# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_cxy3083_0m
_database_code_depnum_ccdc_archive 'CCDC 2160631'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2022-03-22 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_audit_creation_date             2020-10-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H48 Au Cl S Si5'
_chemical_formula_sum            'C20 H48 Au Cl S Si5'
_chemical_formula_weight         693.51
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.9342(3)
_cell_length_b                   27.1838(8)
_cell_length_c                   11.0297(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.5240(10)
_cell_angle_gamma                90
_cell_volume                     2895.97(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9871
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.48
_cell_measurement_theta_min      3.25
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.093
_exptl_absorpt_correction_T_max  0.1665
_exptl_absorpt_correction_T_min  0.0243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1603 before and 0.0954 after correction. The Ratio of minimum to maximum transmission is 0.1459. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.34
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            28935
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.474
_diffrn_reflns_theta_min         3.251
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5121
_reflns_number_total             5311
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         6.975
_refine_diff_density_min         -1.995
_refine_diff_density_rms         0.396
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         5311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0727
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1413P)²+7.4311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.1926
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C17(H17B,H17A), C18(H18A,H18B), C19(H19A,H19B),
 C20(H20B,H20A)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.11309(3) 0.32614(2) 0.56319(2) 0.01532(19) Uani 1 1 d . . . . .
Cl1 Cl 0.33692(17) 0.30128(6) 0.85194(15) 0.0184(4) Uani 1 1 d . . . . .
S1 S -0.06665(18) 0.29072(6) 0.40145(17) 0.0212(4) Uani 1 1 d . . . . .
Si1 Si 0.28952(18) 0.35870(6) 0.71671(16) 0.0130(4) Uani 1 1 d . . . . .
Si2 Si 0.42182(19) 0.39199(7) 0.49366(17) 0.0157(4) Uani 1 1 d . . . . .
Si3 Si 0.3152(2) 0.41156(7) 0.98390(17) 0.0179(4) Uani 1 1 d . . . . .
Si4 Si 0.09341(19) 0.45001(7) 0.75990(18) 0.0181(4) Uani 1 1 d . . . . .
Si5 Si 0.5915(2) 0.32437(6) 0.6994(2) 0.0176(5) Uani 1 1 d . . . . .
C1 C 0.4568(7) 0.3756(2) 0.6670(6) 0.0137(13) Uani 1 1 d . . . . .
C2 C 0.5639(8) 0.4321(3) 0.4598(8) 0.0268(17) Uani 1 1 d . . . . .
H2A H 0.578480 0.460452 0.516341 0.040 Uiso 1 1 calc GR . . . .
H2B H 0.537206 0.443732 0.373307 0.040 Uiso 1 1 calc GR . . . .
H2C H 0.649770 0.413074 0.472026 0.040 Uiso 1 1 calc GR . . . .
C3 C 0.4045(9) 0.3360(3) 0.3931(7) 0.0232(15) Uani 1 1 d . . . . .
H3A H 0.489321 0.316382 0.416595 0.035 Uiso 1 1 calc GR . . . .
H3B H 0.389473 0.345937 0.305559 0.035 Uiso 1 1 calc GR . . . .
H3C H 0.325614 0.316404 0.404478 0.035 Uiso 1 1 calc GR . . . .
C4 C 0.2618(8) 0.4288(3) 0.4302(7) 0.0224(15) Uani 1 1 d . . . . .
H4A H 0.180207 0.409573 0.436521 0.034 Uiso 1 1 calc GR . . . .
H4B H 0.256422 0.436796 0.342593 0.034 Uiso 1 1 calc GR . . . .
H4C H 0.264843 0.459242 0.478296 0.034 Uiso 1 1 calc GR . . . .
C5 C 0.5058(6) 0.4222(2) 0.7498(6) 0.0161(15) Uani 1 1 d . . . . .
H5A H 0.561114 0.411770 0.832565 0.019 Uiso 1 1 calc R . . . .
H5B H 0.565300 0.442869 0.709993 0.019 Uiso 1 1 calc R . . . .
C6 C 0.3807(7) 0.4520(3) 0.7659(6) 0.0172(14) Uani 1 1 d . . . . .
H6A H 0.337759 0.468633 0.686367 0.021 Uiso 1 1 calc R . . . .
H6B H 0.411524 0.477682 0.830085 0.021 Uiso 1 1 calc R . . . .
C7 C 0.2708(7) 0.4181(3) 0.8058(6) 0.0162(13) Uani 1 1 d . . . . .
C8 C 0.2914(8) 0.4712(3) 1.0610(8) 0.0265(16) Uani 1 1 d . . . . .
H8A H 0.198149 0.483911 1.025723 0.040 Uiso 1 1 calc GR . . . .
H8B H 0.360210 0.494992 1.046989 0.040 Uiso 1 1 calc GR . . . .
H8C H 0.303284 0.465857 1.150803 0.040 Uiso 1 1 calc GR . . . .
C9 C 0.2082(9) 0.3649(3) 1.0439(8) 0.0270(17) Uani 1 1 d . . . . .
H9A H 0.267793 0.337991 1.084202 0.041 Uiso 1 1 calc GR . . . .
H9B H 0.137046 0.351860 0.974357 0.041 Uiso 1 1 calc GR . . . .
H9C H 0.163723 0.380455 1.104635 0.041 Uiso 1 1 calc GR . . . .
C10 C 0.5027(8) 0.3971(3) 1.0571(7) 0.0227(15) Uani 1 1 d . . . . .
H10A H 0.561998 0.422249 1.032911 0.034 Uiso 1 1 calc GR . . . .
H10B H 0.526151 0.364786 1.028351 0.034 Uiso 1 1 calc GR . . . .
H10C H 0.517121 0.396695 1.148123 0.034 Uiso 1 1 calc GR . . . .
C11 C 0.1154(9) 0.5189(3) 0.7798(9) 0.0318(18) Uani 1 1 d . . . . .
H11A H 0.168543 0.531412 0.721816 0.048 Uiso 1 1 calc GR . . . .
H11B H 0.164930 0.526301 0.865566 0.048 Uiso 1 1 calc GR . . . .
H11C H 0.024190 0.534661 0.762181 0.048 Uiso 1 1 calc GR . . . .
C12 C -0.0336(8) 0.4279(3) 0.8503(8) 0.0301(18) Uani 1 1 d . . . . .
H12A H -0.121468 0.445520 0.822015 0.045 Uiso 1 1 calc GR . . . .
H12B H 0.003576 0.434167 0.939338 0.045 Uiso 1 1 calc GR . . . .
H12C H -0.049215 0.392543 0.836617 0.045 Uiso 1 1 calc GR . . . .
C13 C -0.0038(7) 0.4434(3) 0.5932(7) 0.0199(14) Uani 1 1 d . . . . .
H13A H -0.020580 0.408438 0.573449 0.030 Uiso 1 1 calc GR . . . .
H13B H 0.050905 0.457523 0.538525 0.030 Uiso 1 1 calc GR . . . .
H13C H -0.092509 0.460697 0.580558 0.030 Uiso 1 1 calc GR . . . .
C14 C 0.7344(8) 0.3363(3) 0.6179(8) 0.0245(16) Uani 1 1 d . . . . .
H14A H 0.804437 0.310331 0.639432 0.037 Uiso 1 1 calc GR . . . .
H14B H 0.776992 0.368231 0.644204 0.037 Uiso 1 1 calc GR . . . .
H14C H 0.696399 0.336470 0.527509 0.037 Uiso 1 1 calc GR . . . .
C15 C 0.5174(8) 0.2622(3) 0.6471(7) 0.0235(15) Uani 1 1 d . . . . .
H15A H 0.568634 0.247666 0.590062 0.035 Uiso 1 1 calc GR . . . .
H15B H 0.419656 0.265652 0.604149 0.035 Uiso 1 1 calc GR . . . .
H15C H 0.525147 0.240712 0.719856 0.035 Uiso 1 1 calc GR . . . .
C16 C 0.6844(9) 0.3209(3) 0.8685(7) 0.0215(16) Uani 1 1 d . . . . .
H16A H 0.617769 0.313628 0.918967 0.032 Uiso 1 1 calc GR . . . .
H16B H 0.729599 0.352480 0.894637 0.032 Uiso 1 1 calc GR . . . .
H16C H 0.754375 0.294834 0.879945 0.032 Uiso 1 1 calc GR . . . .
C17 C 0.0164(8) 0.2706(3) 0.2777(8) 0.0323(19) Uani 1 1 d . . . . .
H17B H 0.115504 0.279813 0.297760 0.039 Uiso 1 1 calc R . . . .
H17A H 0.008670 0.234468 0.266391 0.039 Uiso 1 1 calc R . . . .
C18 C -0.0629(9) 0.2974(3) 0.1601(8) 0.0295(18) Uani 1 1 d . . . . .
H18A H -0.006158 0.299150 0.097477 0.035 Uiso 1 1 calc R . . . .
H18B H -0.150180 0.279898 0.122836 0.035 Uiso 1 1 calc R . . . .
C19 C -0.0935(10) 0.3488(3) 0.2011(8) 0.0309(18) Uani 1 1 d . . . . .
H19A H -0.006843 0.368113 0.225903 0.037 Uiso 1 1 calc R . . . .
H19B H -0.157266 0.366265 0.132016 0.037 Uiso 1 1 calc R . . . .
C20 C -0.1593(8) 0.3429(3) 0.3104(7) 0.0225(15) Uani 1 1 d . . . . .
H20B H -0.259296 0.335532 0.281404 0.027 Uiso 1 1 calc R . . . .
H20A H -0.148170 0.373230 0.361423 0.027 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 S1 2.4101(18) . ?
Au1 Si1 2.3097(18) . ?
Cl1 Si1 2.134(2) . ?
S1 C17 1.835(8) . ?
S1 C20 1.854(8) . ?
Si1 C1 1.924(6) . ?
Si1 C7 1.922(7) . ?
Si2 C1 1.914(7) . ?
Si2 C2 1.890(8) . ?
Si2 C3 1.866(8) . ?
Si2 C4 1.870(8) . ?
Si3 C7 1.918(7) . ?
Si3 C8 1.871(8) . ?
Si3 C9 1.872(8) . ?
Si3 C10 1.891(8) . ?
Si4 C7 1.922(7) . ?
Si4 C11 1.892(8) . ?
Si4 C12 1.880(8) . ?
Si4 C13 1.875(8) . ?
Si5 C1 1.906(7) . ?
Si5 C14 1.878(8) . ?
Si5 C15 1.881(8) . ?
Si5 C16 1.880(8) . ?
C1 C5 1.571(8) . ?
C5 C6 1.529(9) . ?
C6 C7 1.569(9) . ?
C17 C18 1.535(13) . ?
C18 C19 1.522(12) . ?
C19 C20 1.508(11) . ?

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
Si1 Au1 S1 178.49(6) . . ?
C17 S1 Au1 106.6(3) . . ?
C17 S1 C20 94.5(4) . . ?
C20 S1 Au1 106.5(3) . . ?
Cl1 Si1 Au1 103.75(8) . . ?
C1 Si1 Au1 116.1(2) . . ?
C1 Si1 Cl1 108.1(2) . . ?
C7 Si1 Au1 123.3(2) . . ?
C7 Si1 Cl1 106.8(2) . . ?
C7 Si1 C1 98.0(3) . . ?
C2 Si2 C1 111.3(3) . . ?
C3 Si2 C1 111.9(3) . . ?
C3 Si2 C2 108.8(4) . . ?
C3 Si2 C4 105.2(4) . . ?
C4 Si2 C1 116.0(3) . . ?
C4 Si2 C2 103.1(4) . . ?
C8 Si3 C7 111.2(4) . . ?
C8 Si3 C9 106.5(4) . . ?
C8 Si3 C10 101.7(4) . . ?
C9 Si3 C7 114.3(3) . . ?
C9 Si3 C10 107.0(4) . . ?
C10 Si3 C7 115.1(3) . . ?
C11 Si4 C7 110.0(4) . . ?
C12 Si4 C7 113.8(4) . . ?
C12 Si4 C11 109.2(4) . . ?
C13 Si4 C7 116.4(3) . . ?
C13 Si4 C11 103.2(4) . . ?
C13 Si4 C12 103.5(4) . . ?
C14 Si5 C1 111.1(3) . . ?
C14 Si5 C15 107.1(4) . . ?
C14 Si5 C16 103.4(4) . . ?
C15 Si5 C1 113.1(3) . . ?
C16 Si5 C1 112.5(3) . . ?
C16 Si5 C15 109.0(3) . . ?
Si2 C1 Si1 111.9(3) . . ?
Si5 C1 Si1 112.8(3) . . ?
Si5 C1 Si2 108.3(3) . . ?
C5 C1 Si1 101.4(4) . . ?
C5 C1 Si2 110.7(4) . . ?
C5 C1 Si5 111.8(5) . . ?
C6 C5 C1 110.2(5) . . ?
C5 C6 C7 111.0(5) . . ?
Si3 C7 Si1 114.8(4) . . ?
Si3 C7 Si4 106.8(3) . . ?
Si4 C7 Si1 115.9(4) . . ?
C6 C7 Si1 101.1(4) . . ?
C6 C7 Si3 109.5(5) . . ?
C6 C7 Si4 108.4(5) . . ?
C18 C17 S1 104.8(5) . . ?
C19 C18 C17 106.5(7) . . ?
C20 C19 C18 107.0(7) . . ?
C19 C20 S1 105.2(5) . . ?

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 S1 C17 C18 -123.2(5) . . . . ?
Au1 S1 C20 C19 95.6(5) . . . . ?
S1 C17 C18 C19 38.7(8) . . . . ?
Si1 C1 C5 C6 -34.9(6) . . . . ?
Si2 C1 C5 C6 84.0(5) . . . . ?
Si5 C1 C5 C6 -155.3(4) . . . . ?
C1 C5 C6 C7 48.9(7) . . . . ?
C5 C6 C7 Si1 -34.7(6) . . . . ?
C5 C6 C7 Si3 86.8(6) . . . . ?
C5 C6 C7 Si4 -157.0(5) . . . . ?
C17 S1 C20 C19 -13.2(6) . . . . ?
C17 C18 C19 C20 -51.0(9) . . . . ?
C18 C19 C20 S1 38.0(8) . . . . ?
C20 S1 C17 C18 -14.5(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cxy3056_0m
_database_code_depnum_ccdc_archive 'CCDC 2160633'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2022-05-18 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_audit_creation_date             2020-09-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H48 Au Cl Ge S Si4'
_chemical_formula_sum            'C20 H48 Au Cl Ge S Si4'
_chemical_formula_weight         738.01
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.9388(3)
_cell_length_b                   27.3687(10)
_cell_length_c                   11.0478(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.247(2)
_cell_angle_gamma                90
_cell_volume                     2925.17(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.35
_cell_measurement_theta_min      4.11
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.676
_exptl_absorpt_correction_T_max  0.0652
_exptl_absorpt_correction_T_min  0.0032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1568 before and 0.1089 after correction.
The Ratio of minimum to maximum transmission is 0.0491.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0772
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            29027
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.344
_diffrn_reflns_theta_min         4.417
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5160
_reflns_number_total             5359
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         8.055
_refine_diff_density_min         -2.538
_refine_diff_density_rms         0.483
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         5359
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0760
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1472P)²+9.4005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1981
_refine_ls_wR_factor_ref         0.2001
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C17(H17A,H17B), C20(H20A,H20B), C18(H18A,H18B), C8(H8A,H8B),
 C9(H9A,H9B)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C14(H14A,H14B,H14C), C11(H11A,H11B,H11C),
 C12(H12A,H12B,H12C), C15(H15A,H15B,H15C), C13(H13A,H13B,H13C), C16(H16A,H16B,
 H16C), C6(H6A,H6B,H6C), C3(H3A,H3B,H3C), C7(H7A,H7B,H7C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.10413(3) 0.17614(2) 0.05432(3) 0.0171(2) Uani 1 1 d . . . . .
