97B 109.5 . . ?
C94 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C106 C101 S10 126(2) . . ?
C106 C101 C102 120.0 . . ?
C102 C101 S10 114(2) . . ?
C101 C106 H106 120.0 . . ?
C101 C106 C105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C106 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C105 C104 C107 119.9(8) . . ?
C103 C104 C105 120.0 . . ?
C103 C104 C107 120.1(8) . . ?
C104 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C101 C102 H102 120.0 . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H102 120.0 . . ?
C104 C107 H10A 109.5 . . ?
C104 C107 H10B 109.5 . . ?
C104 C107 H10C 109.5 . . ?
H10A C107 H10B 109.5 . . ?
H10A C107 H10C 109.5 . . ?
H10B C107 H10C 109.5 . . ?
C113 C114 C115 120.0 . . ?
C113 C114 C117 119.9(8) . . ?
C115 C114 C117 120.1(8) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 C114 120.0 . . ?
C112 C113 H113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C111 S11 120.1(8) . . ?
C112 C111 C116 120.0 . . ?
C116 C111 S11 119.9(8) . . ?
C111 C116 H116 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C114 C115 H115 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C126 C121 S12 120.0(8) . . ?
C126 C121 C122 120.0 . . ?
C122 C121 S12 120.0(8) . . ?
C121 C126 H126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C126 C125 C124 120.0 . . ?
C124 C125 H125 120.0 . . ?
C123 C124 C125 120.0 . . ?
C127 C124 C125 120.0(8) . . ?
C127 C124 C123 120.0(8) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 C124 120.00(6) . . ?
C122 C123 H123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C131 C136 H136 120.0 . . ?
C131 C136 C135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C136 C131 S13 120.0(7) . . ?
C136 C131 C132 120.0 . . ?
C132 C131 S13 120.0(7) . . ?
C131 C132 H132 120.0 . . ?
C131 C132 C133 120.0 . . ?
C133 C132 H132 120.0 . . ?
C132 C133 H133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 H133 120.0 . . ?
C133 C134 C135 120.0 . . ?
C133 C134 C137 120.1(8) . . ?
C135 C134 C137 119.9(8) . . ?
C136 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C137 H13A 109.5 . . ?
C134 C137 H13B 109.5 . . ?
C134 C137 H13C 109.5 . . ?
H13A C137 H13B 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
C142 C141 S14 117(3) . . ?
C142 C141 C146 118(4) . . ?
C146 C141 S14 124(3) . . ?
C141 C142 H142 119.0 . . ?
C143 C142 C141 122(4) . . ?
C143 C142 H142 119.0 . . ?
C142 C143 H143 120.6 . . ?
C142 C143 C144 119(3) . . ?
C144 C143 H143 120.6 . . ?
C143 C144 C147 118(3) . . ?
C145 C144 C143 121(3) . . ?
C145 C144 C147 121(3) . . ?
C144 C145 H145 120.3 . . ?
C146 C145 C144 119(3) . . ?
C146 C145 H145 120.3 . . ?
C141 C146 H146 119.8 . . ?
C145 C146 C141 120(4) . . ?
C145 C146 H146 119.8 . . ?
C144 C147 H14A 109.5 . . ?
C144 C147 H14B 109.5 . . ?
C144 C147 H14C 109.5 . . ?
H14A C147 H14B 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
C152 C151 S15 124(2) . . ?
C152 C151 C156 117(3) . . ?
C156 C151 S15 119(2) . . ?
C151 C152 H152 119.9 . . ?
C153 C152 C151 120(3) . . ?
C153 C152 H152 119.9 . . ?
C152 C153 H153 120.5 . . ?
C152 C153 C154 119(3) . . ?
C154 C153 H153 120.5 . . ?
C153 C154 C157 117(3) . . ?
C155 C154 C153 119(3) . . ?
C155 C154 C157 124(3) . . ?
C154 C155 H155 116.9 . . ?
C156 C155 C154 126(3) . . ?
C156 C155 H155 116.9 . . ?
C151 C156 H156 120.9 . . ?
C155 C156 C151 118(3) . . ?
C155 C156 H156 120.9 . . ?
C154 C157 H15A 109.5 . . ?
C154 C157 H15B 109.5 . . ?
C154 C157 H15C 109.5 . . ?
H15A C157 H15B 109.5 . . ?
H15A C157 H15C 109.5 . . ?
H15B C157 H15C 109.5 . . ?
C164 C163 H163 120.0 . . ?
C164 C163 C162 120.0 . . ?
C162 C163 H163 120.0 . . ?
C163 C164 C167 120(2) . . ?
C165 C164 C163 120.0 . . ?
C165 C164 C167 120(2) . . ?
C164 C165 H165 120.0 . . ?
C164 C165 C166 120.0 . . ?
C166 C165 H165 120.0 . . ?
C165 C166 H166 120.0 . . ?
C161 C166 C165 120.0 . . ?
C161 C166 H166 120.0 . . ?
C166 C161 S16 114.0(17) . . ?
C162 C161 S16 126.0(17) . . ?
C162 C161 C166 120.0 . . ?
C163 C162 H162 120.0 . . ?
C161 C162 C163 120.0 . . ?
C161 C162 H162 120.0 . . ?
C164 C167 H16A 109.5 . . ?
C164 C167 H16B 109.5 . . ?
C164 C167 H16C 109.5 . . ?
H16A C167 H16B 109.5 . . ?
H16A C167 H16C 109.5 . . ?
H16B C167 H16C 109.5 . . ?
C172 C171 S17 119(3) . . ?
C172 C171 C176 123(4) . . ?
C176 C171 S17 117(3) . . ?
C171 C172 H172 123.5 . . ?
C171 C172 C173 113(3) . . ?
C173 C172 H172 123.5 . . ?
C172 C173 H173 118.6 . . ?
C174 C173 C172 123(4) . . ?
C174 C173 H173 118.6 . . ?
C173 C174 C177 118(3) . . ?
C175 C174 C173 120(3) . . ?
C175 C174 C177 121(3) . . ?
C174 C175 H175 116.8 . . ?
C174 C175 C176 126(4) . . ?
C176 C175 H175 116.8 . . ?
C171 C176 H176 123.2 . . ?
C175 C176 C171 114(3) . . ?
C175 C176 H176 123.2 . . ?
C174 C177 H17D 109.5 . . ?
C174 C177 H17E 109.5 . . ?
C174 C177 H17F 109.5 . . ?
H17D C177 H17E 109.5 . . ?
H17D C177 H17F 109.5 . . ?
H17E C177 H17F 109.5 . . ?
C182 C183 H183 120.0 . . ?
C182 C183 C184 120.0 . . ?
C184 C183 H183 120.0 . . ?
C183 C182 H182 120.0 . . ?
C181 C182 C183 120.0 . . ?
C181 C182 H182 120.0 . . ?
C182 C181 S18 116.4(15) . . ?
