# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

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

data_240912_wxr_ngeclau
_database_code_depnum_ccdc_archive 'CCDC 2401588'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2024-09-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H45 Au Cl Ge N2 P Si4'
_chemical_formula_sum            'C15 H45 Au Cl Ge N2 P Si4'
_chemical_formula_weight         701.86
_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 0.0137 0.0067 '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 -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9157(5)
_cell_length_b                   11.3209(5)
_cell_length_c                   13.9382(7)
_cell_angle_alpha                84.0760(10)
_cell_angle_beta                 70.022(2)
_cell_angle_gamma                65.5240(10)
_cell_volume                     1471.82(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9854
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      60.502
_cell_measurement_theta_min      2.938
_shelx_estimated_absorpt_T_max   0.712
_shelx_estimated_absorpt_T_min   0.568
_exptl_absorpt_coefficient_mu    9.118
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_correction_T_min  0.5666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0757 before and 0.0521 after correction.
The Ratio of minimum to maximum transmission is 0.7537.
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    1.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_special_details           ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21905
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.653
_diffrn_reflns_theta_min         2.938
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III M28'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'ZJU Bruker D8 VENTURE Metaljet PHOTON III'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'liquid Metal X-ray source'
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_type              'Bruker Excillum Metaljet D2+'
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6161
_reflns_number_total             6687
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.218
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         6687
_refine_ls_number_restraints     65
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0233
_refine_ls_restrained_S_all      1.073
_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)+(0.0230P)²+0.7450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0575
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Au1-Ge1 \\sim Au1A-Ge1
 with sigma of 0.02
 Au1-P1 \\sim Au1A-P1
 with sigma of 0.02
 P1-C14 \\sim P1-C14A
 with sigma of 0.02
 P1-C15 \\sim P1-C15A
 with sigma of 0.02
 P1-C13 \\sim P1-C13A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Au1 \\sim Au1A: within 2A with sigma of 0.02 and sigma for terminal atoms of
0.04 within 2A
P1 \\sim C13 \\sim C13A \\sim C14 \\sim C14A \\sim C15 \\sim C15A: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
4. Others
 Sof(Au1A)=1-FVAR(1)
 Sof(Au1)=FVAR(1)
 Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C14A)=Sof(H14D)=Sof(H14E)=
 Sof(H14F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(2)
 Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(2)
5.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C13A(H13D,H13E,H13F), C14(H14A,H14B,H14C), C14A(H14D,H14E,H14F),
 C15(H15A,H15B,H15C), C15A(H15D,H15E,H15F)
;
_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 0.38239(2) 0.50072(2) 0.83486(3) 0.03733(6) Uani 0.9777(15) 1 d D U P A
1
Au1A Au 0.3948(6) 0.5228(8) 0.7823(17) 0.040(4) Uani 0.0223(15) 1 d D U P A 2
Ge1 Ge 0.60268(3) 0.30887(3) 0.78646(2) 0.03029(7) Uani 1 1 d D . . . .
Cl1 Cl 0.65313(8) 0.20024(7) 0.92195(5) 0.04953(16) Uani 1 1 d . . . . .
P1 P 0.16858(8) 0.67912(7) 0.85998(6) 0.04655(17) Uani 1 1 d D U . . .
Si1 Si 0.52684(8) 0.07191(7) 0.78231(6) 0.04059(16) Uani 1 1 d . . . . .
Si2 Si 0.55229(8) 0.24226(7) 0.60069(5) 0.03747(15) Uani 1 1 d . . . . .
Si3 Si 0.93676(7) 0.20764(7) 0.66751(6) 0.04013(16) Uani 1 1 d . . . . .
Si4 Si 0.75529(8) 0.48849(7) 0.74731(6) 0.04023(16) Uani 1 1 d . . . . .
N1 N 0.5877(2) 0.18674(19) 0.71411(15) 0.0303(4) Uani 1 1 d . . . . .
N2 N 0.7715(2) 0.33347(19) 0.72120(16) 0.0318(4) Uani 1 1 d . . . . .
C1 C 0.4658(4) -0.0049(3) 0.7048(3) 0.0602(9) Uani 1 1 d . . . . .
H1A H 0.397054 0.063159 0.677292 0.090 Uiso 1 1 calc R U . . .
H1B H 0.420501 -0.059197 0.748336 0.090 Uiso 1 1 calc R U . . .
H1C H 0.548084 -0.058787 0.648289 0.090 Uiso 1 1 calc R U . . .
C2 C 0.6676(4) -0.0713(3) 0.8176(3) 0.0572(8) Uani 1 1 d . . . . .
H2A H 0.744482 -0.116999 0.755296 0.086 Uiso 1 1 calc R U . . .
H2B H 0.625733 -0.130434 0.856436 0.086 Uiso 1 1 calc R U . . .
H2C H 0.706216 -0.041257 0.859400 0.086 Uiso 1 1 calc R U . . .
C3 C 0.3660(4) 0.1504(4) 0.8966(3) 0.0651(9) Uani 1 1 d . . . . .
H3A H 0.390254 0.191848 0.941641 0.098 Uiso 1 1 calc R U . . .
H3B H 0.334110 0.084347 0.933707 0.098 Uiso 1 1 calc R U . . .
H3C H 0.289506 0.216075 0.874492 0.098 Uiso 1 1 calc R U . . .
C4 C 0.6330(4) 0.1096(4) 0.4997(3) 0.0621(9) Uani 1 1 d . . . . .
H4A H 0.726189 0.047960 0.502953 0.093 Uiso 1 1 calc R U . . .
H4B H 0.644863 0.147106 0.432306 0.093 Uiso 1 1 calc R U . . .
H4C H 0.570141 0.064208 0.511074 0.093 Uiso 1 1 calc R U . . .
C5 C 0.6334(4) 0.3610(3) 0.5416(2) 0.0554(8) Uani 1 1 d . . . . .
H5A H 0.593638 0.435517 0.589407 0.083 Uiso 1 1 calc R U . . .
H5B H 0.611819 0.390779 0.478340 0.083 Uiso 1 1 calc R U . . .
H5C H 0.736945 0.318521 0.526106 0.083 Uiso 1 1 calc R U . . .
C6 C 0.3561(3) 0.3276(3) 0.6233(2) 0.0516(7) Uani 1 1 d . . . . .
H6A H 0.310915 0.266734 0.649937 0.077 Uiso 1 1 calc R U . . .
H6B H 0.340143 0.360178 0.558759 0.077 Uiso 1 1 calc R U . . .
H6C H 0.314696 0.400571 0.672919 0.077 Uiso 1 1 calc R U . . .
C7 C 0.9244(3) 0.0536(3) 0.6471(3) 0.0620(9) Uani 1 1 d . . . . .
H7A H 0.873779 0.027255 0.712481 0.093 Uiso 1 1 calc R U . . .
H7B H 1.020511 -0.014478 0.618965 0.093 Uiso 1 1 calc R U . . .
H7C H 0.872249 0.066945 0.599188 0.093 Uiso 1 1 calc R U . . .
C8 C 1.0477(4) 0.1667(4) 0.7520(3) 0.0754(11) Uani 1 1 d . . . . .
H8A H 1.060320 0.243790 0.764632 0.113 Uiso 1 1 calc R U . . .
H8B H 1.141076 0.097246 0.718698 0.113 Uiso 1 1 calc R U . . .
H8C H 1.000073 0.137460 0.817017 0.113 Uiso 1 1 calc R U . . .
C9 C 1.0359(4) 0.2499(4) 0.5399(3) 0.0655(9) Uani 1 1 d . . . . .
H9A H 0.971674 0.329389 0.518117 0.098 Uiso 1 1 calc R U . . .
H9B H 1.071483 0.178587 0.489852 0.098 Uiso 1 1 calc R U . . .
H9C H 1.116338 0.263724 0.545014 0.098 Uiso 1 1 calc R U . . .
C10 C 0.6779(5) 0.5311(4) 0.8868(3) 0.0692(10) Uani 1 1 d . . . . .
H10A H 0.576974 0.545788 0.910912 0.104 Uiso 1 1 calc R U . . .
H10B H 0.686598 0.610230 0.899747 0.104 Uiso 1 1 calc R U . . .
H10C H 0.729265 0.459654 0.923231 0.104 Uiso 1 1 calc R U . . .
C11 C 0.9294(4) 0.5041(4) 0.7026(4) 0.0872(14) Uani 1 1 d . . . . .
H11A H 0.992616 0.442463 0.737510 0.131 Uiso 1 1 calc R U . . .
H11B H 0.913566 0.592789 0.718151 0.131 Uiso 1 1 calc R U . . .
H11C H 0.973435 0.485279 0.628676 0.131 Uiso 1 1 calc R U . . .
C12 C 0.6459(5) 0.6172(3) 0.6808(3) 0.0750(12) Uani 1 1 d . . . . .
H12A H 0.692918 0.601777 0.606712 0.113 Uiso 1 1 calc R U . . .