Ge1 Ge 0.28349(8) 0.14171(3) 0.21114(8) 0.0138(2) Uani 1 1 d . . . . .
Cl1 Cl 0.33413(19) 0.20097(6) 0.35478(16) 0.0206(4) Uani 1 1 d . . . . .
S1 S -0.0695(2) 0.21043(7) -0.10564(18) 0.0240(4) Uani 1 1 d . . . . .
Si3 Si 0.4256(2) 0.10770(7) -0.00919(18) 0.0171(4) Uani 1 1 d . . . . .
Si4 Si 0.5929(2) 0.17475(7) 0.1969(2) 0.0180(5) Uani 1 1 d . . . . .
Si1 Si 0.3145(2) 0.08723(8) 0.48249(19) 0.0186(4) Uani 1 1 d . . . . .
Si2 Si 0.0930(2) 0.04850(8) 0.2589(2) 0.0201(4) Uani 1 1 d . . . . .
C1 C 0.2686(8) 0.0803(3) 0.3058(7) 0.0166(14) Uani 1 1 d . . . . .
C2 C 0.4996(9) 0.1031(3) 0.5544(7) 0.0243(17) Uani 1 1 d . . . . .
H2A H 0.513201 0.104388 0.645095 0.036 Uiso 1 1 calc R U . . .
H2B H 0.521618 0.134955 0.523564 0.036 Uiso 1 1 calc R U . . .
H2C H 0.560386 0.078111 0.532190 0.036 Uiso 1 1 calc R U . . .
C5 C -0.0007(9) 0.0564(3) 0.0926(8) 0.0240(17) Uani 1 1 d . . . . .
H5A H -0.089023 0.038906 0.077769 0.036 Uiso 1 1 calc R U . . .
H5B H 0.055711 0.043163 0.038261 0.036 Uiso 1 1 calc R U . . .
H5C H -0.017803 0.091202 0.074844 0.036 Uiso 1 1 calc R U . . .
C14 C 0.7393(9) 0.1639(4) 0.1178(8) 0.0252(17) Uani 1 1 d . . . . .
H14A H 0.703551 0.164253 0.027451 0.038 Uiso 1 1 calc R U . . .
H14B H 0.781702 0.132114 0.143366 0.038 Uiso 1 1 calc R U . . .
H14C H 0.808619 0.189730 0.141494 0.038 Uiso 1 1 calc R U . . .
C11 C 0.4096(10) 0.1636(3) -0.1089(8) 0.0270(18) Uani 1 1 d . . . . .
H11A H 0.496798 0.181862 -0.089112 0.041 Uiso 1 1 calc R U . . .
H11B H 0.334964 0.184320 -0.093095 0.041 Uiso 1 1 calc R U . . .
H11C H 0.388684 0.154048 -0.196678 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2639(9) 0.0717(3) -0.0731(8) 0.0256(18) Uani 1 1 d . . . . .
H12A H 0.184090 0.089166 -0.056226 0.038 Uiso 1 1 calc R U . . .
H12B H 0.271295 0.039517 -0.033415 0.038 Uiso 1 1 calc R U . . .
H12C H 0.252094 0.067740 -0.163118 0.038 Uiso 1 1 calc R U . . .
C15 C 0.5200(9) 0.2367(3) 0.1464(8) 0.0234(16) Uani 1 1 d . . . . .
H15A H 0.556123 0.260625 0.211791 0.035 Uiso 1 1 calc R U . . .
H15B H 0.418978 0.235597 0.131405 0.035 Uiso 1 1 calc R U . . .
H15C H 0.546888 0.246190 0.069749 0.035 Uiso 1 1 calc R U . . .
C10 C 0.4589(8) 0.1236(3) 0.1622(7) 0.0161(14) Uani 1 1 d . . . . .
C19 C -0.0638(10) 0.2018(4) -0.3459(8) 0.0302(19) Uani 1 1 d . . . . .
H19A H -0.149137 0.219713 -0.385322 0.036 Uiso 1 1 calc R U . . .
H19B H -0.005346 0.198821 -0.407060 0.036 Uiso 1 1 calc R U . . .
C13 C 0.5669(9) 0.0680(3) -0.0425(8) 0.0258(18) Uani 1 1 d . . . . .
H13A H 0.545752 0.059546 -0.131021 0.039 Uiso 1 1 calc R U . . .
H13B H 0.573615 0.038024 0.007181 0.039 Uiso 1 1 calc R U . . .
H13C H 0.654917 0.085619 -0.020922 0.039 Uiso 1 1 calc R U . . .
C17 C -0.1644(9) 0.1593(3) -0.1960(8) 0.0264(18) Uani 1 1 d . . . . .
H17A H -0.156112 0.129388 -0.144474 0.032 Uiso 1 1 calc R U . . .
H17B H -0.263510 0.167524 -0.225284 0.032 Uiso 1 1 calc R U . . .
C20 C 0.0142(10) 0.2289(4) -0.2301(9) 0.036(2) Uani 1 1 d . . . . .
H20A H 0.007258 0.264683 -0.243117 0.043 Uiso 1 1 calc R U . . .
H20B H 0.113050 0.219532 -0.209477 0.043 Uiso 1 1 calc R U . . .
C16 C 0.6848(10) 0.1777(3) 0.3662(8) 0.0244(19) Uani 1 1 d . . . . .
H16A H 0.729438 0.146288 0.391912 0.037 Uiso 1 1 calc R U . . .
H16B H 0.617748 0.184899 0.416512 0.037 Uiso 1 1 calc R U . . .
H16C H 0.754883 0.203559 0.378259 0.037 Uiso 1 1 calc R U . . .
C18 C -0.0990(11) 0.1518(3) -0.3041(9) 0.033(2) Uani 1 1 d . . . . .
H18A H -0.164022 0.134872 -0.372571 0.040 Uiso 1 1 calc R U . . .
H18B H -0.014406 0.131730 -0.278910 0.040 Uiso 1 1 calc R U . . .
C6 C -0.0327(9) 0.0694(4) 0.3507(8) 0.0299(19) Uani 1 1 d . . . . .
H6A H -0.046196 0.104779 0.340845 0.045 Uiso 1 1 calc R U . . .
H6B H 0.003516 0.061683 0.438785 0.045 Uiso 1 1 calc R U . . .
H6C H -0.121290 0.052714 0.320618 0.045 Uiso 1 1 calc R U . . .
C3 C 0.2041(10) 0.1332(3) 0.5416(8) 0.0289(18) Uani 1 1 d . . . . .
H3A H 0.160324 0.117589 0.602662 0.043 Uiso 1 1 calc R U . . .
H3B H 0.132530 0.145517 0.472017 0.043 Uiso 1 1 calc R U . . .
H3C H 0.261908 0.160423 0.581054 0.043 Uiso 1 1 calc R U . . .
C7 C 0.1143(10) -0.0198(3) 0.2774(11) 0.037(2) Uani 1 1 d . . . . .
H7A H 0.156272 -0.027618 0.364486 0.055 Uiso 1 1 calc R U . . .
H7B H 0.174141 -0.031748 0.224526 0.055 Uiso 1 1 calc R U . . .
H7C H 0.023650 -0.035622 0.252868 0.055 Uiso 1 1 calc R U . . .
C8 C 0.3789(8) 0.0474(3) 0.2629(7) 0.0177(15) Uani 1 1 d . . . . .
H8A H 0.410642 0.021554 0.325672 0.021 Uiso 1 1 calc R U . . .
H8B H 0.335474 0.031293 0.183303 0.021 Uiso 1 1 calc R U . . .
C4 C 0.2921(9) 0.0273(3) 0.5574(8) 0.0276(18) Uani 1 1 d . . . . .
H4A H 0.340373 0.001681 0.522157 0.041 Uiso 1 1 calc R U . . .
H4B H 0.193533 0.019392 0.542126 0.041 Uiso 1 1 calc R U . . .
H4C H 0.330814 0.029605 0.647182 0.041 Uiso 1 1 calc R U . . .
C9 C 0.5056(7) 0.0779(3) 0.2458(6) 0.0152(15) Uani 1 1 d . . . . .
H9A H 0.566084 0.057209 0.207355 0.018 Uiso 1 1 calc R U . . .
H9B H 0.559810 0.088650 0.328242 0.018 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Ge1 2.3773(8) . ?
Au1 S1 2.3633(19) . ?
Ge1 Cl1 2.2441(19) . ?
Ge1 C1 2.003(7) . ?
Ge1 C10 2.003(7) . ?
S1 C17 1.847(10) . ?
S1 C20 1.834(10) . ?
Si3 C11 1.872(9) . ?
Si3 C12 1.879(9) . ?
Si3 C10 1.897(8) . ?
Si3 C13 1.877(9) . ?
Si4 C14 1.884(9) . ?
Si4 C15 1.878(8) . ?
Si4 C10 1.909(8) . ?
Si4 C16 1.886(9) . ?
Si1 C1 1.910(8) . ?
Si1 C2 1.880(9) . ?
Si1 C3 1.882(9) . ?
Si1 C4 1.872(9) . ?
Si2 C1 1.912(8) . ?
Si2 C5 1.872(9) . ?
Si2 C6 1.870(9) . ?
Si2 C7 1.888(9) . ?
C1 C8 1.573(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C10 C9 1.560(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.528(14) . ?
C19 C18 1.511(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.499(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.559(10) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Au1 Ge1 178.27(6) . . ?
Cl1 Ge1 Au1 103.78(6) . . ?
C1 Ge1 Au1 125.5(2) . . ?
C1 Ge1 Cl1 105.6(2) . . ?
C10 Ge1 Au1 117.1(2) . . ?
C10 Ge1 Cl1 107.6(2) . . ?
C10 Ge1 C1 96.1(3) . . ?
C17 S1 Au1 107.3(3) . . ?
C20 S1 Au1 106.9(3) . . ?
C20 S1 C17 93.8(4) . . ?
C11 Si3 C12 104.9(4) . . ?
C11 Si3 C10 111.8(4) . . ?
C11 Si3 C13 109.0(4) . . ?
C12 Si3 C10 115.7(4) . . ?
C13 Si3 C12 103.7(4) . . ?
C13 Si3 C10 111.2(4) . . ?
C14 Si4 C10 111.6(4) . . ?
C14 Si4 C16 102.5(4) . . ?
C15 Si4 C14 106.9(4) . . ?
C15 Si4 C10 113.5(4) . . ?
C15 Si4 C16 108.8(4) . . ?
C16 Si4 C10 112.8(3) . . ?
C2 Si1 C1 115.9(3) . . ?
C2 Si1 C3 106.9(4) . . ?
C3 Si1 C1 113.6(4) . . ?
C4 Si1 C1 109.9(4) . . ?
C4 Si1 C2 102.6(4) . . ?
C4 Si1 C3 107.1(4) . . ?
C5 Si2 C1 115.5(3) . . ?
C5 Si2 C7 103.8(4) . . ?
C6 Si2 C1 113.3(4) . . ?
C6 Si2 C5 104.7(4) . . ?
C6 Si2 C7 108.5(5) . . ?
C7 Si2 C1 110.4(4) . . ?
Si1 C1 Ge1 114.9(4) . . ?
Si1 C1 Si2 108.1(4) . . ?
Si2 C1 Ge1 114.4(4) . . ?
C8 C1 Ge1 100.6(5) . . ?
C8 C1 Si1 110.2(5) . . ?
C8 C1 Si2 108.3(5) . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C10 Ge1 111.3(4) . . ?
Si3 C10 Si4 108.8(4) . . ?
Si4 C10 Ge1 112.0(4) . . ?
C9 C10 Ge1 101.4(4) . . ?
C9 C10 Si3 111.6(5) . . ?
C9 C10 Si4 111.7(5) . . ?
H19A C19 H19B 108.6 . . ?
C20 C19 H19A 110.3 . . ?
C20 C19 H19B 110.3 . . ?
C18 C19 H19A 110.3 . . ?
C18 C19 H19B 110.3 . . ?
C18 C19 C20 107.0(7) . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S1 C17 H17A 110.6 . . ?
S1 C17 H17B 110.6 . . ?
H17A C17 H17B 108.7 . . ?
C18 C17 S1 105.9(6) . . ?
C18 C17 H17A 110.6 . . ?
C18 C17 H17B 110.6 . . ?
S1 C20 H20A 110.7 . . ?
S1 C20 H20B 110.7 . . ?
C19 C20 S1 105.3(6) . . ?
C19 C20 H20A 110.7 . . ?
C19 C20 H20B 110.7 . . ?
H20A C20 H20B 108.8 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C18 H18A 110.3 . . ?
C19 C18 H18B 110.3 . . ?
C17 C18 C19 107.0(8) . . ?
C17 C18 H18A 110.3 . . ?
C17 C18 H18B 110.3 . . ?
H18A C18 H18B 108.6 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C1 C8 H8A 109.3 . . ?
C1 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 C1 111.6(6) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C8 C9 C10 111.2(6) . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?

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 S1 C17 C18 -95.3(6) . . . . ?
Au1 S1 C20 C19 122.8(6) . . . . ?
Ge1 C1 C8 C9 36.1(6) . . . . ?
Ge1 C10 C9 C8 34.9(6) . . . . ?
S1 C17 C18 C19 -37.8(9) . . . . ?
Si3 C10 C9 C8 -83.6(6) . . . . ?
Si4 C10 C9 C8 154.3(5) . . . . ?
Si1 C1 C8 C9 -85.6(6) . . . . ?
Si2 C1 C8 C9 156.3(5) . . . . ?
C1 C8 C9 C10 -50.9(8) . . . . ?
C11 Si3 C10 Ge1 80.7(5) . . . . ?
C11 Si3 C10 Si4 -43.2(5) . . . . ?
C11 Si3 C10 C9 -166.9(5) . . . . ?
C12 Si3 C10 Ge1 -39.4(5) . . . . ?
C12 Si3 C10 Si4 -163.3(4) . . . . ?
C12 Si3 C10 C9 73.1(6) . . . . ?
C13 Si3 C10 Ge1 -157.3(4) . . . . ?
C13 Si3 C10 Si4 78.8(5) . . . . ?
C13 Si3 C10 C9 -44.8(6) . . . . ?
C17 S1 C20 C19 13.4(7) . . . . ?
C20 S1 C17 C18 13.8(7) . . . . ?
C20 C19 C18 C17 49.8(10) . . . . ?
C18 C19 C20 S1 -37.4(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cxy3118_0m
_database_code_depnum_ccdc_archive 'CCDC 2160634'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2022-03-22 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_audit_creation_date             2020-11-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H120 Au3 Si15, K'
_chemical_formula_sum            'C56 H134 Au3 K O2 Si15'
_chemical_formula_weight         1890.97
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.0257(7)
_cell_length_b                   19.7111(8)
_cell_length_c                   28.0391(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9962.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6529
_cell_measurement_temperature    200
_cell_measurement_theta_max      60.06
_cell_measurement_theta_min      3.15
_shelx_estimated_absorpt_T_max   0.322
_shelx_estimated_absorpt_T_min   0.140
_exptl_absorpt_coefficient_mu    10.454
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.2955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1699 before and 0.0997 after correction.