C186 C181 S18 122.7(14) . . ?
C186 C181 C182 120.0 . . ?
C181 C186 H186 120.0 . . ?
C181 C186 C185 120.0 . . ?
C185 C186 H186 120.0 . . ?
C186 C185 H185 120.0 . . ?
C184 C185 C186 120.0 . . ?
C184 C185 H185 120.0 . . ?
C183 C184 C187 122(2) . . ?
C185 C184 C183 120.0 . . ?
C185 C184 C187 118(2) . . ?
C184 C187 H18A 109.5 . . ?
C184 C187 H18B 109.5 . . ?
C184 C187 H18C 109.5 . . ?
H18A C187 H18B 109.5 . . ?
H18A C187 H18C 109.5 . . ?
H18B C187 H18C 109.5 . . ?
C192 C191 S19 120.9(16) . . ?
C192 C191 C196 120.0 . . ?
C196 C191 S19 118.8(16) . . ?
C191 C192 H192 120.0 . . ?
C191 C192 C193 120.0 . . ?
C193 C192 H192 120.0 . . ?
C192 C193 H193 120.0 . . ?
C194 C193 C192 120.0 . . ?
C194 C193 H193 120.0 . . ?
C193 C194 C195 120.0 . . ?
C193 C194 C197 124(2) . . ?
C195 C194 C197 115(2) . . ?
C194 C195 H195 120.0 . . ?
C196 C195 C194 120.0 . . ?
C196 C195 H195 120.0 . . ?
C191 C196 H196 120.0 . . ?
C195 C196 C191 120.0 . . ?
C195 C196 H196 120.0 . . ?
C194 C197 H19A 109.5 . . ?
C194 C197 H19B 109.5 . . ?
C194 C197 H19C 109.5 . . ?
H19A C197 H19B 109.5 . . ?
H19A C197 H19C 109.5 . . ?
H19B C197 H19C 109.5 . . ?
C201 C202 H202 120.0 . . ?
C201 C202 C203 120.0 . . ?
C203 C202 H202 120.0 . . ?
C202 C201 S20 117.9(15) . . ?
C206 C201 S20 121.7(15) . . ?
C206 C201 C202 120.0 . . ?
C201 C206 H206 120.0 . . ?
C205 C206 C201 120.0 . . ?
C205 C206 H206 120.0 . . ?
C206 C205 H205 120.0 . . ?
C206 C205 C204 120.0 . . ?
C204 C205 H205 120.0 . . ?
C205 C204 C207 114(2) . . ?
C203 C204 C205 120.0 . . ?
C203 C204 C207 126(2) . . ?
C202 C203 H203 120.0 . . ?
C204 C203 C202 120.0 . . ?
C204 C203 H203 120.0 . . ?
C204 C207 H20A 109.5 . . ?
C204 C207 H20B 109.5 . . ?
C204 C207 H20C 109.5 . . ?
H20A C207 H20B 109.5 . . ?
H20A C207 H20C 109.5 . . ?
H20B C207 H20C 109.5 . . ?
C216 C211 S21 124.6(16) . . ?
C216 C211 C212 120.0 . . ?
C212 C211 S21 115.2(16) . . ?
C211 C216 H216 120.0 . . ?
C211 C216 C215 120.0 . . ?
C215 C216 H216 120.0 . . ?
C216 C215 H215 120.0 . . ?
C214 C215 C216 120.0 . . ?
C214 C215 H215 120.0 . . ?
C215 C214 C213 120.0 . . ?
C215 C214 C217 122(2) . . ?
C213 C214 C217 118(2) . . ?
C214 C213 H213 120.0 . . ?
C212 C213 C214 120.0 . . ?
C212 C213 H213 120.0 . . ?
C211 C212 H212 120.0 . . ?
C213 C212 C211 120.0 . . ?
C213 C212 H212 120.0 . . ?
C214 C217 H21A 109.5 . . ?
C214 C217 H21B 109.5 . . ?
C214 C217 H21C 109.5 . . ?
H21A C217 H21B 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C222 C221 S22 117(3) . . ?
C226 C221 S22 124(4) . . ?
C226 C221 C222 119(5) . . ?
C221 C222 H222 120.6 . . ?
C221 C222 C223 119(4) . . ?
C223 C222 H222 120.6 . . ?
C222 C223 H223 120.6 . . ?
C224 C223 C222 119(5) . . ?
C224 C223 H223 120.6 . . ?
C223 C224 C225 122(4) . . ?
C223 C224 C227 120(4) . . ?
C225 C224 C227 118(3) . . ?
C224 C225 H225 122.4 . . ?
C226 C225 C224 115(3) . . ?
C226 C225 H225 122.4 . . ?
C221 C226 C225 126(5) . . ?
C221 C226 H226 117.0 . . ?
C225 C226 H226 117.0 . . ?
C224 C227 H22A 109.5 . . ?
C224 C227 H22B 109.5 . . ?
C224 C227 H22C 109.5 . . ?
H22A C227 H22B 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C236 C231 S23 120.2(16) . . ?
C236 C231 C232 120.0 . . ?
C232 C231 S23 119.8(16) . . ?
C231 C236 H236 120.0 . . ?
C235 C236 C231 120.0 . . ?
C235 C236 H236 120.0 . . ?
C236 C235 H235 120.0 . . ?
C234 C235 C236 120.0 . . ?
C234 C235 H235 120.0 . . ?
C235 C234 C233 120.0 . . ?
C235 C234 C237 123(2) . . ?
C233 C234 C237 117(2) . . ?
C234 C233 H233 120.0 . . ?
C232 C233 C234 120.0 . . ?
C232 C233 H233 120.0 . . ?
C231 C232 H232 120.0 . . ?
C233 C232 C231 120.0 . . ?
C233 C232 H232 120.0 . . ?
C234 C237 H23A 109.5 . . ?
C234 C237 H23B 109.5 . . ?
C234 C237 H23C 109.5 . . ?
H23A C237 H23B 109.5 . . ?
H23A C237 H23C 109.5 . . ?
H23B C237 H23C 109.5 . . ?
C241 C246 H246 120.0 . . ?
C241 C246 C245 120.0 . . ?
C245 C246 H246 120.0 . . ?
C246 C241 S24 129.4(18) . . ?
C246 C241 C242 120.0 . . ?
C242 C241 S24 110.4(18) . . ?
C241 C242 H242 120.0 . . ?
C243 C242 C241 120.0 . . ?
C243 C242 H242 120.0 . . ?
C242 C243 H243 120.0 . . ?
C242 C243 C244 120.0 . . ?
C244 C243 H243 120.0 . . ?
C243 C244 C247 123(3) . . ?
C245 C244 C243 120.0 . . ?
C245 C244 C247 116(3) . . ?
C246 C245 H245 120.0 . . ?
C244 C245 C246 120.0 . . ?
C244 C245 H245 120.0 . . ?
C244 C247 H24A 109.5 . . ?