H12B H 0.635435 0.702204 0.700817 0.113 Uiso 1 1 calc R U . . .
H12C H 0.551527 0.615498 0.699657 0.113 Uiso 1 1 calc R U . . .
C13 C 0.0135(6) 0.6509(7) 0.9412(6) 0.083(3) Uani 0.698(12) 1 d D U P A 1
H13A H -0.072568 0.731275 0.950197 0.124 Uiso 0.698(12) 1 calc R U P A 1
H13B H 0.024239 0.623603 1.007923 0.124 Uiso 0.698(12) 1 calc R U P A 1
H13C H 0.005253 0.582711 0.909091 0.124 Uiso 0.698(12) 1 calc R U P A 1
C13A C 0.0577(17) 0.709(2) 0.9972(11) 0.109(8) Uani 0.302(12) 1 d D U P A 2
H13D H -0.024169 0.793023 1.006556 0.163 Uiso 0.302(12) 1 calc R U P A 2
H13E H 0.114954 0.710166 1.037721 0.163 Uiso 0.302(12) 1 calc R U P A 2
H13F H 0.023656 0.639881 1.019579 0.163 Uiso 0.302(12) 1 calc R U P A 2
C14 C 0.1482(10) 0.8284(7) 0.9072(8) 0.088(3) Uani 0.698(12) 1 d D U P A 1
H14A H 0.048520 0.890572 0.923564 0.131 Uiso 0.698(12) 1 calc R U P A 1
H14B H 0.209557 0.863356 0.855111 0.131 Uiso 0.698(12) 1 calc R U P A 1
H14C H 0.175300 0.813601 0.968993 0.131 Uiso 0.698(12) 1 calc R U P A 1
C14A C 0.203(2) 0.8256(13) 0.8510(18) 0.076(5) Uani 0.302(12) 1 d D U P A 2
H14D H 0.112984 0.902432 0.860669 0.113 Uiso 0.302(12) 1 calc R U P A 2
H14E H 0.270638 0.825783 0.783549 0.113 Uiso 0.302(12) 1 calc R U P A 2
H14F H 0.242184 0.827016 0.904019 0.113 Uiso 0.302(12) 1 calc R U P A 2
C15 C 0.1274(7) 0.7200(8) 0.7410(5) 0.0601(17) Uani 0.698(12) 1 d D U P A 1
H15A H 0.030156 0.786859 0.755583 0.090 Uiso 0.698(12) 1 calc R U P A 1
H15B H 0.135218 0.642165 0.710119 0.090 Uiso 0.698(12) 1 calc R U P A 1
H15C H 0.194897 0.752820 0.693661 0.090 Uiso 0.698(12) 1 calc R U P A 1
C15A C 0.078(2) 0.705(3) 0.7752(19) 0.112(8) Uani 0.302(12) 1 d D U P A 2
H15D H -0.024990 0.750523 0.810934 0.168 Uiso 0.302(12) 1 calc R U P A 2
H15E H 0.096996 0.621634 0.745962 0.168 Uiso 0.302(12) 1 calc R U P A 2
H15F H 0.108831 0.758381 0.720302 0.168 Uiso 0.302(12) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Ge1 2.4127(3) . ?
Au1 P1 2.3087(7) . ?
Au1A Ge1 2.554(9) . ?
Au1A P1 2.313(6) . ?
Ge1 Cl1 2.2477(7) . ?
Ge1 N1 1.883(2) . ?
Ge1 N2 1.878(2) . ?
P1 C13 1.820(6) . ?
P1 C13A 1.857(13) . ?
P1 C14 1.777(7) . ?
P1 C14A 1.826(13) . ?
P1 C15 1.828(6) . ?
P1 C15A 1.720(14) . ?
Si1 N1 1.750(2) . ?
Si1 C1 1.880(3) . ?
Si1 C2 1.876(3) . ?
Si1 C3 1.870(3) . ?
Si2 N1 1.748(2) . ?
Si2 C4 1.872(3) . ?
Si2 C5 1.878(3) . ?
Si2 C6 1.872(3) . ?
Si3 N2 1.736(2) . ?
Si3 C7 1.861(3) . ?
Si3 C8 1.861(4) . ?
Si3 C9 1.871(3) . ?
Si4 N2 1.754(2) . ?
Si4 C10 1.860(4) . ?
Si4 C11 1.865(4) . ?
Si4 C12 1.856(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 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 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 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
P1 Au1 Ge1 172.01(3) . . ?
P1 Au1A Ge1 150.8(10) . . ?
Cl1 Ge1 Au1 112.64(2) . . ?
Cl1 Ge1 Au1A 129.1(5) . . ?
N1 Ge1 Au1 110.50(6) . . ?
N1 Ge1 Au1A 105.0(3) . . ?
N1 Ge1 Cl1 103.16(6) . . ?
N2 Ge1 Au1 117.20(6) . . ?
N2 Ge1 Au1A 107.3(3) . . ?
N2 Ge1 Cl1 100.01(6) . . ?
N2 Ge1 N1 112.04(9) . . ?
C13 P1 Au1 114.1(2) . . ?
C13 P1 C15 101.0(3) . . ?
C13A P1 Au1A 129.8(8) . . ?
C14 P1 Au1 119.0(3) . . ?
C14 P1 C13 105.5(4) . . ?
C14 P1 C15 104.2(4) . . ?
C14A P1 Au1A 101.8(7) . . ?
C14A P1 C13A 94.9(9) . . ?
C15 P1 Au1 111.1(3) . . ?
C15A P1 Au1A 106.2(9) . . ?
C15A P1 C13A 115.8(10) . . ?
C15A P1 C14A 102.5(12) . . ?
N1 Si1 C1 111.99(14) . . ?
N1 Si1 C2 113.99(13) . . ?
N1 Si1 C3 110.90(14) . . ?
C2 Si1 C1 103.01(16) . . ?
C3 Si1 C1 104.75(18) . . ?
C3 Si1 C2 111.57(18) . . ?
N1 Si2 C4 112.91(14) . . ?
N1 Si2 C5 111.06(11) . . ?
N1 Si2 C6 111.56(12) . . ?
C4 Si2 C5 104.50(17) . . ?
C6 Si2 C4 109.32(16) . . ?
C6 Si2 C5 107.11(16) . . ?
N2 Si3 C7 113.05(12) . . ?
N2 Si3 C8 111.47(16) . . ?
N2 Si3 C9 111.16(14) . . ?
C7 Si3 C9 106.69(17) . . ?
C8 Si3 C7 105.22(19) . . ?
C8 Si3 C9 108.94(19) . . ?
N2 Si4 C10 111.61(14) . . ?
N2 Si4 C11 113.13(14) . . ?
N2 Si4 C12 112.57(14) . . ?
C10 Si4 C11 106.2(2) . . ?
C12 Si4 C10 108.9(2) . . ?
C12 Si4 C11 103.9(2) . . ?
Si1 N1 Ge1 118.88(11) . . ?
Si2 N1 Ge1 114.20(11) . . ?
Si2 N1 Si1 119.83(12) . . ?
Si3 N2 Ge1 123.72(11) . . ?
Si3 N2 Si4 121.59(12) . . ?
Si4 N2 Ge1 112.90(11) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
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 . . ?
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 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 . . ?
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 . . ?
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 . . ?
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 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
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 . . ?
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 . . ?
P1 C13 H13A 109.5 . . ?
P1 C13 H13B 109.5 . . ?
P1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P1 C13A H13D 109.5 . . ?
P1 C13A H13E 109.5 . . ?
P1 C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
P1 C14 H14A 109.5 . . ?
P1 C14 H14B 109.5 . . ?
P1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P1 C14A H14D 109.5 . . ?
P1 C14A H14E 109.5 . . ?
P1 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
P1 C15 H15A 109.5 . . ?
P1 C15 H15B 109.5 . . ?
P1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P1 C15A H15D 109.5 . . ?
P1 C15A H15E 109.5 . . ?
P1 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 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
Au1 Ge1 N1 Si1 -89.75(11) . . . . ?
Au1 Ge1 N1 Si2 60.79(11) . . . . ?
Au1 Ge1 N2 Si3 -172.08(10) . . . . ?
Au1 Ge1 N2 Si4 23.00(13) . . . . ?
Au1A Ge1 N1 Si1 -106.3(5) . . . . ?
Au1A Ge1 N1 Si2 44.2(5) . . . . ?
Au1A Ge1 N2 Si3 -157.5(4) . . . . ?
Au1A Ge1 N2 Si4 37.6(5) . . . . ?
Cl1 Ge1 N1 Si1 30.87(12) . . . . ?
Cl1 Ge1 N1 Si2 -178.59(9) . . . . ?
Cl1 Ge1 N2 Si3 65.90(13) . . . . ?
Cl1 Ge1 N2 Si4 -99.02(10) . . . . ?
N1 Ge1 N2 Si3 -42.82(16) . . . . ?
N1 Ge1 N2 Si4 152.26(10) . . . . ?
N2 Ge1 N1 Si1 137.57(11) . . . . ?