The Ratio of minimum to maximum transmission is 0.3924.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3808
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0915
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            124978
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.702
_diffrn_reflns_theta_min         3.152
_diffrn_ambient_temperature      200
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6955
_reflns_number_total             9187
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.799
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         9187
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0834
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1149P)²+99.8872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2461
_refine_ls_wR_factor_ref         0.2586
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C9_$1-C8_$1 = C24-C24_$1
 1.54 with sigma of 0.02
 H22C-H18C
 2.2 with sigma of 0.04
3.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C9(H9A,H9B), C8(H8A,H8B)
3.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C21(H21A,H21B,H21C), C14(H14A,H14B,H14C), C2(H2A,H2B,
 H2C), C18(H18A,H18B,H18C), C5(H5A,H5B,H5C), C19(H19A,H19B,H19C), C3(H3A,H3B,
 H3C), C12(H12A,H12B,H12C), C6(H6A,H6B,H6C), C13(H13A,H13B,H13C), C20(H20A,H20B,
 H20C), C7(H7A,H7B,H7C), C4(H4A,H4B,H4C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au2 Au 0.250000 0.250000 0.11832(2) 0.0639(2) Uani 1 2 d S T P . .
Au1 Au 0.17220(3) 0.25098(2) 0.20522(2) 0.0624(2) Uani 1 1 d . . . . .
Si1 Si 0.1149(2) 0.25131(16) 0.12670(12) 0.0719(9) Uani 1 1 d . . . . .
Si2 Si 0.0845(3) 0.1014(2) 0.08413(17) 0.1025(14) Uani 1 1 d . . . . .
Si3 Si -0.0204(3) 0.1551(3) 0.1629(2) 0.1097(16) Uani 1 1 d . . . . .
Si6 Si 0.250000 0.250000 0.27585(17) 0.0757(14) Uani 1 2 d S T P . .
Si7 Si 0.1979(3) 0.1017(2) 0.31090(16) 0.1020(15) Uani 1 1 d . . . . .
Si4 Si 0.0493(3) 0.4034(2) 0.13475(14) 0.0875(11) Uani 1 1 d . . . . .
Si8 Si 0.3585(3) 0.1454(3) 0.33162(13) 0.1036(16) Uani 1 1 d . . . . .
Si5 Si 0.0993(3) 0.3514(2) 0.03563(14) 0.0991(14) Uani 1 1 d . . . . .
C11 C 0.1340(9) 0.4332(7) 0.1579(6) 0.095(4) Uani 1 1 d . . . . .
H11A H 0.162429 0.395004 0.170903 0.142 Uiso 1 1 calc R U . . .
H11B H 0.124248 0.466134 0.183341 0.142 Uiso 1 1 calc R U . . .
H11C H 0.162615 0.455024 0.132467 0.142 Uiso 1 1 calc R U . . .
C17 C 0.2612(9) 0.1786(8) 0.3234(4) 0.093(5) Uani 1 1 d . . . . .
C1 C 0.0420(8) 0.1809(6) 0.1115(6) 0.094(5) Uani 1 1 d . . . . .
C21 C 0.3836(12) 0.0734(9) 0.2911(6) 0.119(6) Uani 1 1 d . . . . .
H21A H 0.355282 0.032952 0.300204 0.178 Uiso 1 1 calc R U . . .
H21B H 0.436756 0.063910 0.293842 0.178 Uiso 1 1 calc R U . . .
H21C H 0.371750 0.085662 0.258104 0.178 Uiso 1 1 calc R U . . .
C10 C 0.0604(9) 0.3263(8) 0.0964(5) 0.094(4) Uani 1 1 d . . . . .
C24 C 0.2353(9) 0.2145(5) 0.3703(5) 0.121(8) Uani 1 1 d D . . . .
H24A H 0.180408 0.215134 0.371843 0.145 Uiso 1 1 calc R U . . .
H24B H 0.254202 0.189538 0.398393 0.145 Uiso 1 1 calc R U . . .
C14 C 0.1440(13) 0.2839(10) -0.0003(5) 0.132(7) Uani 1 1 d . . . . .
H14A H 0.177219 0.257331 0.020076 0.198 Uiso 1 1 calc R U . . .
H14B H 0.172551 0.304643 -0.026210 0.198 Uiso 1 1 calc R U . . .
H14C H 0.105764 0.254185 -0.013725 0.198 Uiso 1 1 calc R U . . .
C9 C -0.0160(9) 0.2902(8) 0.0875(7) 0.109(5) Uani 1 1 d . . . . .
H9A H -0.045107 0.289926 0.117474 0.130 Uiso 1 1 calc R U . . .
H9B H -0.044491 0.315839 0.063322 0.130 Uiso 1 1 calc R U . . .
C2 C 0.1626(9) 0.0662(9) 0.1196(6) 0.103(5) Uani 1 1 d . . . . .
H2A H 0.187158 0.102951 0.137046 0.154 Uiso 1 1 calc R U . . .
H2B H 0.198356 0.044435 0.098141 0.154 Uiso 1 1 calc R U . . .
H2C H 0.143536 0.032628 0.142262 0.154 Uiso 1 1 calc R U . . .
C8 C -0.0050(11) 0.2189(8) 0.0707(7) 0.118(6) Uani 1 1 d . . . . .
H8A H 0.022280 0.218365 0.040096 0.141 Uiso 1 1 calc R U . . .
H8B H -0.053507 0.196233 0.066058 0.141 Uiso 1 1 calc R U . . .
C18 C 0.2155(15) 0.0312(13) 0.3582(9) 0.203(15) Uani 1 1 d . . . . .
H18A H 0.265280 0.012295 0.353684 0.304 Uiso 1 1 calc R U . . .
H18B H 0.178503 -0.004823 0.354396 0.304 Uiso 1 1 calc R U . . .
H18C H 0.211536 0.050682 0.390230 0.304 Uiso 1 1 calc DR U . . .
C5 C -0.1094(10) 0.1281(10) 0.1389(10) 0.158(10) Uani 1 1 d . . . . .
H5A H -0.136629 0.167645 0.127090 0.237 Uiso 1 1 calc R U . . .
H5B H -0.138246 0.105799 0.164053 0.237 Uiso 1 1 calc R U . . .
H5C H -0.101139 0.096116 0.112651 0.237 Uiso 1 1 calc R U . . .
C19 C 0.0944(9) 0.1202(9) 0.3169(8) 0.118(6) Uani 1 1 d . . . . .
H19A H 0.082240 0.128022 0.350559 0.177 Uiso 1 1 calc R U . . .
H19B H 0.065856 0.081464 0.305003 0.177 Uiso 1 1 calc R U . . .
H19C H 0.081883 0.160754 0.298329 0.177 Uiso 1 1 calc R U . . .
C3 C 0.0122(13) 0.0329(10) 0.0766(10) 0.169(11) Uani 1 1 d . . . . .
H3A H 0.003195 0.010899 0.107414 0.254 Uiso 1 1 calc R U . . .
H3B H 0.029993 -0.000825 0.053629 0.254 Uiso 1 1 calc R U . . .
H3C H -0.033976 0.053130 0.064927 0.254 Uiso 1 1 calc R U . . .
C12 C -0.0128(10) 0.3871(9) 0.1870(6) 0.112(5) Uani 1 1 d . . . . .
H12A H -0.063636 0.379713 0.175784 0.169 Uiso 1 1 calc R U . . .
H12B H -0.011711 0.426366 0.208459 0.169 Uiso 1 1 calc R U . . .
H12C H 0.004443 0.346765 0.204167 0.169 Uiso 1 1 calc R U . . .
C6 C -0.0412(13) 0.2155(11) 0.2062(8) 0.141(8) Uani 1 1 d . . . . .
H6A H 0.002944 0.243069 0.212621 0.212 Uiso 1 1 calc R U . . .
H6B H -0.056836 0.192667 0.235538 0.212 Uiso 1 1 calc R U . . .
H6C H -0.081336 0.244805 0.194720 0.212 Uiso 1 1 calc R U . . .
C13 C 0.0010(11) 0.4745(9) 0.1006(6) 0.120(6) Uani 1 1 d . . . . .
H13A H 0.030935 0.487105 0.072775 0.180 Uiso 1 1 calc R U . . .
H13B H -0.004853 0.514063 0.121448 0.180 Uiso 1 1 calc R U . . .
H13C H -0.047946 0.458994 0.089962 0.180 Uiso 1 1 calc R U . . .
C20 C 0.2094(9) 0.0667(8) 0.2486(6) 0.102(5) Uani 1 1 d . . . . .
H20A H 0.229342 0.102113 0.227661 0.153 Uiso 1 1 calc R U . . .
H20B H 0.161045 0.051770 0.236455 0.153 Uiso 1 1 calc R U . . .
H20C H 0.243598 0.028110 0.249276 0.153 Uiso 1 1 calc R U . . .
C7 C 0.0188(11) 0.0858(9) 0.1990(7) 0.123(6) Uani 1 1 d . . . . .
H7A H 0.029710 0.046876 0.178358 0.185 Uiso 1 1 calc R U . . .
H7B H -0.017019 0.072240 0.223493 0.185 Uiso 1 1 calc R U . . .
H7C H 0.064668 0.101233 0.214307 0.185 Uiso 1 1 calc R U . . .
C4 C 0.1172(15) 0.1123(8) 0.0266(7) 0.149(9) Uani 1 1 d . . . . .
H4A H 0.081693 0.139406 0.008322 0.224 Uiso 1 1 calc R U . . .
H4B H 0.123378 0.067859 0.011438 0.224 Uiso 1 1 calc R U . . .
H4C H 0.165152 0.135705 0.027610 0.224 Uiso 1 1 calc R U . . .
C15 C 0.1746(14) 0.4198(11) 0.0401(5) 0.150(10) Uani 1 1 d . . . . .
H15A H 0.154044 0.460237 0.055447 0.225 Uiso 1 1 calc R U . . .
H15B H 0.192043 0.431469 0.007994 0.225 Uiso 1 1 calc R U . . .
H15C H 0.216233 0.402516 0.058998 0.225 Uiso 1 1 calc R U . . .
C16 C 0.0219(12) 0.3813(11) -0.0038(6) 0.140(8) Uani 1 1 d . . . . .
H16A H -0.023509 0.356298 0.003959 0.210 Uiso 1 1 calc R U . . .
H16B H 0.035088 0.373305 -0.037219 0.210 Uiso 1 1 calc R U . . .
H16C H 0.013753 0.429896 0.001340 0.210 Uiso 1 1 calc R U . . .
C22 C 0.3684(14) 0.1145(11) 0.3942(6) 0.161(10) Uani 1 1 d . . . . .
H22A H 0.381060 0.152676 0.415075 0.241 Uiso 1 1 calc R U . . .
H22B H 0.407765 0.080327 0.395683 0.241 Uiso 1 1 calc R U . . .
H22C H 0.321454 0.094333 0.404728 0.241 Uiso 1 1 calc DR U . . .
C23 C 0.4331(11) 0.2058(11) 0.3233(6) 0.134(8) Uani 1 1 d . . . . .
H23A H 0.418239 0.239791 0.299639 0.201 Uiso 1 1 calc R U . . .
H23B H 0.477505 0.181938 0.311962 0.201 Uiso 1 1 calc R U . . .
H23C H 0.444066 0.228221 0.353637 0.201 Uiso 1 1 calc R U . . .
K1 K 0.250000 0.750000 0.0988(3) 0.123(2) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au2 Au1 2.8114(7) 2 ?
Au2 Au1 2.8113(7) . ?
Au2 Si1 2.447(4) . ?
Au2 Si1 2.447(4) 2 ?
Au1 Au1 2.8049(11) 2 ?
Au1 Si1 2.432(3) . ?
Au1 Si6 2.427(4) . ?
Si1 C1 1.958(13) . ?
Si1 C10 1.968(14) . ?
Si2 C1 1.905(16) . ?
Si2 C2 1.858(15) . ?
Si2 C3 1.888(19) . ?
Si2 C4 1.73(2) . ?
Si3 C1 1.899(19) . ?
Si3 C5 1.819(17) . ?
Si3 C6 1.74(2) . ?
Si3 C7 1.842(19) . ?
Si6 C17 1.948(14) 2 ?
Si6 C17 1.948(14) . ?
Si7 C17 1.93(2) . ?
Si7 C18 1.946(16) . ?
Si7 C19 1.909(17) . ?
Si7 C20 1.890(18) . ?
Si4 C11 1.761(17) . ?
Si4 C10 1.871(16) . ?
Si4 C12 1.872(17) . ?
Si4 C13 1.910(15) . ?
Si8 C17 1.885(14) . ?
Si8 C21 1.873(17) . ?
Si8 C22 1.866(18) . ?
Si8 C23 1.81(3) . ?
Si5 C10 1.909(16) . ?
Si5 C14 1.851(18) . ?
Si5 C15 1.92(3) . ?
Si5 C16 1.875(17) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C17 C24 1.565(18) . ?
C1 C8 1.61(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C10 C9 1.57(2) . ?
C24 C24 1.497(18) 2 ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C8 1.495(16) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au1 Au2 Au1 59.85(2) . 2 ?
Si1 Au2 Au1 114.41(8) . 2 ?
Si1 Au2 Au1 114.41(8) 2 . ?
Si1 Au2 Au1 54.56(8) 2 2 ?
Si1 Au2 Au1 54.56(8) . . ?
Si1 Au2 Si1 168.98(16) 2 . ?
Au1 Au1 Au2 60.076(12) 2 . ?
Si1 Au1 Au2 55.06(10) . . ?
Si1 Au1 Au1 115.13(10) . 2 ?
Si6 Au1 Au2 114.77(7) . . ?
Si6 Au1 Au1 54.69(7) . 2 ?
Si6 Au1 Si1 169.83(12) . . ?
Au1 Si1 Au2 70.38(11) . . ?
C1 Si1 Au2 129.7(5) . . ?
C1 Si1 Au1 118.7(5) . . ?
C1 Si1 C10 95.9(6) . . ?
C10 Si1 Au2 117.6(5) . . ?
C10 Si1 Au1 127.2(5) . . ?
C2 Si2 C1 113.4(7) . . ?
C2 Si2 C3 108.4(9) . . ?
C3 Si2 C1 110.8(9) . . ?
C4 Si2 C1 114.2(7) . . ?
C4 Si2 C2 106.6(10) . . ?
C4 Si2 C3 102.7(12) . . ?
C5 Si3 C1 108.6(10) . . ?
C5 Si3 C7 108.9(9) . . ?
C6 Si3 C1 118.3(8) . . ?
C6 Si3 C5 105.6(12) . . ?
C6 Si3 C7 102.0(10) . . ?
C7 Si3 C1 112.8(8) . . ?
Au1 Si6 Au1 70.61(13) 2 . ?
C17 Si6 Au1 119.5(4) 2 . ?
C17 Si6 Au1 128.6(5) 2 2 ?
C17 Si6 Au1 128.6(5) . . ?
C17 Si6 Au1 119.5(4) . 2 ?
C17 Si6 C17 93.7(9) . 2 ?
C17 Si7 C18 110.0(12) . . ?
C19 Si7 C17 114.3(7) . . ?
C19 Si7 C18 103.6(9) . . ?
C20 Si7 C17 112.9(7) . . ?
C20 Si7 C18 110.6(10) . . ?
C20 Si7 C19 105.0(9) . . ?
C11 Si4 C10 113.0(7) . . ?
C11 Si4 C12 106.7(8) . . ?
C11 Si4 C13 109.6(8) . . ?
C10 Si4 C12 112.0(8) . . ?
C10 Si4 C13 110.9(7) . . ?
C12 Si4 C13 104.2(8) . . ?
C21 Si8 C17 114.4(8) . . ?
C22 Si8 C17 108.5(8) . . ?
C22 Si8 C21 107.4(8) . . ?
C23 Si8 C17 116.5(8) . . ?
C23 Si8 C21 103.9(9) . . ?
C23 Si8 C22 105.4(11) . . ?
C10 Si5 C15 112.6(7) . . ?
C14 Si5 C10 117.4(7) . . ?
C14 Si5 C15 103.4(10) . . ?