C244 C247 H24B 109.5 . . ?
C244 C247 H24C 109.5 . . ?
H24A C247 H24B 109.5 . . ?
H24A C247 H24C 109.5 . . ?
H24B C247 H24C 109.5 . . ?
C252 C251 S25 130(4) . . ?
C252 C251 C256 119(4) . . ?
C256 C251 S25 111(4) . . ?
C251 C252 H252 117.0 . . ?
C251 C252 C253 126(5) . . ?
C253 C252 H252 117.0 . . ?
C252 C253 H253 123.0 . . ?
C252 C253 C254 114(5) . . ?
C254 C253 H253 123.0 . . ?
C253 C254 C257 116(4) . . ?
C255 C254 C253 125(4) . . ?
C255 C254 C257 119(4) . . ?
C254 C255 H255 120.5 . . ?
C254 C255 C256 119(5) . . ?
C256 C255 H255 120.5 . . ?
C251 C256 H256 121.7 . . ?
C255 C256 C251 117(5) . . ?
C255 C256 H256 121.7 . . ?
C254 C257 H25A 109.5 . . ?
C254 C257 H25B 109.5 . . ?
C254 C257 H25C 109.5 . . ?
H25A C257 H25B 109.5 . . ?
H25A C257 H25C 109.5 . . ?
H25B C257 H25C 109.5 . . ?
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
Au1 Au4 3.015(3) . ?
Au1 Au7 3.226(2) . ?
Au1 Au8 2.987(2) . ?
Au1 Au11 3.2097(19) . ?
Au1 S14 2.310(9) . ?
Au1 S21 2.297(11) . ?
Au2 Au3 3.218(2) . ?
Au2 Au8 2.856(2) . ?
Au2 Au9 3.348(2) . ?
Au2 Au11 3.354(2) . ?
Au2 S14 2.309(8) . ?
Au2 S15 2.314(8) . ?
Au3 Au4 2.768(2) . ?
Au3 Au6 3.042(2) . ?
Au3 Au9 3.0228(19) . ?
Au3 Au10 3.0089(19) . ?
Au3 Au11 2.7556(19) . ?
Au3 Au13 2.740(2) . ?
Au3 S4 2.395(9) . ?
Au4 Au5 3.113(3) . ?
Au4 Au7 2.975(2) . ?
Au4 Au11 2.750(2) . ?
Au4 Au12 2.996(2) . ?
Au4 Au13 2.7625(19) . ?
Au4 S1 2.411(8) . ?
Au5 Au12 3.307(3) . ?
Au5 Au13 3.286(2) . ?
Au5 Au14 2.876(2) . ?
Au5 S16 2.308(13) . ?
Au5 S23 2.288(13) . ?
Au6 Au10 3.301(2) . ?
Au6 Au13 3.358(2) . ?
Au6 Au14 2.965(3) . ?
Au6 S16 2.310(11) . ?
Au6 S17 2.333(10) . ?
Au7 Au11 3.087(2) . ?
Au7 Au12 2.716(3) . ?
Au7 Au15 2.732(2) . ?
Au7 Au16 2.953(2) . ?
Au7 Au19 2.7866(19) . ?
Au7 S21 2.380(9) . ?
Au8 Au11 2.739(2) . ?
Au8 Au16 2.720(2) . ?
Au8 Au17 2.7360(18) . ?
Au8 Au29 3.010(2) . ?
Au8 S7 2.404(11) . ?
Au9 Au10 2.722(2) . ?
Au9 Au11 3.074(2) . ?
Au9 Au17 2.892(2) . ?
Au9 Au18 2.7486(19) . ?
Au9 Au20 2.791(2) . ?
Au9 S15 2.354(10) . ?
Au10 Au13 2.980(2) . ?
Au10 Au18 2.7425(18) . ?
Au10 Au20 2.808(2) . ?
Au10 Au22 2.920(3) . ?
Au10 S17 2.381(9) . ?
Au11 Au13 2.917(2) . ?
Au11 Au16 2.782(2) . ?
Au11 Au17 2.801(2) . ?
Au11 Au19 2.961(2) . ?
Au11 Au20 2.9689(18) . ?
Au12 Au13 3.111(2) . ?
Au12 Au15 2.738(2) . ?
Au12 Au19 2.816(2) . ?
Au12 Au21 2.899(2) . ?
Au12 S23 2.374(12) . ?
Au13 Au14 2.691(2) . ?
Au13 Au19 2.929(2) . ?
Au13 Au20 2.9037(19) . ?
Au13 Au21 2.787(2) . ?
Au13 Au22 2.868(2) . ?
Au14 Au21 2.770(2) . ?
Au14 Au22 2.722(2) . ?
Au14 Au35 3.008(8) . ?
Au14 Au37 2.947(8) . ?
Au14 S10 2.366(15) . ?
Au15 Au19 2.730(2) . ?
Au15 Au23 2.869(3) . ?
Au15 Au26 2.928(2) . ?
Au15 Au34 2.932(2) . ?
Au15 S3 2.430(11) . ?
Au16 Au17 2.733(2) . ?
Au16 Au19 3.141(3) . ?
Au16 Au23 3.216(2) . ?
Au16 Au24 3.012(2) . ?
Au16 S22 2.347(10) . ?
Au17 Au20 3.060(2) . ?
Au17 Au24 2.964(2) . ?
Au17 Au25 3.2844(19) . ?
Au17 S18 2.388(9) . ?
Au18 Au20 2.713(2) . ?
Au18 Au25 3.012(2) . ?
Au18 Au28 2.896(2) . ?
Au18 Au32 3.074(2) . ?
Au18 S6 2.371(10) . ?
Au19 Au20 2.953(2) . ?
Au19 Au21 3.030(3) . ?
Au19 Au23 3.193(2) . ?
Au19 Au24 2.754(2) . ?
Au19 Au26 3.270(2) . ?
Au19 Au27 2.7614(19) . ?
Au20 Au22 3.098(3) . ?
Au20 Au24 2.742(2) . ?
Au20 Au25 3.227(2) . ?
Au20 Au27 2.743(2) . ?
Au20 Au28 3.287(2) . ?
Au21 Au22 2.715(2) . ?
Au21 Au26 3.365(3) . ?
Au21 Au27 3.017(2) . ?
Au21 S24 2.361(12) . ?
Au22 Au27 3.031(2) . ?
Au22 Au28 3.294(2) . ?
Au22 S20 2.348(10) . ?
Au23 Au24 3.088(2) . ?
Au23 S22 2.309(11) . ?
Au23 S25 2.305(11) . ?
Au24 Au25 3.010(2) . ?
Au24 Au27 2.780(2) . ?
Au24 S9 2.400(9) . ?
Au25 S18 2.302(11) . ?
Au25 S19 2.289(12) . ?
Au26 Au27 3.079(2) . ?
Au26 S24 2.293(14) . ?