N2 Ge1 N1 Si2 -71.89(13) . . . . ?
C1 Si1 N1 Ge1 162.27(14) . . . . ?
C1 Si1 N1 Si2 13.41(19) . . . . ?
C2 Si1 N1 Ge1 -81.28(18) . . . . ?
C2 Si1 N1 Si2 129.86(17) . . . . ?
C3 Si1 N1 Ge1 45.64(19) . . . . ?
C3 Si1 N1 Si2 -103.22(18) . . . . ?
C4 Si2 N1 Ge1 148.28(15) . . . . ?
C4 Si2 N1 Si1 -61.48(18) . . . . ?
C5 Si2 N1 Ge1 31.28(18) . . . . ?
C5 Si2 N1 Si1 -178.49(15) . . . . ?
C6 Si2 N1 Ge1 -88.13(16) . . . . ?
C6 Si2 N1 Si1 62.11(18) . . . . ?
C7 Si3 N2 Ge1 16.6(2) . . . . ?
C7 Si3 N2 Si4 -179.76(18) . . . . ?
C8 Si3 N2 Ge1 -101.71(19) . . . . ?
C8 Si3 N2 Si4 62.0(2) . . . . ?
C9 Si3 N2 Ge1 136.54(18) . . . . ?
C9 Si3 N2 Si4 -59.8(2) . . . . ?
C10 Si4 N2 Ge1 49.97(19) . . . . ?
C10 Si4 N2 Si3 -115.31(19) . . . . ?
C11 Si4 N2 Ge1 169.7(2) . . . . ?
C11 Si4 N2 Si3 4.4(2) . . . . ?
C12 Si4 N2 Ge1 -72.9(2) . . . . ?
C12 Si4 N2 Si3 121.8(2) . . . . ?


_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_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_231012_zr_1_ngenhcalag
_database_code_depnum_ccdc_archive 'CCDC 2401590'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-10-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H72 Au Ge N4 Si4, Al C16 F36 O4'
_chemical_formula_sum            'C55 H72 Al Au F36 Ge N4 O4 Si4'
_chemical_formula_weight         1946.06
_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 0.0137 0.0067 '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'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   17.6176(10)
_cell_length_b                   27.1229(15)
_cell_length_c                   17.9460(10)
_cell_angle_alpha                90
_cell_angle_beta                 109.893(2)
_cell_angle_gamma                90
_cell_volume                     8063.6(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9861
_cell_measurement_temperature    250.00
_cell_measurement_theta_max      59.558
_cell_measurement_theta_min      2.642
_shelx_estimated_absorpt_T_max   0.638
_shelx_estimated_absorpt_T_min   0.438
_exptl_absorpt_coefficient_mu    3.797
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.4146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1748 before and 0.0978 after correction.
The Ratio of minimum to maximum transmission is 0.5514.
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    1.603
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0874
_diffrn_reflns_av_unetI/netI     0.0730
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            118975
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.790
_diffrn_reflns_theta_min         2.641
_diffrn_ambient_temperature      250.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13261
_reflns_number_total             18565
_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 V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.808
_refine_diff_density_min         -1.024
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     975
_refine_ls_number_reflns         18565
_refine_ls_number_restraints     702
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0651
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1076P)²+7.4783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.1955
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C42, F8, F9, F7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C52, C49
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C41, C44, C42, C43
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3. Uiso/Uaniso restraints and constraints
Al1 \\sim O3 \\sim O1 \\sim O4 \\sim O2 \\sim C49 \\sim C41 \\sim C53 \\sim C45
\\sim C51 \\sim C50 \\sim C52 \\sim C44 \\sim C42 \\sim C43 \\sim C55 \\sim C56
\\sim C54 \\sim C47 \\sim C48 \\sim C46 \\sim F22 \\sim F23 \\sim F24 \\sim F19
\\sim F20 \\sim F21 \\sim F26 \\sim F27 \\sim F25 \\sim F4 \\sim F6 \\sim F5
\\sim F8 \\sim F9 \\sim F7 \\sim F3 \\sim F2 \\sim F1 \\sim F32 \\sim F31 \\sim
F33 \\sim F34 \\sim F36 \\sim F35 \\sim F29 \\sim F28 \\sim F30 \\sim F15 \\sim
F14 \\sim F13 \\sim F17 \\sim F18 \\sim F16 \\sim F10 \\sim F11 \\sim F12:
within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Uanis(C42) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C52)
\\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C55) \\sim Ueq,
Uanis(C56) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(F25) \\sim Ueq, Uanis(F26) \\sim Ueq, Uanis(F27) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
4.a Ternary CH refined with riding coordinates:
 C26(H26), C23(H23), C14(H14), C11(H11)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C9(H9), C21(H21), C19(H19), C20(H20), C7(H7), C8(H8)
4.c Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C), C27(H27A,H27B,H27C), C30(H30A,H30B,H30C), C29(H29A,H29B,
 H29C), C25(H25A,H25B,H25C), C38(H38A,H38B,H38C), C24(H24A,H24B,H24C), C28(H28A,
 H28B,H28C), C12(H12A,H12B,H12C), C35(H35A,H35B,H35C), C37(H37A,H37B,H37C),
 C39(H39A,H39B,H39C), C15(H15A,H15B,H15C), C36(H36A,H36B,H36C), C33(H33A,H33B,
 H33C), C16(H16A,H16B,H16C), C32(H32A,H32B,H32C), C13(H13A,H13B,H13C), C31(H31A,
 H31B,H31C), C40(H40A,H40B,H40C)
;
_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 0.72879(2) 0.52992(2) 0.26621(2) 0.05133(10) Uani 1 1 d . U . . .
Ge1 Ge 0.77826(4) 0.46273(2) 0.21089(4) 0.05441(17) Uani 1 1 d . U . . .
Al1 Al 0.28183(8) 0.26810(6) 0.24283(9) 0.0478(3) Uani 1 1 d . U . . .
Si1 Si 0.63287(13) 0.39796(7) 0.19183(15) 0.0856(6) Uani 1 1 d . U . . .
Si2 Si 0.80293(15) 0.35266(7) 0.26363(14) 0.0833(5) Uani 1 1 d . U . . .
Si3 Si 0.84797(16) 0.43315(9) 0.07687(13) 0.0929(6) Uani 1 1 d . U . . .
Si4 Si 0.93009(15) 0.51110(9) 0.20451(18) 0.0991(7) Uani 1 1 d . U . . .
N1 N 0.6383(3) 0.58259(16) 0.3626(3) 0.0590(9) Uani 1 1 d . U . . .
N2 N 0.6911(3) 0.63475(15) 0.3051(3) 0.0540(8) Uani 1 1 d . U . . .
O3 O 0.1917(3) 0.2557(2) 0.2541(3) 0.0919(12) Uani 1 1 d . U . . .
C2 C 0.6827(3) 0.58598(18) 0.3143(3) 0.0517(10) Uani 1 1 d . U . . .
N4 N 0.8548(3) 0.46549(18) 0.1646(4) 0.0693(10) Uani 1 1 d . U . . .
O1 O 0.3525(3) 0.2708(2) 0.3340(3) 0.0908(12) Uani 1 1 d . U . . .
C17 C 0.7369(3) 0.6568(2) 0.2605(3) 0.0568(9) Uani 1 1 d . U . . .
O4 O 0.3074(3) 0.2222(2) 0.1919(4) 0.1042(14) Uani 1 1 d . U . . .
N3 N 0.7387(3) 0.40125(17) 0.2130(3) 0.0637(8) Uani 1 1 d . U . . .
C5 C 0.6160(5) 0.5375(2) 0.3927(4) 0.0672(10) Uani 1 1 d . U . . .
F6 F 0.4704(4) 0.2871(4) 0.2764(4) 0.169(3) Uani 1 1 d . U . . .
O2 O 0.2784(3) 0.3218(2) 0.1943(4) 0.1062(14) Uani 1 1 d . U . . .
F31 F 0.2148(4) 0.1530(3) 0.0196(4) 0.165(2) Uani 1 1 d . U . . .
C26 C 0.8548(5) 0.6628(3) 0.3898(5) 0.0833(15) Uani 1 1 d . U . . .
H26 H 0.811919 0.655582 0.412366 0.100 Uiso 1 1 calc R U . . .
F33 F 0.1748(4) 0.2168(3) 0.0696(5) 0.165(2) Uani 1 1 d . U . . .
F20 F 0.1908(7) 0.3138(5) 0.3688(8) 0.253(5) Uani 1 1 d . U . . .
C3 C 0.6198(4) 0.6289(2) 0.3829(4) 0.0680(15) Uani 1 1 d . U . . .
H3 H 0.589796 0.636313 0.415951 0.082 Uiso 1 1 calc R U . . .
F15 F 0.3515(5) 0.3451(4) 0.0957(6) 0.203(3) Uani 1 1 d . U . . .
C10 C 0.5341(5) 0.5231(2) 0.3612(5) 0.0803(13) Uani 1 1 d . U . . .