C14 Si5 C16 103.2(9) . . ?
C16 Si5 C10 109.5(8) . . ?
C16 Si5 C15 110.1(9) . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si7 C17 Si6 112.5(7) . . ?
Si8 C17 Si6 115.6(8) . . ?
Si8 C17 Si7 107.4(8) . . ?
C24 C17 Si6 102.6(9) . . ?
C24 C17 Si7 109.3(10) . . ?
C24 C17 Si8 109.4(10) . . ?
Si2 C1 Si1 113.6(8) . . ?
Si3 C1 Si1 114.9(9) . . ?
Si3 C1 Si2 108.9(7) . . ?
C8 C1 Si1 100.3(9) . . ?
C8 C1 Si2 108.0(11) . . ?
C8 C1 Si3 110.6(12) . . ?
Si8 C21 H21A 109.5 . . ?
Si8 C21 H21B 109.5 . . ?
Si8 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C10 Si1 114.5(7) . . ?
Si4 C10 Si5 110.0(8) . . ?
Si5 C10 Si1 113.3(9) . . ?
C9 C10 Si1 99.5(9) . . ?
C9 C10 Si4 111.5(12) . . ?
C9 C10 Si5 107.3(10) . . ?
C17 C24 H24A 110.0 . . ?
C17 C24 H24B 110.0 . . ?
C24 C24 C17 108.4(11) 2 . ?
C24 C24 H24A 110.0 2 . ?
C24 C24 H24B 110.0 2 . ?
H24A C24 H24B 108.4 . . ?
Si5 C14 H14A 109.5 . . ?
Si5 C14 H14B 109.5 . . ?
Si5 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C8 C9 C10 111.1(13) . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C8 H8A 110.4 . . ?
C1 C8 H8B 110.4 . . ?
C9 C8 C1 106.5(11) . . ?
C9 C8 H8A 110.4 . . ?
C9 C8 H8B 110.4 . . ?
H8A C8 H8B 108.6 . . ?
Si7 C18 H18A 109.5 . . ?
Si7 C18 H18B 109.5 . . ?
Si7 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si7 C19 H19A 109.5 . . ?
Si7 C19 H19B 109.5 . . ?
Si7 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si7 C20 H20A 109.5 . . ?
Si7 C20 H20B 109.5 . . ?
Si7 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C7 H7A 109.5 . . ?
Si3 C7 H7B 109.5 . . ?
Si3 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si5 C15 H15A 109.5 . . ?
Si5 C15 H15B 109.5 . . ?
Si5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si5 C16 H16A 109.5 . . ?
Si5 C16 H16B 109.5 . . ?
Si5 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si8 C22 H22A 109.5 . . ?
Si8 C22 H22B 109.5 . . ?
Si8 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si8 C23 H23A 109.5 . . ?
Si8 C23 H23B 109.5 . . ?
Si8 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
Si1 C1 C8 C9 -42.4(17) . . . . ?
Si1 C10 C9 C8 -40.8(16) . . . . ?
Si2 C1 C8 C9 -161.6(13) . . . . ?
Si3 C1 C8 C9 79.3(16) . . . . ?
Si6 C17 C24 C24 -40.2(17) . . . 2 ?
Si7 C17 C24 C24 -159.7(13) . . . 2 ?
Si4 C10 C9 C8 -162.1(12) . . . . ?
Si8 C17 C24 C24 83.0(16) . . . 2 ?
Si5 C10 C9 C8 77.4(15) . . . . ?
C11 Si4 C10 Si1 53.0(11) . . . . ?
C11 Si4 C10 Si5 -76.0(9) . . . . ?
C11 Si4 C10 C9 165.1(10) . . . . ?
C21 Si8 C17 Si6 -88.6(11) . . . . ?
C21 Si8 C17 Si7 37.9(10) . . . . ?
C21 Si8 C17 C24 156.3(10) . . . . ?
C10 C9 C8 C1 59(2) . . . . ?
C5 Si3 C1 Si1 150.2(9) . . . . ?
C5 Si3 C1 Si2 -81.0(10) . . . . ?
C5 Si3 C1 C8 37.5(12) . . . . ?
C12 Si4 C10 Si1 -67.5(11) . . . . ?
C12 Si4 C10 Si5 163.5(8) . . . . ?
C12 Si4 C10 C9 44.6(12) . . . . ?
C6 Si3 C1 Si1 29.9(13) . . . . ?
C6 Si3 C1 Si2 158.7(10) . . . . ?
C6 Si3 C1 C8 -82.8(13) . . . . ?
C13 Si4 C10 Si1 176.5(9) . . . . ?
C13 Si4 C10 Si5 47.6(11) . . . . ?
C13 Si4 C10 C9 -71.4(13) . . . . ?
C7 Si3 C1 Si1 -89.0(10) . . . . ?
C7 Si3 C1 Si2 39.8(10) . . . . ?
C7 Si3 C1 C8 158.4(11) . . . . ?
C22 Si8 C17 Si6 151.5(10) . . . . ?
C22 Si8 C17 Si7 -82.1(10) . . . . ?
C22 Si8 C17 C24 36.4(14) . . . . ?
C23 Si8 C17 Si6 32.8(12) . . . . ?
C23 Si8 C17 Si7 159.3(7) . . . . ?
C23 Si8 C17 C24 -82.3(12) . . . . ?

_smtbx_masks_special_details     ?
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 0.250 -0.250 -0.800 1887.4 109.2 '4 C4H8O'
2 -0.250 0.250 -0.584 1887.4 109.2 '4 C4H8O'

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cxy3117_0m
_database_code_depnum_ccdc_archive 'CCDC 2160632'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2022-05-18 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_audit_creation_date             2020-11-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H120 Au3 Ge3 Si12, C20 H40 K O8'
_chemical_formula_sum            'C68 H160 Au3 Ge3 K O8 Si12'
_chemical_formula_weight         2290.80
_chemical_melting_point          ?
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'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   23.1810(5)
_cell_length_b                   19.2043(4)
_cell_length_c                   23.5947(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.2360(10)
_cell_angle_gamma                90
_cell_volume                     10084.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    200
_cell_measurement_theta_max      68.42
_cell_measurement_theta_min      3.15
_shelx_estimated_absorpt_T_max   0.557
_shelx_estimated_absorpt_T_min   0.271
_exptl_absorpt_coefficient_mu    11.065
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1317 before and 0.0737 after correction. The Ratio of minimum to maximum transmission is 0.6228. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4608
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            97309
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.726
_diffrn_reflns_theta_min         2.362
_diffrn_ambient_temperature      200.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14359
_reflns_number_total             18487
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.207
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     963
_refine_ls_number_reflns         18487
_refine_ls_number_restraints     344
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0472P)²+4.9222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1026
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O7-C64 = O7A-C61A = O7-C61 = O7A-C64A
 1.42 with sigma of 0.02
 C64-C63 = C64A-C63A = C63-C62 = C63A-C62A = C62A-C61A = C62-C61
 1.52 with sigma of 0.02
 O3A-C52A = O3-C52 = O3-C53 = O3A-C53A = O4A-C54A = O4-C54 = O4A-C55A = O4-C55
 = O5-C56 = O5A-C56A = O5-C57 = O5A-C57A = O6A-C58A = O6-C58 = O6A-C59A = O6-
 C59 = O1A-C60A = O1-C60 = O1A-C49A = O1-C49 = O2A-C50A = O2-C50 = O2A-C51A =
 O2-C51
 1.42 with sigma of 0.02
 C52-C51 = C52A-C51A = C54A-C53A = C54-C53 = C56-C55 = C56A-C55A = C58A-C57A =
 C58-C57 = C60-C59 = C60A-C59A = C50A-C49A = C50-C49
 1.54 with sigma of 0.02
 C64-C62 = C63-C61 = C61A-C63A = C62A-C64A
 2.5 with sigma of 0.04
 C63-O7 = O7A-C63A
 2.35 with sigma of 0.04
 O7-C62 = O7A-C62A
 2.35 with sigma of 0.04
 C64-C61
 2.3 with sigma of 0.04
 K1-O7 \\sim K1-O7A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O7 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim O7A \\sim C64A \\sim C61A
\\sim C62A \\sim C63A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
O1 \\sim O2 \\sim O3 \\sim O4 \\sim O6 \\sim O5 \\sim C55 \\sim C49 \\sim C50
\\sim C51 \\sim C52 \\sim C53 \\sim C60 \\sim C59 \\sim C58 \\sim C57 \\sim C56
\\sim C54: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O7) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C63)
\\sim Ueq, Uanis(C62) \\sim Ueq, : with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O7) = Uanis(O7A)
Uanis(C61) = Uanis(C61A)
Uanis(C62) = Uanis(C62A)
Uanis(C63) = Uanis(C63A)
Uanis(C64) = Uanis(C64A)
Uanis(O2) = Uanis(O2A)
Uanis(C51) = Uanis(C51A)
Uanis(C52) = Uanis(C52A)
Uanis(O3A) = Uanis(O3)
Uanis(C53A) = Uanis(C53)
Uanis(C54A) = Uanis(C54)
Uanis(O4A) = Uanis(O4)
Uanis(C55A) = Uanis(C55)
Uanis(C56A) = Uanis(C56)
Uanis(O5A) = Uanis(O5)
Uanis(C57A) = Uanis(C57)
Uanis(C58A) = Uanis(C58)
Uanis(O6A) = Uanis(O6)
Uanis(C59A) = Uanis(C59)
Uanis(C60A) = Uanis(C60)
Uanis(O1A) = Uanis(O1)
Uanis(C49) = Uanis(C49A)
Uanis(C50A) = Uanis(C50)
Uanis(O2A) = Uanis(O2)
4. Others
 Sof(O7A)=Sof(C61A)=Sof(H61C)=Sof(H61D)=Sof(C62A)=Sof(H62C)=Sof(H62D)=
 Sof(C63A)=Sof(H63C)=Sof(H63D)=Sof(C64A)=Sof(H64C)=Sof(H64D)=1-FVAR(1)
 Sof(O7)=Sof(C61)=Sof(H61A)=Sof(H61B)=Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(C63)=
 Sof(H63A)=Sof(H63B)=Sof(C62)=Sof(H62A)=Sof(H62B)=FVAR(1)
 Sof(C60A)=Sof(H60C)=Sof(H60D)=Sof(C59A)=Sof(H59C)=Sof(H59D)=Sof(O6A)=
 Sof(C58A)=Sof(H58C)=Sof(H58D)=Sof(C57A)=Sof(H57C)=Sof(H57D)=Sof(O5A)=Sof(C56A)=
 Sof(H56C)=Sof(H56D)=Sof(C55A)=Sof(H55C)=Sof(H55D)=Sof(O4A)=Sof(C54A)=Sof(H54C)=
 Sof(H54D)=Sof(C53A)=Sof(H53C)=Sof(H53D)=Sof(O3A)=Sof(C52A)=Sof(H52C)=Sof(H52D)=
 Sof(C51A)=Sof(H51C)=Sof(H51D)=Sof(O2A)=Sof(C50A)=Sof(H50C)=Sof(H50D)=Sof(C49A)=
 Sof(H49C)=Sof(H49D)=Sof(O1A)=1-FVAR(2)
 Sof(O1)=Sof(O2)=Sof(O3)=Sof(O4)=Sof(O6)=Sof(O5)=Sof(C55)=Sof(H55A)=Sof(H55B)=
 Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(C50)=Sof(H50A)=Sof(H50B)=Sof(C51)=Sof(H51A)=
 Sof(H51B)=Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(C53)=Sof(H53A)=Sof(H53B)=Sof(C60)=
 Sof(H60A)=Sof(H60B)=Sof(C59)=Sof(H59A)=Sof(H59B)=Sof(C58)=Sof(H58A)=Sof(H58B)=
 Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(C56)=Sof(H56A)=Sof(H56B)=Sof(C54)=Sof(H54A)=
 Sof(H54B)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C40(H40A,H40B), C41(H41A,H41B), C8(H8A,H8B), C9(H9A,H9B), C24(H24A,H24B),
 C25(H25A,H25B), C55(H55A,H55B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B),
  C52(H52A,H52B), C53(H53A,H53B), C60(H60A,H60B), C59(H59A,H59B), C58(H58A,
 H58B), C57(H57A,H57B), C56(H56A,H56B), C54(H54A,H54B), C61(H61A,H61B),
 C64(H64A,H64B), C63(H63A,H63B), C62(H62A,H62B), C67(H67A,H67B), C66(H66A,H66B),
  C65(H65A,H65B), C68(H68A,H68B), C61A(H61C,H61D), C62A(H62C,H62D), C63A(H63C,
 H63D), C64A(H64C,H64D), C60A(H60C,H60D), C59A(H59C,H59D), C58A(H58C,H58D),
 C57A(H57C,H57D), C56A(H56C,H56D), C55A(H55C,H55D), C54A(H54C,H54D), C53A(H53C,
 H53D), C52A(H52C,H52D), C51A(H51C,H51D), C50A(H50C,H50D), C49A(H49C,H49D)
5.b Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C),
 C48(H48A,H48B,H48C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,
 H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C),
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C21(H21A,H21B,H21C), C22(H22A,
 H22B,H22C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.62181(2) 0.74306(2) 0.44449(2) 0.02831(6) Uani 1 1 d . . . . .
Au2 Au 0.74828(2) 0.74799(2) 0.49917(2) 0.02968(6) Uani 1 1 d . . . . .
Au3 Au 0.70290(2) 0.75455(2) 0.37397(2) 0.02891(6) Uani 1 1 d . . . . .
Ge3 Ge 0.66930(2) 0.73881(3) 0.55217(2) 0.02970(12) Uani 1 1 d . . . . .
Ge1 Ge 0.81034(2) 0.75768(3) 0.42841(3) 0.03101(13) Uani 1 1 d . . . . .
Ge2 Ge 0.59246(2) 0.74880(3) 0.33544(2) 0.02964(13) Uani 1 1 d . . . . .
Si9 Si 0.75523(7) 0.63600(10) 0.65213(7) 0.0512(4) Uani 1 1 d . . . . .
Si10 Si 0.63676(7) 0.57767(8) 0.56824(8) 0.0446(4) Uani 1 1 d . . . . .
Si11 Si 0.68551(8) 0.89160(9) 0.61420(8) 0.0491(4) Uani 1 1 d . . . . .
Si12 Si 0.55770(7) 0.82764(10) 0.57963(8) 0.0502(4) Uani 1 1 d . . . . .
Si1 Si 0.90287(7) 0.86153(9) 0.51924(7) 0.0478(4) Uani 1 1 d . . . . .
Si2 Si 0.82994(6) 0.91939(8) 0.39728(7) 0.0403(3) Uani 1 1 d . . . . .
Si3 Si 0.87566(7) 0.60522(9) 0.45107(9) 0.0551(5) Uani 1 1 d . . . . .
Si4 Si 0.85282(7) 0.66853(10) 0.32670(9) 0.0543(4) Uani 1 1 d . . . . .
Si5 Si 0.52000(7) 0.89704(9) 0.32279(9) 0.0530(4) Uani 1 1 d . . . . .
Si7 Si 0.48717(6) 0.62938(8) 0.32036(7) 0.0404(3) Uani 1 1 d . . . . .
Si8 Si 0.59464(7) 0.59838(9) 0.27082(7) 0.0440(4) Uani 1 1 d . . . . .
Si6 Si 0.58971(8) 0.86349(10) 0.23177(7) 0.0538(5) Uani 1 1 d . . . . .
C33 C 0.6747(2) 0.6581(3) 0.6095(2) 0.0363(11) Uani 1 1 d . . . . .
C34 C 0.8092(3) 0.7093(4) 0.6734(3) 0.0639(19) Uani 1 1 d . . . . .