Au26 S25 2.310(13) . ?
Au27 Au28 3.101(2) . ?
Au27 S13 2.397(13) . ?
Au28 S19 2.287(11) . ?
Au28 S20 2.303(10) . ?
Au29 S7 2.308(8) . ?
Au29 S8 2.294(8) . ?
Au30 S8 2.303(13) . ?
Au30 S9 2.299(11) . ?
Au31 S4 2.271(8) . ?
Au31 S5 2.279(10) . ?
Au32 S5 2.288(10) . ?
Au32 S6 2.310(10) . ?
Au33 S1 2.289(9) . ?
Au33 S2 2.299(11) . ?
Au34 S2 2.302(9) . ?
Au34 S3 2.316(9) . ?
Au35 S10 2.112(18) . ?
Au35 S11 2.40(4) . ?
Au36 S11 2.33(4) . ?
Au36 S13 2.409(18) . ?
Au37 S10 2.534(17) . ?
Au37 S12 2.17(4) . ?
Au38 S12 2.30(4) . ?
Au38 S13 2.017(19) . ?
S1 C11 1.78(4) . ?
S2 C21 1.71(4) . ?
S3 C31 1.76(5) . ?
S4 C41 1.770(16) . ?
S5 C51 1.76(4) . ?
S6 C61 1.750(19) . ?
S7 C71 1.779(19) . ?
S8 C81 1.78(5) . ?
S9 C91 1.78(3) . ?
S10 C101 1.74(2) . ?
S11 C111 1.751(10) . ?
S12 C121 1.751(10) . ?
S13 C131 1.70(2) . ?
S14 C141 1.75(4) . ?
S15 C151 1.75(3) . ?
S16 C161 1.74(2) . ?
S17 C171 1.74(4) . ?
S18 C181 1.77(2) . ?
S19 C191 1.799(18) . ?
S20 C201 1.77(2) . ?
S21 C211 1.777(19) . ?
S22 C221 1.81(5) . ?
S23 C231 1.79(2) . ?
S24 C241 1.85(2) . ?
S25 C251 1.78(4) . ?
C11 C12 1.44(5) . ?
C11 C16 1.36(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.35(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.32(4) . ?
C14 C15 1.37(5) . ?
C14 C17 1.547(12) . ?
C15 H15 0.9300 . ?
C15 C16 1.47(5) . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C21 C22 1.44(5) . ?
C21 C26 1.40(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.42(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.34(5) . ?
C24 C25 1.42(5) . ?
C24 C27 1.547(12) . ?
C25 H25 0.9300 . ?
C25 C26 1.32(5) . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C31 C32 1.40(6) . ?
C31 C36 1.34(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.40(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.31(5) . ?
C34 C35 1.42(5) . ?
C34 C37 1.545(12) . ?
C35 H35 0.9300 . ?
C35 C36 1.37(6) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C44 C45 1.3900 . ?
C44 C43 1.3900 . ?
C44 C47 1.547(12) . ?
C45 H45 0.9300 . ?
C45 C46 1.3900 . ?
C46 H46 0.9300 . ?
C46 C41 1.3900 . ?
C41 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C43 1.3900 . ?
C43 H43 0.9300 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C51 C52 1.45(5) . ?
C51 C56 1.34(5) . ?
C52 H52 0.9300 . ?
C52 C53 1.37(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.37(5) . ?
C54 C55 1.39(5) . ?
C54 C57 1.545(12) . ?
C55 H55 0.9300 . ?
C55 C56 1.33(5) . ?
C56 H56 0.9300 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C61 C66 1.3900 . ?
C61 C62 1.3900 . ?
C66 H66 0.9300 . ?
C66 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C64 1.3900 . ?
C64 C63 1.3900 . ?
C64 C67 1.547(12) . ?
C63 H63 0.9300 . ?
C63 C62 1.3900 . ?
C62 H62 0.9300 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C73 H73 0.9300 . ?
C73 C74 1.3900 . ?
C73 C72 1.3900 . ?
C74 C75 1.3900 . ?
C74 C77 1.546(12) . ?
C75 H75 0.9300 . ?
C75 C76 1.3900 . ?
C76 H76 0.9300 . ?
C76 C71 1.3900 . ?
C71 C72 1.3900 . ?
C72 H72 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C81 C82 1.41(6) . ?
C81 C86 1.35(5) . ?
C82 H82 0.9300 . ?
C82 C83 1.33(6) . ?
C83 H83 0.9300 . ?
C83 C84 1.37(5) . ?
C84 C85 1.44(6) . ?
C84 C87 1.548(12) . ?
C85 H85 0.9300 . ?
C85 C86 1.36(6) . ?
C86 H86 0.9300 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C91 C92 1.36(6) . ?
C91 C96 1.29(5) . ?
C92 H92 0.9300 . ?
C92 C93 1.46(4) . ?
C93 H93 0.9300 . ?
C93 C94 1.34(5) . ?
C94 C95 1.41(5) . ?
C94 C97 1.549(12) . ?
C95 H95 0.9300 . ?
C95 C96 1.45(4) . ?
C96 H96 0.9300 . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C101 C106 1.3900 . ?
C101 C102 1.3900 . ?
C106 H106 0.9300 . ?
C106 C105 1.3900 . ?
C105 H105 0.9300 . ?
C105 C104 1.3900 . ?
C104 C103 1.3900 . ?
C104 C107 1.549(12) . ?
C103 H103 0.9300 . ?
C103 C102 1.3900 . ?
C102 H102 0.9300 . ?
C107 H10A 0.9600 . ?
C107 H10B 0.9600 . ?
C107 H10C 0.9600 . ?
C114 C113 1.3900 . ?
C114 C115 1.3900 . ?
C114 C117 1.547(12) . ?
C113 H113 0.9300 . ?
C113 C112 1.3900 . ?
C112 H112 0.9300 . ?
C112 C111 1.3900 . ?
C111 C116 1.3900 . ?
C116 H116 0.9300 . ?
C116 C115 1.3900 . ?
C115 H115 0.9300 . ?
C121 C126 1.3900 . ?
C121 C122 1.3900 . ?
C126 H126 0.9300 . ?
C126 C125 1.3900 . ?
C125 H125 0.9300 . ?
C125 C124 1.3900 . ?
C124 C123 1.3900 . ?
C124 C127 1.546(12) . ?
C123 H123 0.9300 . ?
C123 C122 1.3900 . ?
C122 H122 0.9300 . ?
C136 H136 0.9300 . ?
C136 C131 1.3900 . ?
C136 C135 1.3900 . ?
C131 C132 1.3900 . ?
C132 H132 0.9300 . ?
C132 C133 1.3900 . ?
C133 H133 0.9300 . ?
C133 C134 1.3900 . ?
C134 C135 1.3900 . ?
C134 C137 1.548(12) . ?
C135 H135 0.9300 . ?
C137 H13A 0.9600 . ?