C41 C 0.4289(4) 0.2749(3) 0.3855(4) 0.0848(9) Uani 1 1 d . U . . .
F8 F 0.3783(5) 0.3439(3) 0.4331(4) 0.176(3) Uani 1 1 d . U . . .
C49 C 0.1396(5) 0.2470(4) 0.2911(6) 0.0984(11) Uani 1 1 d . U . . .
C22 C 0.8160(4) 0.6709(2) 0.3015(4) 0.0671(11) Uani 1 1 d . U . . .
F9 F 0.3936(5) 0.2685(4) 0.5003(4) 0.182(2) Uani 1 1 d . U . . .
F4 F 0.5614(3) 0.2932(3) 0.3902(5) 0.169(2) Uani 1 1 d . U . . .
C23 C 0.6106(4) 0.6510(3) 0.1359(4) 0.0825(15) Uani 1 1 d . U . . .
H23 H 0.585538 0.644473 0.176595 0.099 Uiso 1 1 calc R U . . .
C4 C 0.6524(4) 0.6612(2) 0.3470(4) 0.0635(14) Uani 1 1 d . U . . .
H4 H 0.649617 0.695690 0.349644 0.076 Uiso 1 1 calc R U . . .
F17 F 0.1951(6) 0.3302(3) 0.0286(4) 0.188(3) Uani 1 1 d . U . . .
F18 F 0.1263(4) 0.3314(4) 0.1053(4) 0.179(3) Uani 1 1 d . U . . .
C18 C 0.6976(4) 0.6646(2) 0.1780(4) 0.0619(10) Uani 1 1 d . U . . .
C45 C 0.2569(4) 0.3637(3) 0.1561(4) 0.0738(8) Uani 1 1 d . U . . .
C53 C 0.3030(5) 0.1870(3) 0.1400(4) 0.0815(9) Uani 1 1 d . U . . .
F13 F 0.3851(5) 0.3967(4) 0.1838(7) 0.223(4) Uani 1 1 d . U . . .
C34 C 0.8078(7) 0.3014(3) 0.1971(7) 0.120(3) Uani 1 1 d . U . . .
H34A H 0.755238 0.296989 0.156669 0.181 Uiso 1 1 calc R U . . .
H34B H 0.823427 0.271323 0.227652 0.181 Uiso 1 1 calc R U . . .
H34C H 0.847268 0.309172 0.172100 0.181 Uiso 1 1 calc R U . . .
C6 C 0.6740(5) 0.5129(3) 0.4546(4) 0.0814(13) Uani 1 1 d . U . . .
C9 C 0.5133(6) 0.4812(3) 0.3938(6) 0.103(2) Uani 1 1 d . U . . .
H9 H 0.459677 0.469904 0.374884 0.123 Uiso 1 1 calc R U . . .
F2 F 0.4092(6) 0.1956(3) 0.4249(6) 0.203(3) Uani 1 1 d . U . . .
F16 F 0.1442(5) 0.3963(3) 0.0513(4) 0.171(3) Uani 1 1 d . U . . .
C21 C 0.8585(5) 0.6927(3) 0.2552(5) 0.0805(15) Uani 1 1 d . U . . .
H21 H 0.912019 0.703143 0.280016 0.097 Uiso 1 1 calc R U . . .
F7 F 0.4973(4) 0.3230(3) 0.4990(4) 0.186(3) Uani 1 1 d . U . . .
C14 C 0.4736(5) 0.5506(3) 0.2949(5) 0.0890(15) Uani 1 1 d . U . . .
H14 H 0.491686 0.585390 0.299643 0.107 Uiso 1 1 calc R U . . .
F3 F 0.4889(5) 0.2071(4) 0.3477(6) 0.204(3) Uani 1 1 d . U . . .
C27 C 0.9133(7) 0.6184(4) 0.4061(6) 0.128(4) Uani 1 1 d . U . . .
H27A H 0.887117 0.590987 0.372488 0.191 Uiso 1 1 calc R U . . .
H27B H 0.928192 0.608800 0.461230 0.191 Uiso 1 1 calc R U . . .
H27C H 0.961422 0.627700 0.394652 0.191 Uiso 1 1 calc R U . . .
C11 C 0.7610(6) 0.5305(3) 0.4904(5) 0.0969(18) Uani 1 1 d . U . . .
H11 H 0.767414 0.559860 0.460416 0.116 Uiso 1 1 calc R U . . .
F14 F 0.3012(5) 0.4178(3) 0.0756(6) 0.204(3) Uani 1 1 d . U . . .
C30 C 0.5832(5) 0.4437(3) 0.1140(6) 0.109(2) Uani 1 1 d . U . . .
H30A H 0.610098 0.475273 0.127892 0.164 Uiso 1 1 calc R U . . .
H30B H 0.526989 0.447069 0.109493 0.164 Uiso 1 1 calc R U . . .
H30C H 0.586418 0.432665 0.063716 0.164 Uiso 1 1 calc R U . . .
C47 C 0.3250(7) 0.3794(4) 0.1264(7) 0.1208(18) Uani 1 1 d . U . . .
C29 C 0.6060(6) 0.4120(3) 0.2794(6) 0.109(2) Uani 1 1 d . U . . .
H29A H 0.635265 0.390217 0.322445 0.164 Uiso 1 1 calc R U . . .
H29B H 0.548401 0.407329 0.267122 0.164 Uiso 1 1 calc R U . . .
H29C H 0.619957 0.445968 0.295167 0.164 Uiso 1 1 calc R U . . .
F36 F 0.3734(5) 0.1667(4) 0.0514(5) 0.202(3) Uani 1 1 d . U . . .
C25 C 0.5652(5) 0.6930(4) 0.0846(6) 0.109(3) Uani 1 1 d . U . . .
H25A H 0.574480 0.723115 0.115629 0.163 Uiso 1 1 calc R U . . .
H25B H 0.507899 0.685593 0.065155 0.163 Uiso 1 1 calc R U . . .
H25C H 0.583960 0.697315 0.040096 0.163 Uiso 1 1 calc R U . . .
F12 F 0.1697(6) 0.3936(4) 0.2181(6) 0.218(3) Uani 1 1 d . U . . .
F27 F 0.2289(7) 0.2306(5) 0.4170(5) 0.222(3) Uani 1 1 d . U . . .
C19 C 0.7451(5) 0.6857(3) 0.1387(4) 0.0765(15) Uani 1 1 d . U . . .
H19 H 0.722086 0.691284 0.083890 0.092 Uiso 1 1 calc R U . . .
C38 C 0.9625(6) 0.5085(4) 0.3138(7) 0.133(3) Uani 1 1 d . U . . .
H38A H 0.915640 0.511154 0.330319 0.199 Uiso 1 1 calc R U . . .
H38B H 0.999206 0.535533 0.336269 0.199 Uiso 1 1 calc R U . . .
H38C H 0.989685 0.477425 0.332252 0.199 Uiso 1 1 calc R U . . .
F23 F 0.0384(6) 0.2551(5) 0.1682(6) 0.220(4) Uani 1 1 d . U . . .
C24 C 0.6056(6) 0.6040(4) 0.0885(5) 0.109(3) Uani 1 1 d . U . . .
H24A H 0.626478 0.610146 0.045773 0.164 Uiso 1 1 calc R U . . .
H24B H 0.549793 0.593463 0.066458 0.164 Uiso 1 1 calc R U . . .
H24C H 0.637387 0.578415 0.122830 0.164 Uiso 1 1 calc R U . . .
C20 C 0.8228(5) 0.6986(3) 0.1759(5) 0.0825(16) Uani 1 1 d . U . . .
H20 H 0.852803 0.711880 0.146282 0.099 Uiso 1 1 calc R U . . .
F5 F 0.4633(5) 0.3521(3) 0.3537(6) 0.187(3) Uani 1 1 d . U . . .
C28 C 0.9037(7) 0.7086(4) 0.4330(6) 0.114(3) Uani 1 1 d . U . . .
H28A H 0.937886 0.720244 0.404239 0.171 Uiso 1 1 calc R U . . .
H28B H 0.936915 0.699454 0.486393 0.171 Uiso 1 1 calc R U . . .
H28C H 0.866649 0.734559 0.435199 0.171 Uiso 1 1 calc R U . . .
F29 F 0.4254(5) 0.1479(4) 0.2085(6) 0.227(4) Uani 1 1 d . U . . .
C55 C 0.2203(6) 0.1790(4) 0.0831(7) 0.1163(16) Uani 1 1 d . U . . .
F10 F 0.2976(6) 0.4048(4) 0.2751(4) 0.219(4) Uani 1 1 d . U . . .
F32 F 0.1815(5) 0.1500(4) 0.1267(6) 0.199(3) Uani 1 1 d . U . . .
F28 F 0.3229(7) 0.1009(3) 0.1415(6) 0.247(4) Uani 1 1 d . U . . .
F30 F 0.3189(8) 0.1322(4) 0.2439(6) 0.249(4) Uani 1 1 d . U . . .