H34A H 0.811006 0.734691 0.637930 0.096 Uiso 1 1 calc GR . . . .
H34B H 0.849143 0.690951 0.693559 0.096 Uiso 1 1 calc GR . . . .
H34C H 0.795982 0.740783 0.699946 0.096 Uiso 1 1 calc GR . . . .
C35 C 0.7560(4) 0.5959(6) 0.7257(4) 0.103(4) Uani 1 1 d . . . . .
H35A H 0.743039 0.630599 0.750009 0.154 Uiso 1 1 calc GR . . . .
H35B H 0.796853 0.580352 0.746059 0.154 Uiso 1 1 calc GR . . . .
H35C H 0.728651 0.555944 0.719150 0.154 Uiso 1 1 calc GR . . . .
C36 C 0.7929(3) 0.5745(5) 0.6115(4) 0.072(2) Uani 1 1 d . . . . .
H36A H 0.769406 0.531481 0.602295 0.108 Uiso 1 1 calc GR . . . .
H36B H 0.833424 0.563610 0.636309 0.108 Uiso 1 1 calc GR . . . .
H36C H 0.795543 0.596372 0.574792 0.108 Uiso 1 1 calc GR . . . .
C37 C 0.6483(4) 0.4985(4) 0.6173(4) 0.080(3) Uani 1 1 d . . . . .
H37A H 0.690676 0.484569 0.627615 0.120 Uiso 1 1 calc GR . . . .
H37B H 0.623207 0.460274 0.596469 0.120 Uiso 1 1 calc GR . . . .
H37C H 0.637164 0.509506 0.653420 0.120 Uiso 1 1 calc GR . . . .
C38 C 0.5537(3) 0.5860(4) 0.5405(3) 0.0561(16) Uani 1 1 d . . . . .
H38A H 0.537360 0.598311 0.573308 0.084 Uiso 1 1 calc GR . . . .
H38B H 0.536410 0.541641 0.523327 0.084 Uiso 1 1 calc GR . . . .
H38C H 0.543450 0.622520 0.510335 0.084 Uiso 1 1 calc GR . . . .
C39 C 0.6638(3) 0.5556(4) 0.5030(3) 0.0566(16) Uani 1 1 d . . . . .
H39A H 0.666174 0.598197 0.480886 0.085 Uiso 1 1 calc GR . . . .
H39B H 0.635658 0.522995 0.477522 0.085 Uiso 1 1 calc GR . . . .
H39C H 0.703610 0.534166 0.516414 0.085 Uiso 1 1 calc GR . . . .
C40 C 0.6405(3) 0.6877(3) 0.6519(2) 0.0451(13) Uani 1 1 d . . . . .
H40A H 0.596686 0.682338 0.633974 0.054 Uiso 1 1 calc R . . . .
H40B H 0.651696 0.661112 0.689381 0.054 Uiso 1 1 calc R . . . .
C41 C 0.6557(3) 0.7650(3) 0.6647(2) 0.0476(14) Uani 1 1 d . . . . .
H41A H 0.698813 0.769899 0.685866 0.057 Uiso 1 1 calc R . . . .
H41B H 0.632014 0.783697 0.690273 0.057 Uiso 1 1 calc R . . . .
C42 C 0.6412(2) 0.8076(3) 0.6059(2) 0.0389(12) Uani 1 1 d . . . . .
C43 C 0.6556(4) 0.9586(4) 0.6570(4) 0.079(2) Uani 1 1 d . . . . .
H43A H 0.614091 0.970277 0.635465 0.118 Uiso 1 1 calc GR . . . .
H43B H 0.680487 1.000609 0.661973 0.118 Uiso 1 1 calc GR . . . .
H43C H 0.656591 0.939738 0.695877 0.118 Uiso 1 1 calc GR . . . .
C44 C 0.7656(3) 0.8826(4) 0.6579(3) 0.073(2) Uani 1 1 d . . . . .
H44A H 0.767660 0.861367 0.696190 0.109 Uiso 1 1 calc GR . . . .
H44B H 0.784453 0.928712 0.664131 0.109 Uiso 1 1 calc GR . . . .
H44C H 0.786782 0.853063 0.636409 0.109 Uiso 1 1 calc GR . . . .
C45 C 0.6865(3) 0.9293(4) 0.5418(3) 0.0615(18) Uani 1 1 d . . . . .
H45A H 0.693315 0.892067 0.515964 0.092 Uiso 1 1 calc GR . . . .
H45B H 0.718854 0.963705 0.547883 0.092 Uiso 1 1 calc GR . . . .
H45C H 0.647879 0.951818 0.523439 0.092 Uiso 1 1 calc GR . . . .
C46 C 0.5381(3) 0.9039(4) 0.5272(4) 0.078(2) Uani 1 1 d . . . . .
H46A H 0.555121 0.946616 0.547886 0.116 Uiso 1 1 calc GR . . . .
H46B H 0.494299 0.908390 0.512718 0.116 Uiso 1 1 calc GR . . . .
H46C H 0.554640 0.896162 0.493774 0.116 Uiso 1 1 calc GR . . . .
C47 C 0.5293(4) 0.8457(5) 0.6454(4) 0.087(3) Uani 1 1 d . . . . .
H47A H 0.525707 0.801779 0.665294 0.130 Uiso 1 1 calc GR . . . .
H47B H 0.489895 0.868236 0.632363 0.130 Uiso 1 1 calc GR . . . .
H47C H 0.557578 0.876463 0.672850 0.130 Uiso 1 1 calc GR . . . .
C48 C 0.5054(3) 0.7593(4) 0.5392(4) 0.0631(19) Uani 1 1 d . . . . .
H48A H 0.518211 0.743705 0.505066 0.095 Uiso 1 1 calc GR . . . .
H48B H 0.464652 0.778382 0.525728 0.095 Uiso 1 1 calc GR . . . .
H48C H 0.505798 0.719705 0.565544 0.095 Uiso 1 1 calc GR . . . .
C1 C 0.8674(2) 0.8396(3) 0.4380(2) 0.0356(11) Uani 1 1 d . . . . .
C2 C 0.8577(3) 0.9233(5) 0.5501(3) 0.075(2) Uani 1 1 d . . . . .
H2A H 0.853161 0.967302 0.528294 0.113 Uiso 1 1 calc GR . . . .
H2B H 0.878141 0.931872 0.591844 0.113 Uiso 1 1 calc GR . . . .
H2C H 0.817937 0.903218 0.546472 0.113 Uiso 1 1 calc GR . . . .
C3 C 0.9795(3) 0.9010(4) 0.5298(4) 0.075(2) Uani 1 1 d . . . . .
H3A H 1.007330 0.865296 0.523551 0.113 Uiso 1 1 calc GR . . . .
H3B H 0.994239 0.919549 0.569934 0.113 Uiso 1 1 calc GR . . . .
H3C H 0.976947 0.938852 0.501251 0.113 Uiso 1 1 calc GR . . . .
C4 C 0.9173(4) 0.7864(5) 0.5720(3) 0.078(3) Uani 1 1 d . . . . .
H4A H 0.899116 0.744135 0.551278 0.118 Uiso 1 1 calc GR . . . .
H4B H 0.899632 0.796206 0.604372 0.118 Uiso 1 1 calc GR . . . .
H4C H 0.960721 0.779513 0.588059 0.118 Uiso 1 1 calc GR . . . .
C5 C 0.8820(3) 0.9958(4) 0.4125(3) 0.065(2) Uani 1 1 d . . . . .
H5A H 0.888539 1.010712 0.453545 0.097 Uiso 1 1 calc GR . . . .
H5B H 0.864208 1.034105 0.385942 0.097 Uiso 1 1 calc GR . . . .
H5C H 0.920472 0.982531 0.406041 0.097 Uiso 1 1 calc GR . . . .
C6 C 0.7592(3) 0.9429(4) 0.4156(3) 0.0551(16) Uani 1 1 d . . . . .
H6A H 0.736280 0.900516 0.417668 0.083 Uiso 1 1 calc GR . . . .
H6B H 0.735012 0.973769 0.385007 0.083 Uiso 1 1 calc GR . . . .
H6C H 0.768987 0.966782 0.453846 0.083 Uiso 1 1 calc GR . . . .
C7 C 0.8093(3) 0.9108(4) 0.3153(3) 0.0575(17) Uani 1 1 d . . . . .
H7A H 0.844446 0.895588 0.303284 0.086 Uiso 1 1 calc GR . . . .
H7B H 0.795427 0.955890 0.297133 0.086 Uiso 1 1 calc GR . . . .
H7C H 0.777047 0.876342 0.302463 0.086 Uiso 1 1 calc GR . . . .
C8 C 0.9167(2) 0.8098(3) 0.4112(3) 0.0465(14) Uani 1 1 d . . . . .
H8A H 0.903141 0.814198 0.367649 0.056 Uiso 1 1 calc R . . . .
H8B H 0.954121 0.837250 0.425771 0.056 Uiso 1 1 calc R . . . .
C9 C 0.9296(2) 0.7335(3) 0.4279(3) 0.0492(15) Uani 1 1 d . . . . .
H9A H 0.947506 0.729582 0.471095 0.059 Uiso 1 1 calc R . . . .
H9B H 0.958794 0.714885 0.408163 0.059 Uiso 1 1 calc R . . . .
C10 C 0.8700(2) 0.6899(3) 0.4089(3) 0.0419(13) Uani 1 1 d . . . . .
C11 C 0.8009(3) 0.5655(4) 0.4464(3) 0.0583(17) Uani 1 1 d . . . . .
H11A H 0.773917 0.601255 0.454270 0.087 Uiso 1 1 calc GR . . . .
H11B H 0.805804 0.528205 0.475698 0.087 Uiso 1 1 calc GR . . . .
H11C H 0.783663 0.546309 0.406790 0.087 Uiso 1 1 calc GR . . . .
C12 C 0.9134(3) 0.6154(5) 0.5316(4) 0.091(3) Uani 1 1 d . . . . .
H12A H 0.952545 0.637897 0.537121 0.136 Uiso 1 1 calc GR . . . .
H12B H 0.919173 0.569478 0.550500 0.136 Uiso 1 1 calc GR . . . .
H12C H 0.888347 0.644187 0.549604 0.136 Uiso 1 1 calc GR . . . .
C13 C 0.9222(4) 0.5381(4) 0.4264(5) 0.092(3) Uani 1 1 d . . . . .
H13A H 0.900684 0.521650 0.386856 0.138 Uiso 1 1 calc GR . . . .
H13B H 0.929700 0.498832 0.454041 0.138 Uiso 1 1 calc GR . . . .
H13C H 0.960596 0.558784 0.425516 0.138 Uiso 1 1 calc GR . . . .
C14 C 0.9238(4) 0.6436(5) 0.3070(4) 0.087(3) Uani 1 1 d . . . . .
H14A H 0.946972 0.685659 0.304777 0.131 Uiso 1 1 calc GR . . . .
H14B H 0.913179 0.619848 0.268753 0.131 Uiso 1 1 calc GR . . . .
H14C H 0.947889 0.612424 0.337379 0.131 Uiso 1 1 calc GR . . . .
C15 C 0.7977(3) 0.5950(4) 0.3028(4) 0.075(2) Uani 1 1 d . . . . .
H15A H 0.813835 0.552795 0.324969 0.112 Uiso 1 1 calc GR . . . .
H15B H 0.790875 0.586369 0.260485 0.112 Uiso 1 1 calc GR . . . .
H15C H 0.759532 0.607416 0.310466 0.112 Uiso 1 1 calc GR . . . .
C16 C 0.8196(4) 0.7392(4) 0.2727(4) 0.074(2) Uani 1 1 d . . . . .
H16A H 0.782132 0.755557 0.279722 0.110 Uiso 1 1 calc GR . . . .
H16B H 0.811197 0.720952 0.232430 0.110 Uiso 1 1 calc GR . . . .
H16C H 0.848037 0.777967 0.277753 0.110 Uiso 1 1 calc GR . . . .
C17 C 0.5456(2) 0.8244(3) 0.2816(3) 0.0436(14) Uani 1 1 d . . . . .
C18 C 0.5823(3) 0.9368(4) 0.3819(3) 0.0650(19) Uani 1 1 d . . . . .
H18A H 0.606760 0.899913 0.405605 0.097 Uiso 1 1 calc GR . . . .
H18B H 0.565392 0.966173 0.407247 0.097 Uiso 1 1 calc GR . . . .
H18C H 0.607449 0.965337 0.363790 0.097 Uiso 1 1 calc GR . . . .
C19 C 0.4797(4) 0.9663(4) 0.2696(5) 0.092(3) Uani 1 1 d . . . . .
H19A H 0.506209 0.983485 0.246820 0.138 Uiso 1 1 calc GR . . . .
H19B H 0.468741 1.004873 0.291738 0.138 Uiso 1 1 calc GR . . . .
H19C H 0.443326 0.946465 0.242737 0.138 Uiso 1 1 calc GR . . . .
C20 C 0.4637(3) 0.8690(4) 0.3609(4) 0.077(2) Uani 1 1 d . . . . .
H20A H 0.429218 0.847883 0.332171 0.116 Uiso 1 1 calc GR . . . .
H20B H 0.450283 0.909545 0.379027 0.116 Uiso 1 1 calc GR . . . .
H20C H 0.481984 0.834893 0.391511 0.116 Uiso 1 1 calc GR . . . .
C24 C 0.4912(2) 0.7811(3) 0.2437(3) 0.0519(16) Uani 1 1 d . . . . .
H24A H 0.460950 0.775261 0.265805 0.062 Uiso 1 1 calc R . . . .
H24B H 0.471942 0.806412 0.206669 0.062 Uiso 1 1 calc R . . . .
C25 C 0.5119(3) 0.7099(3) 0.2290(2) 0.0444(14) Uani 1 1 d . . . . .
H25A H 0.539419 0.715508 0.203930 0.053 Uiso 1 1 calc R . . . .
H25B H 0.476728 0.682428 0.206576 0.053 Uiso 1 1 calc R . . . .
C26 C 0.5446(2) 0.6705(3) 0.2864(2) 0.0363(12) Uani 1 1 d . . . . .
C27 C 0.4542(3) 0.6875(4) 0.3664(4) 0.066(2) Uani 1 1 d . . . . .
H27A H 0.486414 0.706239 0.399147 0.099 Uiso 1 1 calc GR . . . .
H27B H 0.426061 0.660943 0.382133 0.099 Uiso 1 1 calc GR . . . .
H27C H 0.432875 0.726011 0.342121 0.099 Uiso 1 1 calc GR . . . .
C28 C 0.5171(3) 0.5544(4) 0.3705(3) 0.0568(17) Uani 1 1 d . . . . .
H28A H 0.528654 0.516712 0.347840 0.085 Uiso 1 1 calc GR . . . .
H28B H 0.486105 0.537683 0.388095 0.085 Uiso 1 1 calc GR . . . .
H28C H 0.552392 0.569500 0.401826 0.085 Uiso 1 1 calc GR . . . .
C29 C 0.4205(3) 0.5986(5) 0.2604(3) 0.074(2) Uani 1 1 d . . . . .
H29A H 0.400096 0.638682 0.237856 0.111 Uiso 1 1 calc GR . . . .
H29B H 0.392709 0.574038 0.278057 0.111 Uiso 1 1 calc GR . . . .
H29C H 0.433933 0.566920 0.234112 0.111 Uiso 1 1 calc GR . . . .
C30 C 0.6387(3) 0.6259(4) 0.2203(3) 0.0664(19) Uani 1 1 d . . . . .
H30A H 0.611468 0.644084 0.183750 0.100 Uiso 1 1 calc GR . . . .
H30B H 0.660736 0.585838 0.211180 0.100 Uiso 1 1 calc GR . . . .