C137 H13B 0.9600 . ?
C137 H13C 0.9600 . ?
C141 C142 1.35(5) . ?
C141 C146 1.43(5) . ?
C142 H142 0.9300 . ?
C142 C143 1.35(5) . ?
C143 H143 0.9300 . ?
C143 C144 1.40(5) . ?
C144 C145 1.37(5) . ?
C144 C147 1.548(12) . ?
C145 H145 0.9300 . ?
C145 C146 1.34(5) . ?
C146 H146 0.9300 . ?
C147 H14A 0.9600 . ?
C147 H14B 0.9600 . ?
C147 H14C 0.9600 . ?
C151 C152 1.41(4) . ?
C151 C156 1.44(4) . ?
C152 H152 0.9300 . ?
C152 C153 1.37(4) . ?
C153 H153 0.9300 . ?
C153 C154 1.37(4) . ?
C154 C155 1.34(4) . ?
C154 C157 1.546(12) . ?
C155 H155 0.9300 . ?
C155 C156 1.26(4) . ?
C156 H156 0.9300 . ?
C157 H15A 0.9600 . ?
C157 H15B 0.9600 . ?
C157 H15C 0.9600 . ?
C163 H163 0.9300 . ?
C163 C164 1.3900 . ?
C163 C162 1.3900 . ?
C164 C165 1.3900 . ?
C164 C167 1.548(12) . ?
C165 H165 0.9300 . ?
C165 C166 1.3900 . ?
C166 H166 0.9300 . ?
C166 C161 1.3900 . ?
C161 C162 1.3900 . ?
C162 H162 0.9300 . ?
C167 H16A 0.9600 . ?
C167 H16B 0.9600 . ?
C167 H16C 0.9600 . ?
C171 C172 1.45(5) . ?
C171 C176 1.49(5) . ?
C172 H172 0.9300 . ?
C172 C173 1.45(5) . ?
C173 H173 0.9300 . ?
C173 C174 1.41(5) . ?
C174 C175 1.28(5) . ?
C174 C177 1.549(12) . ?
C175 H175 0.9300 . ?
C175 C176 1.41(5) . ?
C176 H176 0.9300 . ?
C177 H17D 0.9600 . ?
C177 H17E 0.9600 . ?
C177 H17F 0.9600 . ?
C183 H183 0.9300 . ?
C183 C182 1.3900 . ?
C183 C184 1.3900 . ?
C182 H182 0.9300 . ?
C182 C181 1.3900 . ?
C181 C186 1.3900 . ?
C186 H186 0.9300 . ?
C186 C185 1.3900 . ?
C185 H185 0.9300 . ?
C185 C184 1.3900 . ?
C184 C187 1.548(12) . ?
C187 H18A 0.9600 . ?
C187 H18B 0.9600 . ?
C187 H18C 0.9600 . ?
C191 C192 1.3900 . ?
C191 C196 1.3900 . ?
C192 H192 0.9300 . ?
C192 C193 1.3900 . ?
C193 H193 0.9300 . ?
C193 C194 1.3900 . ?
C194 C195 1.3900 . ?
C194 C197 1.548(12) . ?
C195 H195 0.9300 . ?
C195 C196 1.3900 . ?
C196 H196 0.9300 . ?
C197 H19A 0.9600 . ?
C197 H19B 0.9600 . ?
C197 H19C 0.9600 . ?
C202 H202 0.9300 . ?
C202 C201 1.3900 . ?
C202 C203 1.3900 . ?
C201 C206 1.3900 . ?
C206 H206 0.9300 . ?
C206 C205 1.3900 . ?
C205 H205 0.9300 . ?
C205 C204 1.3900 . ?
C204 C203 1.3900 . ?
C204 C207 1.550(12) . ?
C203 H203 0.9300 . ?
C207 H20A 0.9600 . ?
C207 H20B 0.9600 . ?
C207 H20C 0.9600 . ?
C211 C216 1.3900 . ?
C211 C212 1.3900 . ?
C216 H216 0.9300 . ?
C216 C215 1.3900 . ?
C215 H215 0.9300 . ?
C215 C214 1.3900 . ?
C214 C213 1.3900 . ?
C214 C217 1.547(12) . ?
C213 H213 0.9300 . ?
C213 C212 1.3900 . ?
C212 H212 0.9300 . ?
C217 H21A 0.9600 . ?
C217 H21B 0.9600 . ?
C217 H21C 0.9600 . ?
C221 C222 1.43(6) . ?
C221 C226 1.23(5) . ?
C222 H222 0.9300 . ?
C222 C223 1.46(6) . ?
C223 H223 0.9300 . ?
C223 C224 1.27(5) . ?
C224 C225 1.46(6) . ?
C224 C227 1.548(12) . ?
C225 H225 0.9300 . ?
C225 C226 1.41(6) . ?
C226 H226 0.9300 . ?
C227 H22A 0.9600 . ?
C227 H22B 0.9600 . ?
C227 H22C 0.9600 . ?
C231 C236 1.3900 . ?
C231 C232 1.3900 . ?
C236 H236 0.9300 . ?
C236 C235 1.3900 . ?
C235 H235 0.9300 . ?
C235 C234 1.3900 . ?
C234 C233 1.3900 . ?
C234 C237 1.550(12) . ?
C233 H233 0.9300 . ?
C233 C232 1.3900 . ?
C232 H232 0.9300 . ?
C237 H23A 0.9600 . ?
C237 H23B 0.9600 . ?
C237 H23C 0.9600 . ?
C246 H246 0.9300 . ?
C246 C241 1.3900 . ?
C246 C245 1.3900 . ?
C241 C242 1.3900 . ?
C242 H242 0.9300 . ?
C242 C243 1.3900 . ?
C243 H243 0.9300 . ?
C243 C244 1.3900 . ?
C244 C245 1.3900 . ?
C244 C247 1.548(12) . ?
C245 H245 0.9300 . ?
C247 H24A 0.9600 . ?
C247 H24B 0.9600 . ?
C247 H24C 0.9600 . ?
C251 C252 1.28(6) . ?
C251 C256 1.48(6) . ?
C252 H252 0.9300 . ?
C252 C253 1.40(5) . ?
C253 H253 0.9300 . ?
C253 C254 1.41(6) . ?
C254 C255 1.30(6) . ?
C254 C257 1.546(12) . ?
C255 H255 0.9300 . ?
C255 C256 1.43(6) . ?
C256 H256 0.9300 . ?
C257 H25A 0.9600 . ?
C257 H25B 0.9600 . ?
C257 H25C 0.9600 . ?
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
Au1 S14 C141 C142 178(3) . . . . ?
Au1 S14 C141 C146 -12(3) . . . . ?
Au1 S21 C211 C216 -9.5(15) . . . . ?
Au1 S21 C211 C212 175.6(9) . . . . ?
Au2 S14 C141 C142 69(3) . . . . ?
Au2 S14 C141 C146 -121(3) . . . . ?