C12 C 0.8196(7) 0.4917(4) 0.4833(6) 0.122(3) Uani 1 1 d . U . . .
H12A H 0.819382 0.464116 0.517559 0.183 Uiso 1 1 calc R U . . .
H12B H 0.873428 0.505706 0.498863 0.183 Uiso 1 1 calc R U . . .
H12C H 0.803645 0.480454 0.428816 0.183 Uiso 1 1 calc R U . . .
F34 F 0.3043(7) 0.2362(4) 0.0351(5) 0.208(3) Uani 1 1 d . U . . .
C7 C 0.6481(8) 0.4711(3) 0.4837(6) 0.105(2) Uani 1 1 d . U . . .
H7 H 0.685218 0.453090 0.524903 0.126 Uiso 1 1 calc R U . . .
F22 F 0.0009(4) 0.2327(4) 0.2623(7) 0.223(4) Uani 1 1 d . U . . .
F26 F 0.2040(7) 0.1713(4) 0.3288(8) 0.237(3) Uani 1 1 d . U . . .
C48 C 0.1787(6) 0.3568(4) 0.0842(6) 0.1052(15) Uani 1 1 d . U . . .
F19 F 0.0840(7) 0.2887(5) 0.3760(6) 0.240(4) Uani 1 1 d . U . . .
F11 F 0.2341(6) 0.4479(3) 0.1769(6) 0.196(3) Uani 1 1 d . U . . .
C35 C 0.7482(7) 0.4047(5) 0.0331(6) 0.141(4) Uani 1 1 d . U . . .
H35A H 0.738421 0.382519 0.071327 0.211 Uiso 1 1 calc R U . . .
H35B H 0.746309 0.386266 -0.013819 0.211 Uiso 1 1 calc R U . . .
H35C H 0.707127 0.430146 0.018745 0.211 Uiso 1 1 calc R U . . .
C37 C 0.9282(7) 0.3863(4) 0.0952(7) 0.137(3) Uani 1 1 d . U . . .
H37A H 0.978591 0.402276 0.098719 0.205 Uiso 1 1 calc R U . . .
H37B H 0.913646 0.362730 0.052039 0.205 Uiso 1 1 calc R U . . .
H37C H 0.934589 0.369363 0.144571 0.205 Uiso 1 1 calc R U . . .
C39 C 0.8868(7) 0.5726(3) 0.1670(7) 0.129(3) Uani 1 1 d . U . . .
H39A H 0.855085 0.570197 0.111104 0.194 Uiso 1 1 calc R U . . .
H39B H 0.930190 0.596150 0.174210 0.194 Uiso 1 1 calc R U . . .
H39C H 0.852519 0.583604 0.196122 0.194 Uiso 1 1 calc R U . . .
F1 F 0.5237(6) 0.2272(4) 0.4810(5) 0.241(4) Uani 1 1 d . U . . .
C44 C 0.4879(6) 0.2915(5) 0.3513(7) 0.1258(16) Uani 1 1 d . U . . .
F35 F 0.4197(5) 0.2261(4) 0.1317(6) 0.210(3) Uani 1 1 d . U . . .
C15 C 0.4728(8) 0.5324(4) 0.2129(7) 0.129(4) Uani 1 1 d . U . . .
H15A H 0.522914 0.541740 0.205467 0.193 Uiso 1 1 calc R U . . .
H15B H 0.427746 0.547219 0.171629 0.193 Uiso 1 1 calc R U . . .
H15C H 0.467355 0.496788 0.210244 0.193 Uiso 1 1 calc R U . . .
C8 C 0.5705(7) 0.4557(3) 0.4538(6) 0.116(2) Uani 1 1 d . U . . .
H8 H 0.555025 0.426982 0.474392 0.139 Uiso 1 1 calc R U . . .
C36 C 0.8610(11) 0.4787(5) 0.0023(8) 0.172(5) Uani 1 1 d . U . . .
H36A H 0.816174 0.501697 -0.012641 0.258 Uiso 1 1 calc R U . . .
H36B H 0.862274 0.461089 -0.044287 0.258 Uiso 1 1 calc R U . . .
H36C H 0.911154 0.496579 0.025686 0.258 Uiso 1 1 calc R U . . .
F24 F 0.0755(6) 0.1815(5) 0.2108(9) 0.270(5) Uani 1 1 d . U . . .
F21 F 0.0681(6) 0.3210(4) 0.2606(7) 0.235(4) Uani 1 1 d . U . . .
C33 C 0.9069(5) 0.3779(3) 0.3143(6) 0.116(3) Uani 1 1 d . U . . .
H33A H 0.932896 0.383812 0.275385 0.174 Uiso 1 1 calc R U . . .
H33B H 0.938382 0.354373 0.353279 0.174 Uiso 1 1 calc R U . . .
H33C H 0.903199 0.408672 0.340482 0.174 Uiso 1 1 calc R U . . .
C16 C 0.3869(6) 0.5510(5) 0.2957(9) 0.147(4) Uani 1 1 d . U . . .
H16A H 0.371229 0.517822 0.304255 0.221 Uiso 1 1 calc R U . . .
H16B H 0.350815 0.563280 0.245325 0.221 Uiso 1 1 calc R U . . .
H16C H 0.383879 0.572301 0.338060 0.221 Uiso 1 1 calc R U . . .
F25 F 0.1172(6) 0.1915(5) 0.3799(7) 0.250(4) Uani 1 1 d . U . . .
C32 C 0.7668(8) 0.3286(4) 0.3425(7) 0.132(3) Uani 1 1 d . U . . .
H32A H 0.780607 0.351689 0.386307 0.199 Uiso 1 1 calc R U . . .
H32B H 0.792137 0.297024 0.360976 0.199 Uiso 1 1 calc R U . . .
H32C H 0.708633 0.324393 0.321344 0.199 Uiso 1 1 calc R U . . .
C13 C 0.7810(9) 0.5456(5) 0.5767(6) 0.155(5) Uani 1 1 d . U . . .
H13A H 0.748225 0.573688 0.579783 0.233 Uiso 1 1 calc R U . . .
H13B H 0.837674 0.554320 0.598907 0.233 Uiso 1 1 calc R U . . .
H13C H 0.769898 0.518270 0.606392 0.233 Uiso 1 1 calc R U . . .
C31 C 0.5958(6) 0.3347(3) 0.1531(7) 0.128(3) Uani 1 1 d . U . . .
H31A H 0.608188 0.328330 0.105254 0.193 Uiso 1 1 calc R U . . .
H31B H 0.537838 0.332881 0.141134 0.193 Uiso 1 1 calc R U . . .
H31C H 0.622157 0.310157 0.192806 0.193 Uiso 1 1 calc R U . . .
C56 C 0.3602(7) 0.2039(5) 0.0924(7) 0.1271(18) Uani 1 1 d . U . . .
C40 C 1.0229(7) 0.4979(6) 0.1814(11) 0.193(5) Uani 1 1 d . U . . .
H40A H 1.042992 0.465421 0.201071 0.290 Uiso 1 1 calc R U . . .
H40B H 1.063682 0.522430 0.206479 0.290 Uiso 1 1 calc R U . . .
H40C H 1.010700 0.498948 0.124446 0.290 Uiso 1 1 calc R U . . .
C46 C 0.2412(8) 0.4038(5) 0.2081(7) 0.1307(19) Uani 1 1 d . U . . .
C42 C 0.4284(7) 0.3044(5) 0.4494(6) 0.1273(17) Uani 1 1 d . U . . .
C43 C 0.4616(8) 0.2206(5) 0.4058(8) 0.1339(19) Uani 1 1 d . U . . .
C51 C 0.0564(7) 0.2398(6) 0.2290(10) 0.154(2) Uani 1 1 d . U . . .
C50 C 0.1240(9) 0.2967(6) 0.3299(9) 0.150(2) Uani 1 1 d . U . . .
C54 C 0.3373(9) 0.1386(5) 0.1803(8) 0.147(2) Uani 1 1 d . U . . .
C52 C 0.1662(10) 0.2089(6) 0.3504(10) 0.160(2) Uani 1 1 d . 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 2.3780(6) . ?
Au1 C2 2.048(5) . ?
Ge1 N4 1.810(5) . ?
Ge1 N3 1.813(5) . ?
Al1 O3 1.701(5) . ?
Al1 O1 1.686(5) . ?
Al1 O4 1.693(5) . ?
Al1 O2 1.687(5) . ?
Si1 N3 1.773(6) . ?
Si1 C30 1.850(10) . ?
Si1 C29 1.830(9) . ?
Si1 C31 1.884(8) . ?
Si2 N3 1.773(5) . ?
Si2 C34 1.853(8) . ?
Si2 C33 1.876(9) . ?
Si2 C32 1.857(10) . ?
Si3 N4 1.770(6) . ?
Si3 C35 1.834(11) . ?
Si3 C37 1.845(9) . ?
Si3 C36 1.891(11) . ?
Si4 N4 1.777(6) . ?