H30C H 0.667214 0.662282 0.239261 0.100 Uiso 1 1 calc GR . . . .
C31 C 0.6495(3) 0.5659(3) 0.3389(3) 0.0527(15) Uani 1 1 d . . . . .
H31A H 0.670322 0.605429 0.362024 0.079 Uiso 1 1 calc GR . . . .
H31B H 0.678935 0.535729 0.328114 0.079 Uiso 1 1 calc GR . . . .
H31C H 0.628359 0.539343 0.362344 0.079 Uiso 1 1 calc GR . . . .
C32 C 0.5500(4) 0.5221(4) 0.2300(3) 0.070(2) Uani 1 1 d . . . . .
H32A H 0.533822 0.494955 0.257197 0.105 Uiso 1 1 calc GR . . . .
H32B H 0.576327 0.492489 0.214204 0.105 Uiso 1 1 calc GR . . . .
H32C H 0.516905 0.539406 0.197444 0.105 Uiso 1 1 calc GR . . . .
C21 C 0.6452(4) 0.8063(5) 0.2101(4) 0.077(2) Uani 1 1 d . . . . .
H21A H 0.674045 0.787964 0.245603 0.115 Uiso 1 1 calc GR . . . .
H21B H 0.666619 0.833330 0.187102 0.115 Uiso 1 1 calc GR . . . .
H21C H 0.624035 0.767475 0.186074 0.115 Uiso 1 1 calc GR . . . .
C22 C 0.5358(4) 0.8894(5) 0.1594(3) 0.094(3) Uani 1 1 d . . . . .
H22A H 0.515927 0.847784 0.138958 0.140 Uiso 1 1 calc GR . . . .
H22B H 0.557876 0.912706 0.134913 0.140 Uiso 1 1 calc GR . . . .
H22C H 0.505618 0.921252 0.166623 0.140 Uiso 1 1 calc GR . . . .
C23 C 0.6353(3) 0.9414(4) 0.2641(3) 0.067(2) Uani 1 1 d . . . . .
H23A H 0.608427 0.980434 0.265327 0.101 Uiso 1 1 calc GR . . . .
H23B H 0.661702 0.954019 0.239803 0.101 Uiso 1 1 calc GR . . . .
H23C H 0.659651 0.930596 0.304302 0.101 Uiso 1 1 calc GR . . . .
O1 O 0.7580(13) 1.1529(17) 0.4758(13) 0.0737(19) Uani 0.228(5) 1 d D U P A 1
O2 O 0.6970(12) 1.1893(12) 0.5632(13) 0.081(2) Uani 0.228(5) 1 d D U P A 1
O3 O 0.7609(11) 1.2841(14) 0.6552(13) 0.080(2) Uani 0.228(5) 1 d D U P A 1
O4 O 0.8355(13) 1.3798(17) 0.6237(11) 0.0732(19) Uani 0.228(5) 1 d D U P A 1
O6 O 0.838(2) 1.257(3) 0.455(3) 0.075(2) Uani 0.228(5) 1 d D U P A 1
O5 O 0.895(2) 1.339(2) 0.5413(18) 0.074(2) Uani 0.228(5) 1 d D U P A 1
C55 C 0.8945(15) 1.404(2) 0.6292(17) 0.087(3) Uani 0.228(5) 1 d D U P A 1
H55A H 0.924893 1.371578 0.652943 0.104 Uiso 0.228(5) 1 calc R . P A 1
H55B H 0.900895 1.450776 0.647853 0.104 Uiso 0.228(5) 1 calc R . P A 1
C49 C 0.6992(15) 1.129(2) 0.4694(19) 0.081(3) Uani 0.228(5) 1 d D U P A 1
H49A H 0.694012 1.082514 0.451131 0.097 Uiso 0.228(5) 1 calc R . P A 1
H49B H 0.670189 1.161319 0.443140 0.097 Uiso 0.228(5) 1 calc R . P A 1
C50 C 0.687(2) 1.1262(18) 0.5305(18) 0.090(3) Uani 0.228(5) 1 d D U P A 1
H50A H 0.644740 1.111867 0.524775 0.108 Uiso 0.228(5) 1 calc R . P A 1
H50B H 0.712907 1.089612 0.554270 0.108 Uiso 0.228(5) 1 calc R . P A 1
C51 C 0.695(2) 1.1757(18) 0.6215(15) 0.088(3) Uani 0.228(5) 1 d D U P A 1
H51A H 0.726504 1.142721 0.642026 0.105 Uiso 0.228(5) 1 calc R . P A 1
H51B H 0.655000 1.157313 0.622098 0.105 Uiso 0.228(5) 1 calc R . P A 1
C52 C 0.7057(15) 1.2488(18) 0.648(2) 0.088(3) Uani 0.228(5) 1 d D U P A 1
H52A H 0.673710 1.279272 0.624304 0.105 Uiso 0.228(5) 1 calc R . P A 1
H52B H 0.699169 1.246048 0.688087 0.105 Uiso 0.228(5) 1 calc R . P A 1
C53 C 0.7627(16) 1.3525(18) 0.675(2) 0.086(3) Uani 0.228(5) 1 d D U P A 1
H53A H 0.753165 1.354826 0.713333 0.103 Uiso 0.228(5) 1 calc R . P A 1
H53B H 0.733589 1.381810 0.646033 0.103 Uiso 0.228(5) 1 calc R . P A 1
C60 C 0.7672(19) 1.153(3) 0.4196(15) 0.080(3) Uani 0.228(5) 1 d D U P A 1
H60A H 0.732471 1.174916 0.390752 0.096 Uiso 0.228(5) 1 calc R . P A 1
H60B H 0.771136 1.104658 0.406679 0.096 Uiso 0.228(5) 1 calc R . P A 1
C59 C 0.8246(19) 1.194(2) 0.422(2) 0.077(3) Uani 0.228(5) 1 d D U P A 1
H59A H 0.858868 1.162129 0.438209 0.093 Uiso 0.228(5) 1 calc R . P A 1
H59B H 0.824091 1.204809 0.381154 0.093 Uiso 0.228(5) 1 calc R . P A 1
C58 C 0.900(2) 1.267(2) 0.465(3) 0.076(3) Uani 0.228(5) 1 d D U P A 1
H58A H 0.912563 1.260483 0.428031 0.091 Uiso 0.228(5) 1 calc R . P A 1
H58B H 0.924019 1.234749 0.495513 0.091 Uiso 0.228(5) 1 calc R . P A 1
C57 C 0.907(2) 1.343(2) 0.4856(19) 0.076(3) Uani 0.228(5) 1 d D U P A 1
H57A H 0.947739 1.360282 0.489433 0.092 Uiso 0.228(5) 1 calc R . P A 1
H57B H 0.877254 1.372770 0.457935 0.092 Uiso 0.228(5) 1 calc R . P A 1
C56 C 0.898(2) 1.407(2) 0.5645(17) 0.086(3) Uani 0.228(5) 1 d D U P A 1
H56A H 0.863696 1.435286 0.540453 0.103 Uiso 0.228(5) 1 calc R . P A 1
H56B H 0.935553 1.429951 0.563061 0.103 Uiso 0.228(5) 1 calc R . P A 1
C54 C 0.8275(15) 1.377(3) 0.6816(12) 0.088(3) Uani 0.228(5) 1 d D U P A 1
H54A H 0.834204 1.423502 0.700361 0.106 Uiso 0.228(5) 1 calc R . P A 1
H54B H 0.856529 1.343918 0.706603 0.106 Uiso 0.228(5) 1 calc R . P A 1
O7 O 0.8629(8) 1.1652(10) 0.6045(9) 0.133(2) Uani 0.512(12) 1 d D U P A 1
C61 C 0.9219(10) 1.1519(16) 0.6070(10) 0.137(3) Uani 0.512(12) 1 d D U P A 1
H61A H 0.939995 1.190032 0.589446 0.164 Uiso 0.512(12) 1 calc R U P A 1
H61B H 0.926582 1.107190 0.587843 0.164 Uiso 0.512(12) 1 calc R U P A 1
C64 C 0.8468(9) 1.1045(14) 0.6294(12) 0.139(3) Uani 0.512(12) 1 d D U P A 1
H64A H 0.841669 1.064744 0.601741 0.167 Uiso 0.512(12) 1 calc R U P A 1
H64B H 0.809225 1.111283 0.640860 0.167 Uiso 0.512(12) 1 calc R U P A 1
C63 C 0.8996(10) 1.0937(15) 0.6826(11) 0.141(3) Uani 0.512(12) 1 d D U P A 1
H63A H 0.915347 1.045700 0.683195 0.169 Uiso 0.512(12) 1 calc R U P A 1
H63B H 0.887901 1.101608 0.719350 0.169 Uiso 0.512(12) 1 calc R U P A 1
C62 C 0.9486(11) 1.1485(15) 0.6770(10) 0.142(3) Uani 0.512(12) 1 d D U P A 1
H62A H 0.990117 1.130030 0.689927 0.171 Uiso 0.512(12) 1 calc R U P A 1
H62B H 0.945800 1.193277 0.696829 0.171 Uiso 0.512(12) 1 calc R U P A 1
O8 O 0.7041(3) 1.3371(4) 0.4593(4) 0.115(3) Uani 1 1 d . . . . .
C67 C 0.6105(6) 1.3528(9) 0.3948(8) 0.161(7) Uani 1 1 d . . . . .
H67A H 0.585141 1.394954 0.390700 0.194 Uiso 1 1 calc R . . . .
H67B H 0.584212 1.312618 0.378894 0.194 Uiso 1 1 calc R . . . .
C66 C 0.6551(7) 1.3617(6) 0.3619(6) 0.132(5) Uani 1 1 d . . . . .
H66A H 0.645277 1.402029 0.334748 0.158 Uiso 1 1 calc R . . . .
H66B H 0.658395 1.319319 0.339060 0.158 Uiso 1 1 calc R . . . .
C65 C 0.7119(5) 1.3742(6) 0.4113(6) 0.116(4) Uani 1 1 d . . . . .
H65A H 0.747498 1.357135 0.400222 0.140 Uiso 1 1 calc R . . . .
H65B H 0.717110 1.424461 0.420704 0.140 Uiso 1 1 calc R . . . .
C68 C 0.6415(5) 1.3410(6) 0.4566(7) 0.121(4) Uani 1 1 d . . . . .
H68A H 0.634000 1.379864 0.481257 0.145 Uiso 1 1 calc R . . . .
H68B H 0.627845 1.297049 0.470644 0.145 Uiso 1 1 calc R . . . .
K1 K 0.78571(7) 1.26010(8) 0.54012(7) 0.0575(3) Uani 1 1 d D . . . .
O7A O 0.8685(9) 1.1814(11) 0.6201(9) 0.133(2) Uani 0.488(12) 1 d D U P A 2
C61A C 0.9316(10) 1.1930(13) 0.6368(14) 0.137(3) Uani 0.488(12) 1 d D U P A 2
H61C H 0.944249 1.227507 0.669123 0.164 Uiso 0.488(12) 1 calc R . P A 2
H61D H 0.946174 1.207603 0.602968 0.164 Uiso 0.488(12) 1 calc R . P A 2
C62A C 0.9521(12) 1.1175(14) 0.6579(13) 0.142(3) Uani 0.488(12) 1 d D U P A 2
H62C H 0.996243 1.110918 0.670618 0.171 Uiso 0.488(12) 1 calc R . P A 2
H62D H 0.931899 1.080459 0.630323 0.171 Uiso 0.488(12) 1 calc R . P A 2
C63A C 0.9232(11) 1.1320(17) 0.7103(10) 0.141(3) Uani 0.488(12) 1 d D U P A 2
H63C H 0.924468 1.090748 0.735758 0.169 Uiso 0.488(12) 1 calc R . P A 2
H63D H 0.941422 1.172632 0.734631 0.169 Uiso 0.488(12) 1 calc R . P A 2
C64A C 0.8610(10) 1.1470(17) 0.6714(12) 0.139(3) Uani 0.488(12) 1 d D U P A 2
H64C H 0.838144 1.103175 0.660213 0.167 Uiso 0.488(12) 1 calc R . P A 2
H64D H 0.838898 1.177267 0.692196 0.167 Uiso 0.488(12) 1 calc R . P A 2
C60A C 0.7860(5) 1.1759(7) 0.4016(5) 0.080(3) Uani 0.772(5) 1 d D . P A 2
H60C H 0.764146 1.215538 0.378428 0.096 Uiso 0.772(5) 1 calc R . P A 2
H60D H 0.783391 1.135693 0.374730 0.096 Uiso 0.772(5) 1 calc R . P A 2
C59A C 0.8512(5) 1.1954(7) 0.4292(6) 0.077(3) Uani 0.772(5) 1 d D . P A 2
H59C H 0.871263 1.160015 0.458641 0.093 Uiso 0.772(5) 1 calc R . P A 2
H59D H 0.872840 1.198402 0.398521 0.093 Uiso 0.772(5) 1 calc R . P A 2
O6A O 0.8510(5) 1.2605(9) 0.4565(9) 0.075(2) Uani 0.772(5) 1 d D . P A 2
C58A C 0.9082(5) 1.2905(7) 0.4775(7) 0.076(3) Uani 0.772(5) 1 d D . P A 2
H58C H 0.925230 1.298948 0.444056 0.091 Uiso 0.772(5) 1 calc R . P A 2
H58D H 0.935128 1.257887 0.505169 0.091 Uiso 0.772(5) 1 calc R . P A 2
C57A C 0.9047(6) 1.3572(6) 0.5082(6) 0.076(3) Uani 0.772(5) 1 d D . P A 2
H57C H 0.944147 1.380978 0.517688 0.092 Uiso 0.772(5) 1 calc R . P A 2
H57D H 0.874580 1.388051 0.481895 0.092 Uiso 0.772(5) 1 calc R . P A 2
O5A O 0.8887(6) 1.3450(6) 0.5596(4) 0.074(2) Uani 0.772(5) 1 d D . P A 2
C56A C 0.8837(6) 1.4055(6) 0.5915(6) 0.086(3) Uani 0.772(5) 1 d D . P A 2
H56C H 0.853689 1.437290 0.566172 0.103 Uiso 0.772(5) 1 calc R . P A 2
H56D H 0.922819 1.429993 0.603276 0.103 Uiso 0.772(5) 1 calc R . P A 2
C55A C 0.8645(6) 1.3870(7) 0.6464(5) 0.087(3) Uani 0.772(5) 1 d D . P A 2
H55C H 0.893325 1.353501 0.670996 0.104 Uiso 0.772(5) 1 calc R . P A 2
H55D H 0.864172 1.429410 0.670209 0.104 Uiso 0.772(5) 1 calc R . P A 2
O4A O 0.8064(3) 1.3573(4) 0.6290(3) 0.0732(19) Uani 0.772(5) 1 d D . P A 2
C54A C 0.7874(5) 1.3367(8) 0.6776(5) 0.088(3) Uani 0.772(5) 1 d D . P A 2
H54C H 0.787554 1.377405 0.703444 0.106 Uiso 0.772(5) 1 calc R . P A 2
H54D H 0.815521 1.301557 0.700752 0.106 Uiso 0.772(5) 1 calc R . P A 2
C53A C 0.7248(5) 1.3063(7) 0.6577(5) 0.086(3) Uani 0.772(5) 1 d D . P A 2
H53C H 0.710032 1.296094 0.692406 0.103 Uiso 0.772(5) 1 calc R . P A 2
H53D H 0.696910 1.339898 0.632169 0.103 Uiso 0.772(5) 1 calc R . P A 2
O3A O 0.7271(3) 1.2443(4) 0.6261(4) 0.080(2) Uani 0.772(5) 1 d D . P A 2
C52A C 0.6709(5) 1.2116(7) 0.6093(6) 0.088(3) Uani 0.772(5) 1 d D . P A 2
H52C H 0.640383 1.244499 0.586259 0.105 Uiso 0.772(5) 1 calc R . P A 2
H52D H 0.659056 1.197954 0.644957 0.105 Uiso 0.772(5) 1 calc R . P A 2
C51A C 0.6730(5) 1.1477(6) 0.5724(6) 0.088(3) Uani 0.772(5) 1 d D . P A 2
H51C H 0.705882 1.116408 0.593698 0.105 Uiso 0.772(5) 1 calc R . P A 2
H51D H 0.634578 1.121817 0.564467 0.105 Uiso 0.772(5) 1 calc R . P A 2
O2A O 0.6828(3) 1.1702(4) 0.5188(4) 0.081(2) Uani 0.772(5) 1 d D . P A 2
C50A C 0.6775(6) 1.1156(6) 0.4775(6) 0.090(3) Uani 0.772(5) 1 d D . P A 2
H50C H 0.634993 1.100806 0.462890 0.108 Uiso 0.772(5) 1 calc R . P A 2
H50D H 0.701662 1.075165 0.496532 0.108 Uiso 0.772(5) 1 calc R . P A 2
C49A C 0.6997(5) 1.1411(6) 0.4260(6) 0.081(3) Uani 0.772(5) 1 d D . P A 2
H49C H 0.694379 1.104064 0.395764 0.097 Uiso 0.772(5) 1 calc R . P A 2
H49D H 0.676144 1.182296 0.407428 0.097 Uiso 0.772(5) 1 calc R . P A 2
O1A O 0.7606(3) 1.1587(4) 0.4473(4) 0.0737(19) Uani 0.772(5) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.8554(3) . ?