Au2 S15 C151 C152 23(4) . . . . ?
Au2 S15 C151 C156 -162(3) . . . . ?
Au3 S4 C41 C46 81.6(12) . . . . ?
Au3 S4 C41 C42 -101.4(13) . . . . ?
Au4 S1 C11 C12 -102(3) . . . . ?
Au4 S1 C11 C16 76(3) . . . . ?
Au5 S16 C161 C166 65.4(13) . . . . ?
Au5 S16 C161 C162 -114.6(13) . . . . ?
Au5 S23 C231 C236 28.2(19) . . . . ?
Au5 S23 C231 C232 -154.9(15) . . . . ?
Au6 S16 C161 C166 168.9(12) . . . . ?
Au6 S16 C161 C162 -11.1(13) . . . . ?
Au6 S17 C171 C172 30(3) . . . . ?
Au6 S17 C171 C176 -159(3) . . . . ?
Au7 S21 C211 C216 87.4(14) . . . . ?
Au7 S21 C211 C212 -87.5(12) . . . . ?
Au8 S7 C71 C76 -69.9(15) . . . . ?
Au8 S7 C71 C72 106.8(13) . . . . ?
Au9 S15 C151 C152 122(3) . . . . ?
Au9 S15 C151 C156 -63(3) . . . . ?
Au10 S17 C171 C172 128(3) . . . . ?
Au10 S17 C171 C176 -61(3) . . . . ?
Au12 S23 C231 C236 124.2(15) . . . . ?
Au12 S23 C231 C232 -58.9(19) . . . . ?
Au14 S10 C101 C106 -86.9(15) . . . . ?
Au14 S10 C101 C102 92.8(15) . . . . ?
Au15 S3 C31 C32 62(4) . . . . ?
Au15 S3 C31 C36 -114(3) . . . . ?
Au16 S22 C221 C222 52.3(14) . . . . ?
Au16 S22 C221 C226 -128.3(18) . . . . ?
Au17 S18 C181 C182 73.7(12) . . . . ?
Au17 S18 C181 C186 -117.5(10) . . . . ?
Au18 S6 C61 C66 -81.2(13) . . . . ?
Au18 S6 C61 C62 95.7(15) . . . . ?
Au21 S24 C241 C246 -122.3(16) . . . . ?
Au21 S24 C241 C242 63.7(15) . . . . ?
Au22 S20 C201 C202 64.8(16) . . . . ?
Au22 S20 C201 C206 -122.6(14) . . . . ?
Au23 S22 C221 C222 143.8(13) . . . . ?
Au23 S22 C221 C226 -36.8(17) . . . . ?
Au23 S25 C251 C252 115.9(14) . . . . ?
Au23 S25 C251 C256 -64.9(15) . . . . ?
Au24 S9 C91 C92 109(3) . . . . ?
Au24 S9 C91 C96 -81(3) . . . . ?
Au25 S18 C181 C182 172.4(8) . . . . ?
Au25 S18 C181 C186 -18.8(13) . . . . ?
Au25 S19 C191 C192 9.3(17) . . . . ?
Au25 S19 C191 C196 -176.9(11) . . . . ?
Au26 S24 C241 C246 -19(2) . . . . ?
Au26 S24 C241 C242 166.6(11) . . . . ?
Au26 S25 C251 C252 12.2(13) . . . . ?
Au26 S25 C251 C256 -168.6(14) . . . . ?
Au27 S13 C131 C136 -69.1(12) . . . . ?
Au27 S13 C131 C132 111.2(12) . . . . ?
Au28 S19 C191 C192 112.1(14) . . . . ?
Au28 S19 C191 C196 -74.2(14) . . . . ?
Au28 S20 C201 C202 162.7(12) . . . . ?
Au28 S20 C201 C206 -24.8(17) . . . . ?
Au29 S7 C71 C76 13.5(17) . . . . ?
Au29 S7 C71 C72 -169.8(11) . . . . ?
Au29 S8 C81 C82 44.2(12) . . . . ?
Au29 S8 C81 C86 -134.7(15) . . . . ?
Au30 S8 C81 C82 151.0(12) . . . . ?
Au30 S8 C81 C86 -27.9(15) . . . . ?
Au30 S9 C91 C92 -3(3) . . . . ?
Au30 S9 C91 C96 166(3) . . . . ?
Au31 S4 C41 C46 -167.5(10) . . . . ?
Au31 S4 C41 C42 9.5(16) . . . . ?
Au31 S5 C51 C52 64(3) . . . . ?
Au31 S5 C51 C56 -113(3) . . . . ?
Au32 S5 C51 C52 172(3) . . . . ?
Au32 S5 C51 C56 -5(4) . . . . ?
Au32 S6 C61 C66 -168.3(10) . . . . ?
Au32 S6 C61 C62 8.6(17) . . . . ?
Au33 S1 C11 C12 10(3) . . . . ?
Au33 S1 C11 C16 -172(3) . . . . ?
Au33 S2 C21 C22 37(4) . . . . ?
Au33 S2 C21 C26 -153(3) . . . . ?
Au34 S2 C21 C22 144(3) . . . . ?
Au34 S2 C21 C26 -46(4) . . . . ?
Au34 S3 C31 C32 -17(4) . . . . ?
Au34 S3 C31 C36 166(3) . . . . ?
Au35 S10 C101 C106 1.5(14) . . . . ?
Au35 S10 C101 C102 -178.7(13) . . . . ?
Au35 S11 C111 C112 65(3) . . . . ?
Au35 S11 C111 C116 -116(3) . . . . ?
Au36 S11 C111 C112 165(3) . . . . ?
Au36 S11 C111 C116 -15(3) . . . . ?
Au36 S13 C131 C136 162.9(12) . . . . ?
Au36 S13 C131 C132 -16.8(13) . . . . ?
Au37 S10 C101 C106 -12.1(14) . . . . ?
Au37 S10 C101 C102 167.7(13) . . . . ?
Au37 S12 C121 C126 -142(3) . . . . ?
Au37 S12 C121 C122 38(3) . . . . ?
Au38 S12 C121 C126 -22(3) . . . . ?
Au38 S12 C121 C122 158(3) . . . . ?
Au38 S13 C131 C136 170.8(12) . . . . ?
Au38 S13 C131 C132 -8.9(13) . . . . ?
S1 C11 C12 C13 178(3) . . . . ?
S1 C11 C16 C15 -179(2) . . . . ?
S2 C21 C22 C23 172(3) . . . . ?
S2 C21 C26 C25 -171(3) . . . . ?
S3 C31 C32 C33 -178(3) . . . . ?
S3 C31 C36 C35 -177(3) . . . . ?
S4 C41 C42 C43 -176.9(18) . . . . ?
S5 C51 C52 C53 -177(3) . . . . ?
S5 C51 C56 C55 180(3) . . . . ?
S6 C61 C66 C65 177.1(18) . . . . ?