Si4 C38 1.849(12) . ?
Si4 C39 1.863(10) . ?
Si4 C40 1.854(10) . ?
N1 C2 1.353(7) . ?
N1 C5 1.444(7) . ?
N1 C3 1.379(7) . ?
N2 C2 1.347(6) . ?
N2 C17 1.445(7) . ?
N2 C4 1.375(7) . ?
O3 C49 1.324(8) . ?
O1 C41 1.355(8) . ?
C17 C22 1.389(9) . ?
C17 C18 1.421(8) . ?
O4 C53 1.317(8) . ?
C5 C10 1.414(11) . ?
C5 C6 1.397(10) . ?
F6 C44 1.278(12) . ?
O2 C45 1.315(8) . ?
F31 C55 1.316(12) . ?
C26 H26 0.9900 . ?
C26 C22 1.513(10) . ?
C26 C27 1.546(12) . ?
C26 C28 1.560(11) . ?
F33 C55 1.274(12) . ?
F20 C50 1.236(16) . ?
C3 H3 0.9400 . ?
C3 C4 1.328(8) . ?
F15 C47 1.249(14) . ?
C10 C9 1.383(10) . ?
C10 C14 1.499(12) . ?
C41 C44 1.447(13) . ?
C41 C42 1.399(12) . ?
C41 C43 1.578(14) . ?
F8 C42 1.356(13) . ?
C49 C51 1.523(16) . ?
C49 C50 1.585(16) . ?
C49 C52 1.442(16) . ?
C22 C21 1.421(9) . ?
F9 C42 1.594(15) . ?
F4 C44 1.245(11) . ?
C23 H23 0.9900 . ?
C23 C18 1.505(10) . ?
C23 C25 1.512(11) . ?
C23 C24 1.519(12) . ?
C4 H4 0.9400 . ?
F17 C48 1.340(12) . ?
F18 C48 1.306(11) . ?
C18 C19 1.388(8) . ?
C45 C47 1.530(12) . ?
C45 C48 1.545(11) . ?
C45 C46 1.518(13) . ?
C53 C55 1.483(12) . ?
C53 C56 1.594(14) . ?
C53 C54 1.522(14) . ?
F13 C47 1.289(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
C6 C11 1.523(13) . ?
C6 C7 1.388(10) . ?
C9 H9 0.9400 . ?
C9 C8 1.385(15) . ?
F2 C43 1.284(15) . ?
F16 C48 1.275(11) . ?
C21 H21 0.9400 . ?
C21 C20 1.356(11) . ?
F7 C42 1.336(11) . ?
C14 H14 0.9900 . ?
C14 C15 1.548(14) . ?
C14 C16 1.532(12) . ?
F3 C43 1.338(16) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C11 H11 0.9900 . ?
C11 C12 1.508(13) . ?
C11 C13 1.522(13) . ?
F14 C47 1.354(12) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
F36 C56 1.316(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 H25C 0.9700 . ?
F12 C46 1.360(16) . ?
F27 C52 1.449(19) . ?
C19 H19 0.9400 . ?
C19 C20 1.350(10) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?
F23 C51 1.110(16) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C20 H20 0.9400 . ?
F5 C44 1.704(15) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
F29 C54 1.481(17) . ?
C55 F32 1.437(14) . ?
F10 C46 1.272(15) . ?
F28 C54 1.215(13) . ?
F30 C54 1.300(16) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
F34 C56 1.451(15) . ?
C7 H7 0.9400 . ?
C7 C8 1.354(15) . ?
F22 C51 1.321(14) . ?
F26 C52 1.344(18) . ?
F19 C50 1.274(14) . ?
F11 C46 1.310(14) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 H35C 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 H37C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
F1 C43 1.430(14) . ?
F35 C56 1.207(13) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C8 H8 0.9400 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
F24 C51 1.67(2) . ?
F21 C50 1.454(17) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 H33C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
F25 C52 1.248(14) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?

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
C2 Au1 Ge1 177.73(15) . . ?
N4 Ge1 Au1 126.59(16) . . ?
N4 Ge1 N3 113.5(2) . . ?
N3 Ge1 Au1 119.87(16) . . ?
O1 Al1 O3 107.7(3) . . ?
O1 Al1 O4 108.2(3) . . ?
O1 Al1 O2 110.4(3) . . ?
O4 Al1 O3 110.4(3) . . ?
O2 Al1 O3 111.1(3) . . ?
O2 Al1 O4 109.0(4) . . ?
N3 Si1 C30 108.7(4) . . ?
N3 Si1 C29 111.5(4) . . ?
N3 Si1 C31 109.4(4) . . ?
C30 Si1 C31 108.4(5) . . ?
C29 Si1 C30 108.4(5) . . ?
C29 Si1 C31 110.4(5) . . ?
N3 Si2 C34 112.8(4) . . ?
N3 Si2 C33 109.0(3) . . ?
N3 Si2 C32 109.1(4) . . ?
C34 Si2 C33 109.6(5) . . ?
C34 Si2 C32 109.3(5) . . ?
C32 Si2 C33 106.9(5) . . ?
N4 Si3 C35 110.8(4) . . ?
N4 Si3 C37 111.5(4) . . ?
N4 Si3 C36 108.5(5) . . ?
C35 Si3 C37 110.5(6) . . ?
C35 Si3 C36 107.5(7) . . ?
C37 Si3 C36 107.8(6) . . ?
N4 Si4 C38 108.6(4) . . ?
N4 Si4 C39 108.7(4) . . ?
N4 Si4 C40 111.7(5) . . ?
C38 Si4 C39 111.0(5) . . ?
C38 Si4 C40 104.6(7) . . ?
C40 Si4 C39 112.1(7) . . ?
C2 N1 C5 126.0(4) . . ?
C2 N1 C3 110.3(4) . . ?
C3 N1 C5 123.6(5) . . ?
C2 N2 C17 125.4(4) . . ?
C2 N2 C4 110.4(4) . . ?
C4 N2 C17 124.1(4) . . ?
C49 O3 Al1 158.2(6) . . ?
N1 C2 Au1 128.2(4) . . ?
N2 C2 Au1 126.9(4) . . ?
N2 C2 N1 104.9(4) . . ?
Si3 N4 Ge1 123.5(3) . . ?
Si3 N4 Si4 121.2(3) . . ?
Si4 N4 Ge1 114.5(3) . . ?
C41 O1 Al1 154.2(5) . . ?
C22 C17 N2 118.0(5) . . ?
C22 C17 C18 123.7(5) . . ?
C18 C17 N2 118.2(5) . . ?
C53 O4 Al1 162.2(6) . . ?
Si1 N3 Ge1 115.2(3) . . ?
Si1 N3 Si2 120.9(3) . . ?
Si2 N3 Ge1 120.7(3) . . ?
C10 C5 N1 117.1(6) . . ?
C6 C5 N1 118.9(7) . . ?
C6 C5 C10 123.8(6) . . ?
C45 O2 Al1 165.6(6) . . ?
C22 C26 H26 108.8 . . ?
C22 C26 C27 110.2(7) . . ?
C22 C26 C28 112.4(6) . . ?
C27 C26 H26 108.8 . . ?
C27 C26 C28 107.8(8) . . ?
C28 C26 H26 108.8 . . ?
N1 C3 H3 126.5 . . ?
C4 C3 N1 106.9(5) . . ?
C4 C3 H3 126.5 . . ?
C5 C10 C14 122.2(6) . . ?
C9 C10 C5 116.0(8) . . ?
C9 C10 C14 121.7(8) . . ?
O1 C41 C44 115.3(7) . . ?
O1 C41 C42 108.9(7) . . ?
O1 C41 C43 106.3(8) . . ?
C44 C41 C43 97.4(9) . . ?
C42 C41 C44 112.1(9) . . ?
C42 C41 C43 116.6(9) . . ?
O3 C49 C51 108.4(9) . . ?
O3 C49 C50 108.7(8) . . ?
O3 C49 C52 113.2(9) . . ?
C51 C49 C50 99.3(10) . . ?
C52 C49 C51 115.9(11) . . ?
C52 C49 C50 110.3(11) . . ?
C17 C22 C26 121.9(6) . . ?
C17 C22 C21 116.0(6) . . ?
C21 C22 C26 122.1(6) . . ?
C18 C23 H23 107.9 . . ?
C18 C23 C25 111.1(7) . . ?
C18 C23 C24 110.0(7) . . ?
C25 C23 H23 107.9 . . ?
C25 C23 C24 111.9(7) . . ?
C24 C23 H23 107.9 . . ?
N2 C4 H4 126.3 . . ?
C3 C4 N2 107.4(5) . . ?
C3 C4 H4 126.3 . . ?
C17 C18 C23 122.6(5) . . ?
C19 C18 C17 115.3(6) . . ?
C19 C18 C23 122.1(6) . . ?
O2 C45 C47 107.5(7) . . ?
O2 C45 C48 110.3(7) . . ?
O2 C45 C46 112.3(8) . . ?