Au1 Au3 2.8461(3) . ?
Au1 Ge3 2.4717(5) . ?
Au1 Ge2 2.4731(6) . ?
Au2 Au3 2.8480(3) . ?
Au2 Ge3 2.4956(6) . ?
Au2 Ge1 2.4969(6) . ?
Au3 Ge1 2.4630(5) . ?
Au3 Ge2 2.4681(5) . ?
Ge3 C33 2.038(5) . ?
Ge3 C42 2.058(6) . ?
Ge1 C1 2.027(5) . ?
Ge1 C10 2.043(6) . ?
Ge2 C17 2.033(5) . ?
Ge2 C26 2.027(5) . ?
Si9 C33 1.905(5) . ?
Si9 C34 1.856(7) . ?
Si9 C35 1.895(8) . ?
Si9 C36 1.883(8) . ?
Si10 C33 1.903(6) . ?
Si10 C37 1.884(7) . ?
Si10 C38 1.860(6) . ?
Si10 C39 1.864(7) . ?
Si11 C42 1.893(6) . ?
Si11 C43 1.884(8) . ?
Si11 C44 1.862(7) . ?
Si11 C45 1.861(8) . ?
Si12 C42 1.900(6) . ?
Si12 C46 1.888(8) . ?
Si12 C47 1.879(8) . ?
Si12 C48 1.859(7) . ?
Si1 C1 1.908(5) . ?
Si1 C2 1.860(8) . ?
Si1 C3 1.884(6) . ?
Si1 C4 1.874(8) . ?
Si2 C1 1.886(6) . ?
Si2 C5 1.869(6) . ?
Si2 C6 1.866(7) . ?
Si2 C7 1.865(7) . ?
Si3 C10 1.892(6) . ?
Si3 C11 1.869(6) . ?
Si3 C12 1.868(9) . ?
Si3 C13 1.875(8) . ?
Si4 C10 1.913(6) . ?
Si4 C14 1.891(8) . ?
Si4 C15 1.883(7) . ?
Si4 C16 1.873(9) . ?
Si5 C17 1.887(7) . ?
Si5 C18 1.868(7) . ?
Si5 C19 1.886(7) . ?
Si5 C20 1.859(8) . ?
Si7 C26 1.906(5) . ?
Si7 C27 1.864(8) . ?
Si7 C28 1.870(6) . ?
Si7 C29 1.874(6) . ?
Si8 C26 1.909(6) . ?
Si8 C30 1.850(7) . ?
Si8 C31 1.856(7) . ?
Si8 C32 1.893(6) . ?
Si6 C17 1.914(6) . ?
Si6 C21 1.869(9) . ?
Si6 C22 1.879(7) . ?
Si6 C23 1.867(7) . ?
C33 C40 1.549(8) . ?
C40 C41 1.537(9) . ?
C41 C42 1.563(8) . ?
C1 C8 1.564(8) . ?
C8 C9 1.525(9) . ?
C9 C10 1.569(7) . ?
C17 C24 1.567(7) . ?
C24 C25 1.521(10) . ?
C25 C26 1.552(7) . ?
O1 C49 1.402(19) . ?
O1 C60 1.402(19) . ?
O1 K1 2.53(3) . ?
O2 C50 1.420(19) . ?
O2 C51 1.416(19) . ?
O2 K1 2.64(2) . ?
O3 C52 1.416(19) . ?
O3 C53 1.392(19) . ?
O3 K1 2.97(3) . ?
O4 C55 1.416(19) . ?
O4 C54 1.430(19) . ?
O4 K1 3.04(3) . ?
O6 C59 1.42(2) . ?
O6 C58 1.42(2) . ?
O6 K1 2.62(7) . ?
O5 C57 1.418(19) . ?
O5 C56 1.41(2) . ?
O5 K1 2.95(5) . ?
C55 C56 1.55(2) . ?
C49 C50 1.55(2) . ?
C49 K1 3.35(4) . ?
C50 K1 3.41(3) . ?
C51 C52 1.53(2) . ?
C53 C54 1.54(2) . ?
C60 C59 1.53(2) . ?
C60 K1 3.44(4) . ?
C59 K1 3.40(4) . ?
C58 C57 1.53(2) . ?
O7 C61 1.377(17) . ?
O7 C64 1.402(17) . ?
O7 K1 2.704(12) . ?
C61 C62 1.596(18) . ?
C64 C63 1.504(17) . ?
C63 C62 1.580(18) . ?
O8 C65 1.390(14) . ?
O8 C68 1.437(13) . ?
O8 K1 2.719(7) . ?
C67 C66 1.47(2) . ?
C67 C68 1.451(19) . ?
C66 C65 1.515(17) . ?
K1 O7A 2.739(12) . ?
K1 O6A 2.804(17) . ?
K1 O5A 2.820(12) . ?
K1 O4A 2.747(8) . ?
K1 O3A 2.757(7) . ?
K1 O2A 2.872(7) . ?
K1 O1A 2.866(8) . ?
O7A C61A 1.424(17) . ?
O7A C64A 1.431(17) . ?
C61A C62A 1.563(18) . ?
C62A C63A 1.588(18) . ?
C63A C64A 1.505(18) . ?
C60A C59A 1.515(13) . ?
C60A O1A 1.405(12) . ?
C59A O6A 1.408(12) . ?
O6A C58A 1.401(11) . ?
C58A C57A 1.485(13) . ?
C57A O5A 1.385(12) . ?
O5A C56A 1.408(12) . ?
C56A C55A 1.525(14) . ?
C55A O4A 1.414(12) . ?
O4A C54A 1.396(12) . ?
C54A C53A 1.513(13) . ?
C53A O3A 1.414(12) . ?
O3A C52A 1.399(12) . ?
C52A C51A 1.513(14) . ?
C51A O2A 1.415(12) . ?
O2A C50A 1.414(12) . ?
C50A C49A 1.527(14) . ?
C49A O1A 1.402(11) . ?

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
Au3 Au1 Au2 59.935(7) . . ?
Ge3 Au1 Au2 55.304(14) . . ?
Ge3 Au1 Au3 115.237(15) . . ?
Ge3 Au1 Ge2 169.99(2) . . ?
Ge2 Au1 Au2 114.682(15) . . ?
Ge2 Au1 Au3 54.748(13) . . ?
Au3 Au2 Au1 59.870(7) . . ?
Ge3 Au2 Au1 54.521(13) . . ?
Ge3 Au2 Au3 114.390(14) . . ?
Ge3 Au2 Ge1 168.790(19) . . ?
Ge1 Au2 Au1 114.271(14) . . ?
Ge1 Au2 Au3 54.401(13) . . ?
Au1 Au3 Au2 60.195(7) . . ?
Ge1 Au3 Au1 115.710(16) . . ?
Ge1 Au3 Au2 55.516(15) . . ?
Ge1 Au3 Ge2 170.61(2) . . ?
Ge2 Au3 Au1 54.913(14) . . ?
Ge2 Au3 Au2 115.107(15) . . ?
Au1 Ge3 Au2 70.176(16) . . ?
C33 Ge3 Au1 129.34(15) . . ?
C33 Ge3 Au2 117.95(16) . . ?
C33 Ge3 C42 92.9(2) . . ?
C42 Ge3 Au1 119.03(15) . . ?
C42 Ge3 Au2 131.76(16) . . ?
Au3 Ge1 Au2 70.083(16) . . ?
C1 Ge1 Au2 117.55(16) . . ?
C1 Ge1 Au3 127.61(15) . . ?
C1 Ge1 C10 93.3(2) . . ?
C10 Ge1 Au2 130.99(17) . . ?
C10 Ge1 Au3 121.11(15) . . ?
Au3 Ge2 Au1 70.339(15) . . ?
C17 Ge2 Au1 128.72(19) . . ?
C17 Ge2 Au3 121.09(15) . . ?
C26 Ge2 Au1 120.52(15) . . ?
C26 Ge2 Au3 126.11(16) . . ?
C26 Ge2 C17 93.5(2) . . ?
C34 Si9 C33 117.5(3) . . ?
C34 Si9 C35 103.1(4) . . ?
C34 Si9 C36 103.9(4) . . ?
C35 Si9 C33 109.4(4) . . ?
C36 Si9 C33 113.3(3) . . ?
C36 Si9 C35 108.9(5) . . ?
C37 Si10 C33 112.0(3) . . ?
C38 Si10 C33 113.2(3) . . ?
C38 Si10 C37 104.0(3) . . ?
C38 Si10 C39 106.4(3) . . ?
C39 Si10 C33 113.1(3) . . ?
C39 Si10 C37 107.5(4) . . ?
C43 Si11 C42 111.6(3) . . ?
C44 Si11 C42 114.0(3) . . ?
C44 Si11 C43 103.0(4) . . ?
C45 Si11 C42 112.4(3) . . ?
C45 Si11 C43 109.1(4) . . ?
C45 Si11 C44 106.1(4) . . ?
C46 Si12 C42 114.1(3) . . ?
C47 Si12 C42 109.2(3) . . ?
C47 Si12 C46 108.8(5) . . ?
C48 Si12 C42 118.9(3) . . ?
C48 Si12 C46 102.0(4) . . ?
C48 Si12 C47 103.0(4) . . ?
C2 Si1 C1 113.7(3) . . ?
C2 Si1 C3 107.8(4) . . ?
C2 Si1 C4 104.2(4) . . ?
C3 Si1 C1 110.3(3) . . ?
C4 Si1 C1 116.4(3) . . ?
C4 Si1 C3 103.7(4) . . ?
C5 Si2 C1 111.0(3) . . ?
C6 Si2 C1 112.8(3) . . ?
C6 Si2 C5 109.1(4) . . ?
C7 Si2 C1 113.9(3) . . ?
C7 Si2 C5 103.5(3) . . ?
C7 Si2 C6 105.9(3) . . ?
C11 Si3 C10 113.2(3) . . ?
C11 Si3 C13 107.8(4) . . ?
C12 Si3 C10 112.9(3) . . ?
C12 Si3 C11 105.4(4) . . ?
C12 Si3 C13 104.0(5) . . ?
C13 Si3 C10 112.9(4) . . ?
C14 Si4 C10 110.7(4) . . ?
C15 Si4 C10 113.4(3) . . ?
C15 Si4 C14 107.5(4) . . ?
C16 Si4 C10 117.6(3) . . ?
C16 Si4 C14 103.7(4) . . ?
C16 Si4 C15 102.9(4) . . ?
C18 Si5 C17 113.5(3) . . ?
C18 Si5 C19 110.1(4) . . ?
C19 Si5 C17 110.3(4) . . ?
C20 Si5 C17 113.5(3) . . ?
C20 Si5 C18 105.0(4) . . ?
C20 Si5 C19 104.0(4) . . ?
C27 Si7 C26 116.4(3) . . ?
C27 Si7 C28 103.5(4) . . ?
C27 Si7 C29 104.1(4) . . ?
C28 Si7 C26 113.9(3) . . ?
C28 Si7 C29 108.4(3) . . ?
C29 Si7 C26 109.8(3) . . ?
C30 Si8 C26 113.1(3) . . ?
C30 Si8 C31 106.5(3) . . ?
C30 Si8 C32 102.4(3) . . ?
C31 Si8 C26 112.6(3) . . ?
C31 Si8 C32 109.0(4) . . ?
C32 Si8 C26 112.6(3) . . ?
C21 Si6 C17 117.7(3) . . ?
C21 Si6 C22 103.9(5) . . ?
C22 Si6 C17 109.2(3) . . ?
C23 Si6 C17 113.6(3) . . ?
C23 Si6 C21 103.2(4) . . ?
C23 Si6 C22 108.4(4) . . ?
Si9 C33 Ge3 112.9(3) . . ?
Si10 C33 Ge3 110.2(2) . . ?
Si10 C33 Si9 109.5(3) . . ?
C40 C33 Ge3 101.7(4) . . ?
C40 C33 Si9 110.0(4) . . ?
C40 C33 Si10 112.4(4) . . ?
C41 C40 C33 110.5(5) . . ?
C40 C41 C42 110.6(4) . . ?
Si11 C42 Ge3 110.8(3) . . ?
Si11 C42 Si12 109.5(3) . . ?
Si12 C42 Ge3 113.5(2) . . ?
C41 C42 Ge3 100.6(4) . . ?
C41 C42 Si11 112.2(4) . . ?
C41 C42 Si12 109.9(4) . . ?
Si1 C1 Ge1 111.6(3) . . ?
Si2 C1 Ge1 112.4(2) . . ?
Si2 C1 Si1 109.9(3) . . ?
C8 C1 Ge1 101.5(3) . . ?
C8 C1 Si1 109.2(3) . . ?
C8 C1 Si2 112.0(4) . . ?
C9 C8 C1 111.0(5) . . ?
C8 C9 C10 110.3(4) . . ?
Si3 C10 Ge1 112.4(3) . . ?
Si3 C10 Si4 108.2(3) . . ?
Si4 C10 Ge1 113.7(3) . . ?
C9 C10 Ge1 101.1(4) . . ?
C9 C10 Si3 112.5(4) . . ?
C9 C10 Si4 108.8(4) . . ?
Si5 C17 Ge2 113.3(3) . . ?
Si5 C17 Si6 109.0(3) . . ?
Si6 C17 Ge2 112.3(3) . . ?
C24 C17 Ge2 100.4(4) . . ?
C24 C17 Si5 111.6(4) . . ?
C24 C17 Si6 109.9(4) . . ?
C25 C24 C17 110.7(5) . . ?
C24 C25 C26 110.3(5) . . ?
Si7 C26 Ge2 113.8(3) . . ?
Si7 C26 Si8 108.3(3) . . ?
Si8 C26 Ge2 112.5(2) . . ?
C25 C26 Ge2 101.1(3) . . ?
C25 C26 Si7 109.9(3) . . ?
C25 C26 Si8 111.1(4) . . ?
C49 O1 C60 107(3) . . ?
C49 O1 K1 114(2) . . ?
C60 O1 K1 119(3) . . ?
C50 O2 K1 110(2) . . ?