S6 C61 C62 C63 -177(2) . . . . ?
S7 C71 C72 C73 -177(2) . . . . ?
S8 C81 C82 C83 178.7(17) . . . . ?
S8 C81 C86 C85 179(2) . . . . ?
S9 C91 C92 C93 177(2) . . . . ?
S9 C91 C96 C95 -179(3) . . . . ?
S10 C101 C106 C105 179.7(7) . . . . ?
S10 C101 C102 C103 -179.8(6) . . . . ?
S11 C111 C116 C115 -179.8(7) . . . . ?
S12 C121 C126 C125 -179.9(7) . . . . ?
S12 C121 C122 C123 179.9(7) . . . . ?
S13 C131 C132 C133 179.7(7) . . . . ?
S14 C141 C142 C143 172(3) . . . . ?
S14 C141 C146 C145 -167(3) . . . . ?
S15 C151 C152 C153 -178(3) . . . . ?
S15 C151 C156 C155 -180(3) . . . . ?
S16 C161 C162 C163 180.0(7) . . . . ?
S17 C171 C172 C173 178(3) . . . . ?
S17 C171 C176 C175 -170(3) . . . . ?
S18 C181 C186 C185 -168.4(16) . . . . ?
S19 C191 C192 C193 174(2) . . . . ?
S19 C191 C196 C195 -173.8(19) . . . . ?
S20 C201 C206 C205 -172(2) . . . . ?
S21 C211 C216 C215 -174.7(18) . . . . ?
S21 C211 C212 C213 175.2(16) . . . . ?
S22 C221 C222 C223 178.3(15) . . . . ?
S22 C221 C226 C225 -179(2) . . . . ?
S23 C231 C236 C235 177(2) . . . . ?
S23 C231 C232 C233 -177(2) . . . . ?
S24 C241 C242 C243 174.6(19) . . . . ?
S25 C251 C252 C253 177(2) . . . . ?
S25 C251 C256 C255 179(2) . . . . ?
C11 C12 C13 C14 5(6) . . . . ?
C12 C11 C16 C15 -1(5) . . . . ?
C12 C13 C14 C15 -11(6) . . . . ?
C12 C13 C14 C17 179(3) . . . . ?
C13 C14 C15 C16 10(6) . . . . ?
C14 C15 C16 C11 -4(5) . . . . ?
C16 C11 C12 C13 1(5) . . . . ?
C17 C14 C15 C16 -179(3) . . . . ?
C21 C22 C23 C24 -2(6) . . . . ?
C22 C21 C26 C25 0(6) . . . . ?
C22 C23 C24 C25 2(6) . . . . ?
C22 C23 C24 C27 -177(4) . . . . ?
C23 C24 C25 C26 -1(6) . . . . ?
C24 C25 C26 C21 0(7) . . . . ?
C26 C21 C22 C23 1(6) . . . . ?
C27 C24 C25 C26 178(4) . . . . ?
C31 C32 C33 C34 -1(6) . . . . ?
C32 C31 C36 C35 7(6) . . . . ?
C32 C33 C34 C35 -2(6) . . . . ?
C32 C33 C34 C37 -178(4) . . . . ?
C33 C34 C35 C36 7(6) . . . . ?
C34 C35 C36 C31 -9(6) . . . . ?
C36 C31 C32 C33 -1(6) . . . . ?
C37 C34 C35 C36 -176(4) . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C45 C44 C43 C42 0.0 . . . . ?
C45 C46 C41 S4 177.1(17) . . . . ?
C45 C46 C41 C42 0.0 . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C47 C44 C45 C46 175(2) . . . . ?
C47 C44 C43 C42 -174(3) . . . . ?
C51 C52 C53 C54 -3(6) . . . . ?
C52 C51 C56 C55 3(6) . . . . ?
C52 C53 C54 C55 3(6) . . . . ?
C52 C53 C54 C57 -179(4) . . . . ?
C53 C54 C55 C56 -1(6) . . . . ?
C54 C55 C56 C51 -2(7) . . . . ?
C56 C51 C52 C53 0(6) . . . . ?
C57 C54 C55 C56 -178(4) . . . . ?
C61 C66 C65 C64 0.0 . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
C66 C65 C64 C63 0.0 . . . . ?
C66 C65 C64 C67 179(2) . . . . ?
C65 C64 C63 C62 0.0 . . . . ?
C64 C63 C62 C61 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C67 C64 C63 C62 -179(3) . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C73 C72 C71 0.0 . . . . ?
C74 C75 C76 C71 0.0 . . . . ?
C75 C76 C71 S7 177(2) . . . . ?
C75 C76 C71 C72 0.0 . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C72 C73 C74 C77 -176(3) . . . . ?
C77 C74 C75 C76 175(3) . . . . ?
C81 C82 C83 C84 0(4) . . . . ?
C82 C81 C86 C85 0(3) . . . . ?
C82 C83 C84 C85 4(4) . . . . ?
C82 C83 C84 C87 177(2) . . . . ?
C83 C84 C85 C86 -6(4) . . . . ?
C84 C85 C86 C81 4(4) . . . . ?
C86 C81 C82 C83 -2(3) . . . . ?
C87 C84 C85 C86 -179(3) . . . . ?
C91 C92 C93 C94 -1(5) . . . . ?
C92 C91 C96 C95 -9(6) . . . . ?
C92 C93 C94 C95 -3(5) . . . . ?
C92 C93 C94 C97 -178(3) . . . . ?
C93 C94 C95 C96 2(5) . . . . ?
C94 C95 C96 C91 5(5) . . . . ?
C96 C91 C92 C93 8(5) . . . . ?
C97 C94 C95 C96 177(3) . . . . ?
C101 C106 C105 C104 0.0 . . . . ?
C106 C101 C102 C103 0.0 . . . . ?
C106 C105 C104 C103 0.0 . . . . ?
C106 C105 C104 C107 179(2) . . . . ?
C105 C104 C103 C102 0.0 . . . . ?
C104 C103 C102 C101 0.0 . . . . ?
C102 C101 C106 C105 0.0 . . . . ?
C107 C104 C103 C102 -179(2) . . . . ?
C114 C113 C112 C111 0.00(5) . . . . ?
C113 C114 C115 C116 0.0 . . . . ?
C113 C112 C111 S11 179.8(7) . . . . ?
C113 C112 C111 C116 0.0 . . . . ?
C112 C111 C116 C115 0.0 . . . . ?
C111 C116 C115 C114 0.0 . . . . ?
C115 C114 C113 C112 0.0 . . . . ?
C117 C114 C113 C112 177(3) . . . . ?
C117 C114 C115 C116 -177(3) . . . . ?
C121 C126 C125 C124 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C126 C125 C124 C123 0.0 . . . . ?
C126 C125 C124 C127 -179(3) . . . . ?
C125 C124 C123 C122 0.0 . . . . ?