C47 C45 C48 108.9(8) . . ?
C46 C45 C47 110.2(9) . . ?
C46 C45 C48 107.7(8) . . ?
O4 C53 C55 113.6(7) . . ?
O4 C53 C56 105.9(7) . . ?
O4 C53 C54 111.8(8) . . ?
C55 C53 C56 109.0(8) . . ?
C55 C53 C54 109.9(9) . . ?
C54 C53 C56 106.4(9) . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C5 C6 C11 123.0(6) . . ?
C7 C6 C5 116.4(9) . . ?
C7 C6 C11 120.6(8) . . ?
C10 C9 H9 119.6 . . ?
C10 C9 C8 120.9(10) . . ?
C8 C9 H9 119.6 . . ?
C22 C21 H21 119.5 . . ?
C20 C21 C22 121.0(7) . . ?
C20 C21 H21 119.5 . . ?
C10 C14 H14 106.5 . . ?
C10 C14 C15 111.7(7) . . ?
C10 C14 C16 116.0(8) . . ?
C15 C14 H14 106.5 . . ?
C16 C14 H14 106.5 . . ?
C16 C14 C15 109.0(9) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C6 C11 H11 107.9 . . ?
C12 C11 C6 111.4(8) . . ?
C12 C11 H11 107.9 . . ?
C12 C11 C13 110.2(9) . . ?
C13 C11 C6 111.4(9) . . ?
C13 C11 H11 107.9 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F15 C47 C45 113.8(9) . . ?
F15 C47 F13 107.1(11) . . ?
F15 C47 F14 110.7(11) . . ?
F13 C47 C45 110.5(10) . . ?
F13 C47 F14 103.9(10) . . ?
F14 C47 C45 110.4(9) . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C18 C19 H19 118.6 . . ?
C20 C19 C18 122.7(7) . . ?
C20 C19 H19 118.6 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C20 H20 119.4 . . ?
C19 C20 C21 121.2(6) . . ?
C19 C20 H20 119.4 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
F31 C55 C53 116.1(9) . . ?
F31 C55 F32 105.6(9) . . ?
F33 C55 F31 114.3(10) . . ?
F33 C55 C53 114.9(8) . . ?
F33 C55 F32 99.1(10) . . ?
F32 C55 C53 104.1(9) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(9) . . ?
C8 C7 H7 119.3 . . ?
F17 C48 C45 109.4(8) . . ?
F18 C48 F17 106.6(10) . . ?
F18 C48 C45 109.8(7) . . ?
F16 C48 F17 107.2(9) . . ?
F16 C48 F18 107.7(10) . . ?
F16 C48 C45 115.7(8) . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si3 C37 H37A 109.5 . . ?
Si3 C37 H37B 109.5 . . ?
Si3 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si4 C39 H39A 109.5 . . ?
Si4 C39 H39B 109.5 . . ?
Si4 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
F6 C44 C41 117.8(8) . . ?
F6 C44 F5 98.3(10) . . ?
C41 C44 F5 93.6(8) . . ?
F4 C44 F6 115.2(10) . . ?
F4 C44 C41 122.3(10) . . ?
F4 C44 F5 100.0(9) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C8 H8 119.2 . . ?
C7 C8 C9 121.5(8) . . ?
C7 C8 H8 119.2 . . ?
Si3 C36 H36A 109.5 . . ?
Si3 C36 H36B 109.5 . . ?
Si3 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
F36 C56 C53 110.1(11) . . ?
F36 C56 F34 105.9(10) . . ?
F34 C56 C53 98.9(8) . . ?
F35 C56 C53 114.4(9) . . ?
F35 C56 F36 115.1(11) . . ?
F35 C56 F34 111.0(14) . . ?
Si4 C40 H40A 109.5 . . ?
Si4 C40 H40B 109.5 . . ?
Si4 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
F12 C46 C45 107.8(10) . . ?
F10 C46 C45 110.4(10) . . ?
F10 C46 F12 110.0(12) . . ?
F10 C46 F11 108.3(11) . . ?
F11 C46 C45 113.7(10) . . ?
F11 C46 F12 106.5(11) . . ?
C41 C42 F9 103.4(9) . . ?
F8 C42 C41 117.4(8) . . ?
F8 C42 F9 104.9(10) . . ?
F7 C42 C41 120.2(10) . . ?
F7 C42 F8 102.8(9) . . ?
F7 C42 F9 106.8(8) . . ?
F2 C43 C41 108.4(10) . . ?
F2 C43 F3 123.0(13) . . ?
F2 C43 F1 101.7(12) . . ?
F3 C43 C41 106.1(11) . . ?
F3 C43 F1 114.0(11) . . ?
F1 C43 C41 101.7(10) . . ?
C49 C51 F24 93.2(10) . . ?
F23 C51 C49 123.6(11) . . ?
F23 C51 F22 119.5(13) . . ?
F23 C51 F24 99.9(16) . . ?
F22 C51 C49 111.4(13) . . ?
F22 C51 F24 100.4(11) . . ?
F20 C50 C49 107.0(11) . . ?
F20 C50 F19 109.1(15) . . ?
F20 C50 F21 123.5(17) . . ?
F19 C50 C49 110.9(13) . . ?
F19 C50 F21 105.6(12) . . ?
F21 C50 C49 100.2(11) . . ?
F29 C54 C53 102.4(11) . . ?
F28 C54 C53 118.9(11) . . ?
F28 C54 F29 109.3(13) . . ?
F28 C54 F30 108.9(15) . . ?
F30 C54 C53 110.8(11) . . ?
F30 C54 F29 105.6(12) . . ?
C49 C52 F27 106.4(12) . . ?
F26 C52 C49 113.4(12) . . ?
F26 C52 F27 103.4(13) . . ?
F25 C52 C49 119.1(14) . . ?
F25 C52 F27 104.3(14) . . ?
F25 C52 F26 108.5(15) . . ?

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 Ge1 N4 Si3 -138.1(2) . . . . ?
Au1 Ge1 N4 Si4 32.1(4) . . . . ?
Au1 Ge1 N3 Si1 41.0(4) . . . . ?
Au1 Ge1 N3 Si2 -119.0(3) . . . . ?
Al1 O3 C49 C51 179.4(10) . . . . ?
Al1 O3 C49 C50 72.5(19) . . . . ?
Al1 O3 C49 C52 -50(2) . . . . ?
Al1 O1 C41 C44 13.6(19) . . . . ?
Al1 O1 C41 C42 140.6(12) . . . . ?
Al1 O1 C41 C43 -93.0(15) . . . . ?
Al1 O4 C53 C55 1(3) . . . . ?
Al1 O4 C53 C56 120(2) . . . . ?
Al1 O4 C53 C54 -124(2) . . . . ?
Al1 O2 C45 C47 -170(2) . . . . ?
Al1 O2 C45 C48 -52(3) . . . . ?
Al1 O2 C45 C46 69(3) . . . . ?
N1 C5 C10 C9 -176.8(6) . . . . ?
N1 C5 C10 C14 4.8(10) . . . . ?
N1 C5 C6 C11 -2.0(10) . . . . ?
N1 C5 C6 C7 177.0(6) . . . . ?
N1 C3 C4 N2 -0.3(8) . . . . ?
N2 C17 C22 C26 1.2(8) . . . . ?
N2 C17 C22 C21 -179.6(5) . . . . ?
N2 C17 C18 C23 0.3(8) . . . . ?
N2 C17 C18 C19 -179.8(5) . . . . ?
O3 Al1 O1 C41 174.7(13) . . . . ?
O3 Al1 O4 C53 39(2) . . . . ?
O3 Al1 O2 C45 -1(3) . . . . ?
O3 C49 C51 F23 -24(2) . . . . ?
O3 C49 C51 F22 -177.6(11) . . . . ?
O3 C49 C51 F24 79.9(10) . . . . ?
O3 C49 C50 F20 -51.3(16) . . . . ?
O3 C49 C50 F19 -170.2(11) . . . . ?
O3 C49 C50 F21 78.6(11) . . . . ?
O3 C49 C52 F27 74.6(14) . . . . ?
O3 C49 C52 F26 -38.5(18) . . . . ?
O3 C49 C52 F25 -168.1(15) . . . . ?
C2 N1 C5 C10 -108.4(7) . . . . ?
C2 N1 C5 C6 76.3(8) . . . . ?
C2 N1 C3 C4 0.2(8) . . . . ?
C2 N2 C17 C22 -95.2(7) . . . . ?
C2 N2 C17 C18 87.3(7) . . . . ?
C2 N2 C4 C3 0.2(8) . . . . ?
N4 Ge1 N3 Si1 -139.1(3) . . . . ?
N4 Ge1 N3 Si2 60.9(4) . . . . ?
O1 Al1 O3 C49 1.6(17) . . . . ?
O1 Al1 O4 C53 156(2) . . . . ?
O1 Al1 O2 C45 -120(3) . . . . ?
O1 C41 C44 F6 -19.7(16) . . . . ?