C51 O2 C50 109(3) . . ?
C51 O2 K1 122(2) . . ?
C52 O3 K1 103(2) . . ?
C53 O3 C52 116(3) . . ?
C53 O3 K1 117(2) . . ?
C55 O4 C54 108(3) . . ?
C55 O4 K1 119(2) . . ?
C54 O4 K1 118(2) . . ?
C59 O6 C58 105(4) . . ?
C59 O6 K1 111(4) . . ?
C58 O6 K1 123(5) . . ?
C57 O5 K1 114(3) . . ?
C56 O5 C57 109(4) . . ?
C56 O5 K1 115(3) . . ?
O4 C55 C56 103(3) . . ?
O1 C49 C50 110(3) . . ?
O1 C49 K1 43.7(17) . . ?
C50 C49 K1 79(2) . . ?
O2 C50 C49 115(3) . . ?
O2 C50 K1 46.7(16) . . ?
C49 C50 K1 74.8(19) . . ?
O2 C51 C52 101(3) . . ?
O3 C52 C51 122(3) . . ?
O3 C53 C54 105(3) . . ?
O1 C60 C59 109(3) . . ?
O1 C60 K1 40(2) . . ?
C59 C60 K1 76(2) . . ?
O6 C59 C60 121(4) . . ?
O6 C59 K1 46(3) . . ?
C60 C59 K1 78(2) . . ?
O6 C58 C57 100(4) . . ?
O5 C57 C58 103(4) . . ?
O5 C56 C55 110(3) . . ?
O4 C54 C53 107(3) . . ?
C61 O7 C64 101.9(15) . . ?
C61 O7 K1 130.0(15) . . ?
C64 O7 K1 125.7(14) . . ?
O7 C61 C62 98.3(16) . . ?
O7 C64 C63 102.3(14) . . ?
C64 C63 C62 106.0(14) . . ?
C63 C62 C61 92.0(14) . . ?
C65 O8 C68 107.3(9) . . ?
C65 O8 K1 128.8(7) . . ?
C68 O8 K1 123.7(7) . . ?
C68 C67 C66 109.2(12) . . ?
C67 C66 C65 101.5(12) . . ?
O8 C65 C66 105.3(10) . . ?
O8 C68 C67 105.1(12) . . ?
O1 K1 O2 67.9(8) . . ?
O1 K1 O6 67.4(12) . . ?
O1 K1 O7 78.8(9) . . ?
O1 K1 O8 90.7(7) . . ?
O2 K1 O7 88.2(8) . . ?
O2 K1 O8 89.8(6) . . ?
O6 K1 O2 134.2(12) . . ?
O6 K1 O7 92.4(16) . . ?
O6 K1 O8 81.5(15) . . ?
O7 K1 O8 169.3(5) . . ?
O8 K1 O7A 179.1(6) . . ?
O8 K1 O6A 84.9(4) . . ?
O8 K1 O5A 101.0(3) . . ?
O8 K1 O4A 96.0(3) . . ?
O8 K1 O3A 100.8(2) . . ?
O8 K1 O2A 79.8(2) . . ?
O8 K1 O1A 83.1(3) . . ?
O7A K1 O6A 94.3(7) . . ?
O7A K1 O5A 79.0(6) . . ?
O7A K1 O4A 84.8(5) . . ?
O7A K1 O3A 80.0(5) . . ?
O7A K1 O2A 100.2(5) . . ?
O7A K1 O1A 96.1(6) . . ?
O6A K1 O5A 60.9(3) . . ?
O6A K1 O2A 117.7(3) . . ?
O6A K1 O1A 59.9(3) . . ?
O5A K1 O2A 178.2(3) . . ?
O5A K1 O1A 119.9(2) . . ?
O4A K1 O6A 121.5(3) . . ?
O4A K1 O5A 61.6(3) . . ?
O4A K1 O3A 62.0(3) . . ?
O4A K1 O2A 120.1(3) . . ?
O4A K1 O1A 178.4(2) . . ?
O3A K1 O6A 173.2(4) . . ?
O3A K1 O5A 120.9(3) . . ?
O3A K1 O2A 60.4(2) . . ?
O3A K1 O1A 116.8(3) . . ?
O1A K1 O2A 58.5(2) . . ?
C61A O7A K1 124.9(14) . . ?
C61A O7A C64A 101.4(16) . . ?
C64A O7A K1 127.6(14) . . ?
O7A C61A C62A 98.1(16) . . ?
C61A C62A C63A 85.9(16) . . ?
C64A C63A C62A 95.7(16) . . ?
O7A C64A C63A 106.4(16) . . ?
O1A C60A C59A 108.1(9) . . ?
O6A C59A C60A 106.6(9) . . ?
C59A O6A K1 113.0(10) . . ?
C58A O6A K1 113.3(11) . . ?
C58A O6A C59A 113.8(9) . . ?
O6A C58A C57A 110.6(11) . . ?
O5A C57A C58A 110.2(11) . . ?
C57A O5A K1 112.1(8) . . ?
C57A O5A C56A 114.3(10) . . ?
C56A O5A K1 111.8(8) . . ?
O5A C56A C55A 110.4(10) . . ?
O4A C55A C56A 109.1(10) . . ?
C55A O4A K1 116.5(7) . . ?
C54A O4A K1 114.0(7) . . ?
C54A O4A C55A 111.7(8) . . ?
O4A C54A C53A 110.5(9) . . ?
O3A C53A C54A 108.3(9) . . ?
C53A O3A K1 113.2(6) . . ?
C52A O3A K1 116.9(7) . . ?
C52A O3A C53A 110.9(8) . . ?
O3A C52A C51A 110.5(9) . . ?
O2A C51A C52A 107.7(9) . . ?
C51A O2A K1 111.2(7) . . ?
C50A O2A K1 118.3(6) . . ?
C50A O2A C51A 112.7(9) . . ?
O2A C50A C49A 109.1(9) . . ?
O1A C49A C50A 108.8(10) . . ?
C60A O1A K1 112.8(7) . . ?
C49A O1A K1 114.0(6) . . ?
C49A O1A C60A 112.2(9) . . ?

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
Ge3 C33 C40 C41 -39.4(5) . . . . ?
Ge1 C1 C8 C9 -38.7(5) . . . . ?
Ge2 C17 C24 C25 -39.3(5) . . . . ?
Si9 C33 C40 C41 80.5(5) . . . . ?
Si10 C33 C40 C41 -157.2(4) . . . . ?
Si1 C1 C8 C9 79.3(5) . . . . ?
Si2 C1 C8 C9 -158.7(4) . . . . ?
Si5 C17 C24 C25 -159.7(4) . . . . ?
Si6 C17 C24 C25 79.2(5) . . . . ?
C33 C40 C41 C42 56.5(6) . . . . ?
C40 C41 C42 Ge3 -39.4(5) . . . . ?
C40 C41 C42 Si11 -157.2(4) . . . . ?
C40 C41 C42 Si12 80.6(5) . . . . ?
C43 Si11 C42 Ge3 174.4(4) . . . . ?
C43 Si11 C42 Si12 48.5(4) . . . . ?
C43 Si11 C42 C41 -74.0(5) . . . . ?
C44 Si11 C42 Ge3 -69.4(4) . . . . ?
C44 Si11 C42 Si12 164.7(4) . . . . ?
C44 Si11 C42 C41 42.2(6) . . . . ?
C45 Si11 C42 Ge3 51.4(4) . . . . ?
C45 Si11 C42 Si12 -74.5(4) . . . . ?
C45 Si11 C42 C41 163.1(4) . . . . ?
C46 Si12 C42 Ge3 -89.4(4) . . . . ?
C46 Si12 C42 Si11 35.0(5) . . . . ?
C46 Si12 C42 C41 158.8(5) . . . . ?
C47 Si12 C42 Ge3 148.7(4) . . . . ?
C47 Si12 C42 Si11 -86.9(4) . . . . ?
C47 Si12 C42 C41 36.9(5) . . . . ?
C48 Si12 C42 Ge3 31.0(5) . . . . ?
C48 Si12 C42 Si11 155.4(3) . . . . ?
C48 Si12 C42 C41 -80.8(5) . . . . ?
C1 C8 C9 C10 55.3(7) . . . . ?
C5 Si2 C1 Ge1 175.1(3) . . . . ?
C5 Si2 C1 Si1 50.2(4) . . . . ?
C5 Si2 C1 C8 -71.4(5) . . . . ?
C6 Si2 C1 Ge1 52.3(4) . . . . ?
C6 Si2 C1 Si1 -72.7(3) . . . . ?
C6 Si2 C1 C8 165.7(4) . . . . ?
C7 Si2 C1 Ge1 -68.5(4) . . . . ?
C7 Si2 C1 Si1 166.6(3) . . . . ?
C7 Si2 C1 C8 45.0(4) . . . . ?
C8 C9 C10 Ge1 -38.9(6) . . . . ?
C8 C9 C10 Si3 -159.0(5) . . . . ?
C8 C9 C10 Si4 81.1(6) . . . . ?
C11 Si3 C10 Ge1 49.5(4) . . . . ?
C11 Si3 C10 Si4 -76.9(4) . . . . ?
C11 Si3 C10 C9 162.9(5) . . . . ?
C12 Si3 C10 Ge1 -70.1(4) . . . . ?
C12 Si3 C10 Si4 163.4(4) . . . . ?
C12 Si3 C10 C9 43.2(6) . . . . ?
C13 Si3 C10 Ge1 172.3(4) . . . . ?
C13 Si3 C10 Si4 45.9(4) . . . . ?
C13 Si3 C10 C9 -74.3(6) . . . . ?
C17 C24 C25 C26 56.7(6) . . . . ?
C18 Si5 C17 Ge2 53.7(4) . . . . ?
C18 Si5 C17 Si6 -72.1(4) . . . . ?
C18 Si5 C17 C24 166.2(4) . . . . ?
C19 Si5 C17 Ge2 177.8(4) . . . . ?
C19 Si5 C17 Si6 51.9(4) . . . . ?
C19 Si5 C17 C24 -69.7(5) . . . . ?
C20 Si5 C17 Ge2 -66.0(4) . . . . ?
C20 Si5 C17 Si6 168.1(3) . . . . ?
C20 Si5 C17 C24 46.5(5) . . . . ?
C24 C25 C26 Ge2 -39.9(5) . . . . ?
C24 C25 C26 Si7 80.7(5) . . . . ?
C24 C25 C26 Si8 -159.5(4) . . . . ?
O1 C49 C50 O2 55(5) . . . . ?
O1 C49 C50 K1 31(3) . . . . ?
O1 C60 C59 O6 -41(7) . . . . ?
O1 C60 C59 K1 -23(3) . . . . ?
O2 C51 C52 O3 -65(5) . . . . ?
O3 C53 C54 O4 67(4) . . . . ?
O4 C55 C56 O5 -67(5) . . . . ?
O6 C58 C57 O5 69(6) . . . . ?
C55 O4 C54 C53 178(3) . . . . ?
C49 O1 C60 C59 167(4) . . . . ?
C49 O1 C60 K1 131(4) . . . . ?
C50 O2 C51 C52 -179(3) . . . . ?
C51 O2 C50 C49 -170(3) . . . . ?
C51 O2 C50 K1 -137(3) . . . . ?
C52 O3 C53 C54 177(3) . . . . ?
C53 O3 C52 C51 174(4) . . . . ?
C60 O1 C49 C50 178(4) . . . . ?
C60 O1 C49 K1 -134(4) . . . . ?
C59 O6 C58 C57 167(5) . . . . ?
C58 O6 C59 C60 160(5) . . . . ?
C58 O6 C59 K1 135(7) . . . . ?
C57 O5 C56 C55 -171(4) . . . . ?
C56 O5 C57 C58 -178(4) . . . . ?
C54 O4 C55 C56 -178(3) . . . . ?
O7 C61 C62 C63 52(2) . . . . ?
O7 C64 C63 C62 -8(3) . . . . ?
C61 O7 C64 C63 45(3) . . . . ?
C64 O7 C61 C62 -64(2) . . . . ?
C64 C63 C62 C61 -25(3) . . . . ?
C67 C66 C65 O8 30.5(14) . . . . ?
C66 C67 C68 O8 -4.7(17) . . . . ?
C65 O8 C68 C67 25.1(14) . . . . ?
C68 O8 C65 C66 -35.2(13) . . . . ?
C68 C67 C66 C65 -15.2(17) . . . . ?
K1 O1 C49 C50 -48(4) . . . . ?
K1 O1 C60 C59 36(5) . . . . ?
K1 O2 C50 C49 -32(4) . . . . ?
K1 O2 C51 C52 50(4) . . . . ?
K1 O3 C52 C51 45(4) . . . . ?
K1 O3 C53 C54 -61(4) . . . . ?
K1 O4 C55 C56 44(4) . . . . ?
K1 O4 C54 C53 -43(4) . . . . ?
K1 O6 C59 C60 26(6) . . . . ?
K1 O6 C58 C57 -66(5) . . . . ?
K1 O5 C57 C58 -48(4) . . . . ?
K1 O5 C56 C55 60(4) . . . . ?
K1 C49 C50 O2 24(3) . . . . ?
K1 C60 C59 O6 -19(5) . . . . ?
K1 O7 C61 C62 133.5(19) . . . . ?
K1 O7 C64 C63 -151.1(18) . . . . ?
K1 O8 C65 C66 139.8(8) . . . . ?
K1 O8 C68 C67 -150.1(10) . . . . ?
K1 O7A C61A C62A -156.2(17) . . . . ?
K1 O7A C64A C63A -161.5(19) . . . . ?
K1 O6A C58A C57A -46.4(16) . . . . ?
K1 O5A C56A C55A 49.9(12) . . . . ?
K1 O4A C54A C53A -46.4(12) . . . . ?
K1 O3A C52A C51A 44.7(12) . . . . ?
K1 O2A C50A C49A -37.8(13) . . . . ?
O7A C61A C62A C63A -68(2) . . . . ?
C61A O7A C64A C63A -8(3) . . . . ?
C61A C62A C63A C64A 59(2) . . . . ?
C62A C63A C64A O7A -35(3) . . . . ?
C64A O7A C61A C62A 50(3) . . . . ?
C60A C59A O6A K1 57.0(13) . . . . ?
C60A C59A O6A C58A -171.9(15) . . . . ?
C59A C60A O1A K1 48.5(11) . . . . ?
C59A C60A O1A C49A 178.9(9) . . . . ?
C59A O6A C58A C57A -177.3(15) . . . . ?
O6A C58A C57A O5A 67.3(17) . . . . ?
C58A C57A O5A K1 -50.8(12) . . . . ?
C58A C57A O5A C56A -179.4(12) . . . . ?
C57A O5A C56A C55A 178.6(11) . . . . ?
O5A C56A C55A O4A -63.9(14) . . . . ?
C56A C55A O4A K1 44.3(12) . . . . ?
C56A C55A O4A C54A 177.7(10) . . . . ?
C55A O4A C54A C53A 179.0(10) . . . . ?
O4A C54A C53A O3A 65.2(14) . . . . ?
C54A C53A O3A K1 -49.5(10) . . . . ?
C54A C53A O3A C52A 176.7(10) . . . . ?
C53A O3A C52A C51A 176.6(10) . . . . ?
O3A C52A C51A O2A -66.2(13) . . . . ?
C52A C51A O2A K1 52.6(10) . . . . ?
C52A C51A O2A C50A -172.0(10) . . . . ?
C51A O2A C50A C49A -169.9(9) . . . . ?
O2A C50A C49A O1A 62.2(13) . . . . ?
C50A C49A O1A K1 -56.3(10) . . . . ?
C50A C49A O1A C60A 173.9(10) . . . . ?
O1A C60A C59A O6A -71.7(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