C124 C123 C122 C121 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C127 C124 C123 C122 179(3) . . . . ?
C136 C131 C132 C133 0.0 . . . . ?
C131 C136 C135 C134 0.0 . . . . ?
C131 C132 C133 C134 0.0 . . . . ?
C132 C133 C134 C135 0.0 . . . . ?
C132 C133 C134 C137 177(2) . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C135 C136 C131 S13 -179.7(7) . . . . ?
C135 C136 C131 C132 0.0 . . . . ?
C137 C134 C135 C136 -177(2) . . . . ?
C141 C142 C143 C144 -1(6) . . . . ?
C142 C141 C146 C145 3(6) . . . . ?
C142 C143 C144 C145 -3(6) . . . . ?
C142 C143 C144 C147 -174(3) . . . . ?
C143 C144 C145 C146 6(6) . . . . ?
C144 C145 C146 C141 -7(6) . . . . ?
C146 C141 C142 C143 1(6) . . . . ?
C147 C144 C145 C146 178(3) . . . . ?
C151 C152 C153 C154 -5(6) . . . . ?
C152 C151 C156 C155 -5(6) . . . . ?
C152 C153 C154 C155 -1(6) . . . . ?
C152 C153 C154 C157 -178(3) . . . . ?
C153 C154 C155 C156 3(6) . . . . ?
C154 C155 C156 C151 0(6) . . . . ?
C156 C151 C152 C153 8(5) . . . . ?
C157 C154 C155 C156 -180(4) . . . . ?
C163 C164 C165 C166 0.0 . . . . ?
C164 C163 C162 C161 0.0 . . . . ?
C164 C165 C166 C161 0.0 . . . . ?
C165 C166 C161 S16 -180.0(6) . . . . ?
C165 C166 C161 C162 0.0 . . . . ?
C166 C161 C162 C163 0.0 . . . . ?
C162 C163 C164 C165 0.0 . . . . ?
C162 C163 C164 C167 178(2) . . . . ?
C167 C164 C165 C166 -178(2) . . . . ?
C171 C172 C173 C174 -10(5) . . . . ?
C172 C171 C176 C175 1(6) . . . . ?
C172 C173 C174 C175 5(6) . . . . ?
C172 C173 C174 C177 -168(3) . . . . ?
C173 C174 C175 C176 5(7) . . . . ?
C174 C175 C176 C171 -8(6) . . . . ?
C176 C171 C172 C173 7(5) . . . . ?
C177 C174 C175 C176 177(4) . . . . ?
C183 C182 C181 S18 169.1(14) . . . . ?
C183 C182 C181 C186 0.0 . . . . ?
C182 C183 C184 C185 0.0 . . . . ?
C182 C183 C184 C187 -179(2) . . . . ?
C182 C181 C186 C185 0.0 . . . . ?
C181 C186 C185 C184 0.0 . . . . ?
C186 C185 C184 C183 0.0 . . . . ?
C186 C185 C184 C187 179(2) . . . . ?
C184 C183 C182 C181 0.0 . . . . ?
C191 C192 C193 C194 0.0 . . . . ?
C192 C191 C196 C195 0.0 . . . . ?
C192 C193 C194 C195 0.0 . . . . ?
C192 C193 C194 C197 -173(3) . . . . ?
C193 C194 C195 C196 0.0 . . . . ?
C194 C195 C196 C191 0.0 . . . . ?
C196 C191 C192 C193 0.0 . . . . ?
C197 C194 C195 C196 173(3) . . . . ?
C202 C201 C206 C205 0.0 . . . . ?
C201 C202 C203 C204 0.0 . . . . ?
C201 C206 C205 C204 0.0 . . . . ?
C206 C205 C204 C203 0.0 . . . . ?
C206 C205 C204 C207 175(3) . . . . ?
C205 C204 C203 C202 0.0 . . . . ?
C203 C202 C201 S20 173(2) . . . . ?
C203 C202 C201 C206 0.0 . . . . ?
C207 C204 C203 C202 -175(3) . . . . ?
C211 C216 C215 C214 0.0 . . . . ?
C216 C211 C212 C213 0.0 . . . . ?
C216 C215 C214 C213 0.0 . . . . ?
C216 C215 C214 C217 -173(2) . . . . ?
C215 C214 C213 C212 0.0 . . . . ?
C214 C213 C212 C211 0.0 . . . . ?
C212 C211 C216 C215 0.0 . . . . ?
C217 C214 C213 C212 173(2) . . . . ?
C221 C222 C223 C224 4(3) . . . . ?
C222 C221 C226 C225 0(4) . . . . ?
C222 C223 C224 C225 -7(4) . . . . ?
C222 C223 C224 C227 -179(2) . . . . ?
C223 C224 C225 C226 6(4) . . . . ?
C224 C225 C226 C221 -2(4) . . . . ?
C226 C221 C222 C223 -1(2) . . . . ?
C227 C224 C225 C226 178(2) . . . . ?
C231 C236 C235 C234 0.0 . . . . ?
C236 C231 C232 C233 0.0 . . . . ?
C236 C235 C234 C233 0.0 . . . . ?
C236 C235 C234 C237 177(3) . . . . ?
C235 C234 C233 C232 0.0 . . . . ?
C234 C233 C232 C231 0.0 . . . . ?
C232 C231 C236 C235 0.0 . . . . ?
C237 C234 C233 C232 -177(3) . . . . ?
C246 C241 C242 C243 0.0 . . . . ?
C241 C246 C245 C244 0.0 . . . . ?
C241 C242 C243 C244 0.0 . . . . ?
C242 C243 C244 C245 0.0 . . . . ?
C242 C243 C244 C247 176(3) . . . . ?
C243 C244 C245 C246 0.0 . . . . ?
C245 C246 C241 S24 -173(2) . . . . ?
C245 C246 C241 C242 0.0 . . . . ?
C247 C244 C245 C246 -176(3) . . . . ?
C251 C252 C253 C254 4(4) . . . . ?
C252 C251 C256 C255 -2(3) . . . . ?
C252 C253 C254 C255 -1(5) . . . . ?
C252 C253 C254 C257 174(2) . . . . ?
C253 C254 C255 C256 -3(5) . . . . ?
C254 C255 C256 C251 4(4) . . . . ?
C256 C251 C252 C253 -2(3) . . . . ?
C257 C254 C255 C256 -178(3) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.050 -0.187 -0.369 9551.3 1772.0 ?
2 0.244 0.108 0.537 11.9 2.7 ?
3 0.244 0.892 0.037 11.9 2.7 ?
4 0.256 0.392 0.463 11.9 2.7 ?
5 0.256 0.608 0.963 11.9 2.7 ?
6 0.744 0.392 0.037 11.9 2.7 ?
7 0.744 0.608 0.537 11.9 2.7 ?
8 0.756 0.108 0.963 11.9 2.7 ?
9 0.756 0.892 0.463 11.9 2.7 ?