O1 C41 C44 F4 -174.1(11) . . . . ?
O1 C41 C44 F5 81.6(9) . . . . ?
O1 C41 C42 F8 -38.9(14) . . . . ?
O1 C41 C42 F9 76.0(9) . . . . ?
O1 C41 C42 F7 -165.1(10) . . . . ?
O1 C41 C43 F2 -49.8(12) . . . . ?
O1 C41 C43 F3 84.1(11) . . . . ?
O1 C41 C43 F1 -156.5(9) . . . . ?
C17 N2 C2 Au1 -1.9(8) . . . . ?
C17 N2 C2 N1 177.4(5) . . . . ?
C17 N2 C4 C3 -177.3(6) . . . . ?
C17 C22 C21 C20 -0.6(10) . . . . ?
C17 C18 C19 C20 -0.7(10) . . . . ?
O4 Al1 O3 C49 119.5(17) . . . . ?
O4 Al1 O1 C41 55.3(14) . . . . ?
O4 Al1 O2 C45 121(3) . . . . ?
O4 C53 C55 F31 164.8(9) . . . . ?
O4 C53 C55 F33 27.7(14) . . . . ?
O4 C53 C55 F32 -79.6(10) . . . . ?
O4 C53 C56 F36 166.5(9) . . . . ?
O4 C53 C56 F34 -82.9(9) . . . . ?
O4 C53 C56 F35 35.0(14) . . . . ?
O4 C53 C54 F29 -74.2(11) . . . . ?
O4 C53 C54 F28 165.3(14) . . . . ?
O4 C53 C54 F30 38.1(15) . . . . ?
N3 Ge1 N4 Si3 42.0(4) . . . . ?
N3 Ge1 N4 Si4 -147.9(3) . . . . ?
C5 N1 C2 Au1 2.0(9) . . . . ?
C5 N1 C2 N2 -177.3(6) . . . . ?
C5 N1 C3 C4 177.5(6) . . . . ?
C5 C10 C9 C8 0.2(12) . . . . ?
C5 C10 C14 C15 86.3(10) . . . . ?
C5 C10 C14 C16 -148.0(9) . . . . ?
C5 C6 C11 C12 -121.1(8) . . . . ?
C5 C6 C11 C13 115.3(9) . . . . ?
C5 C6 C7 C8 -0.7(13) . . . . ?
O2 Al1 O3 C49 -119.4(17) . . . . ?
O2 Al1 O1 C41 -63.9(14) . . . . ?
O2 Al1 O4 C53 -84(2) . . . . ?
O2 C45 C47 F15 44.8(13) . . . . ?
O2 C45 C47 F13 -75.8(12) . . . . ?
O2 C45 C47 F14 169.9(9) . . . . ?
O2 C45 C48 F17 -71.0(10) . . . . ?
O2 C45 C48 F18 45.7(11) . . . . ?
O2 C45 C48 F16 167.8(9) . . . . ?
O2 C45 C46 F12 -73.9(11) . . . . ?
O2 C45 C46 F10 46.3(14) . . . . ?
O2 C45 C46 F11 168.3(10) . . . . ?
C26 C22 C21 C20 178.6(7) . . . . ?
C3 N1 C2 Au1 179.2(5) . . . . ?
C3 N1 C2 N2 -0.1(7) . . . . ?
C3 N1 C5 C10 74.7(8) . . . . ?
C3 N1 C5 C6 -100.6(8) . . . . ?
C10 C5 C6 C11 -176.9(7) . . . . ?
C10 C5 C6 C7 2.0(11) . . . . ?
C10 C9 C8 C7 1.1(15) . . . . ?
C22 C17 C18 C23 -177.1(6) . . . . ?
C22 C17 C18 C19 2.8(9) . . . . ?
C22 C21 C20 C19 2.5(12) . . . . ?
C23 C18 C19 C20 179.2(7) . . . . ?
C4 N2 C2 Au1 -179.4(4) . . . . ?
C4 N2 C2 N1 0.0(7) . . . . ?
C4 N2 C17 C22 82.0(7) . . . . ?
C4 N2 C17 C18 -95.6(7) . . . . ?
C18 C17 C22 C26 178.7(6) . . . . ?
C18 C17 C22 C21 -2.1(9) . . . . ?
C18 C19 C20 C21 -1.9(12) . . . . ?
C34 Si2 N3 Ge1 -118.3(5) . . . . ?
C34 Si2 N3 Si1 82.8(5) . . . . ?
C6 C5 C10 C9 -1.8(11) . . . . ?
C6 C5 C10 C14 179.8(7) . . . . ?
C6 C7 C8 C9 -0.8(16) . . . . ?
C9 C10 C14 C15 -92.0(10) . . . . ?
C9 C10 C14 C16 33.7(12) . . . . ?
C14 C10 C9 C8 178.6(8) . . . . ?
C27 C26 C22 C17 103.7(8) . . . . ?
C27 C26 C22 C21 -75.4(9) . . . . ?
C11 C6 C7 C8 178.3(9) . . . . ?
C30 Si1 N3 Ge1 37.3(4) . . . . ?
C30 Si1 N3 Si2 -162.7(4) . . . . ?
C47 C45 C48 F17 46.7(11) . . . . ?
C47 C45 C48 F18 163.4(9) . . . . ?
C47 C45 C48 F16 -74.5(11) . . . . ?
C47 C45 C46 F12 166.3(10) . . . . ?
C47 C45 C46 F10 -73.4(13) . . . . ?
C47 C45 C46 F11 48.5(13) . . . . ?
C29 Si1 N3 Ge1 -82.1(4) . . . . ?
C29 Si1 N3 Si2 77.9(5) . . . . ?
C25 C23 C18 C17 131.6(7) . . . . ?
C25 C23 C18 C19 -48.2(9) . . . . ?
C38 Si4 N4 Ge1 44.8(5) . . . . ?
C38 Si4 N4 Si3 -144.8(5) . . . . ?
C24 C23 C18 C17 -103.9(7) . . . . ?
C24 C23 C18 C19 76.2(9) . . . . ?
C28 C26 C22 C17 -136.1(7) . . . . ?
C28 C26 C22 C21 44.8(10) . . . . ?
C55 C53 C56 F36 -71.0(11) . . . . ?
C55 C53 C56 F34 39.6(10) . . . . ?
C55 C53 C56 F35 157.5(12) . . . . ?
C55 C53 C54 F29 158.8(9) . . . . ?
C55 C53 C54 F28 38.3(19) . . . . ?
C55 C53 C54 F30 -89.0(13) . . . . ?
C7 C6 C11 C12 60.0(11) . . . . ?
C7 C6 C11 C13 -63.6(11) . . . . ?
C48 C45 C47 F15 -74.7(12) . . . . ?
C48 C45 C47 F13 164.8(10) . . . . ?
C48 C45 C47 F14 50.4(12) . . . . ?
C48 C45 C46 F12 47.7(12) . . . . ?
C48 C45 C46 F10 167.9(11) . . . . ?
C48 C45 C46 F11 -70.2(13) . . . . ?
C35 Si3 N4 Ge1 8.2(6) . . . . ?
C35 Si3 N4 Si4 -161.4(5) . . . . ?
C37 Si3 N4 Ge1 -115.4(5) . . . . ?
C37 Si3 N4 Si4 75.1(6) . . . . ?
C39 Si4 N4 Ge1 -76.1(5) . . . . ?
C39 Si4 N4 Si3 94.3(5) . . . . ?
C44 C41 C42 F8 89.9(13) . . . . ?
C44 C41 C42 F9 -155.2(8) . . . . ?
C44 C41 C42 F7 -36.3(15) . . . . ?
C44 C41 C43 F2 -168.9(10) . . . . ?
C44 C41 C43 F3 -35.0(11) . . . . ?
C44 C41 C43 F1 84.5(11) . . . . ?
C36 Si3 N4 Ge1 126.0(6) . . . . ?
C36 Si3 N4 Si4 -43.5(7) . . . . ?
C33 Si2 N3 Ge1 3.6(5) . . . . ?
C33 Si2 N3 Si1 -155.3(5) . . . . ?
C32 Si2 N3 Ge1 120.0(5) . . . . ?
C32 Si2 N3 Si1 -38.9(6) . . . . ?
C31 Si1 N3 Ge1 155.5(5) . . . . ?
C31 Si1 N3 Si2 -44.5(6) . . . . ?
C56 C53 C55 F31 47.0(13) . . . . ?
C56 C53 C55 F33 -90.1(12) . . . . ?
C56 C53 C55 F32 162.6(8) . . . . ?
C56 C53 C54 F29 41.0(11) . . . . ?
C56 C53 C54 F28 -79.5(17) . . . . ?
C56 C53 C54 F30 153.3(12) . . . . ?
C40 Si4 N4 Ge1 159.7(7) . . . . ?
C40 Si4 N4 Si3 -29.9(8) . . . . ?
C46 C45 C47 F15 167.4(11) . . . . ?
C46 C45 C47 F13 46.8(12) . . . . ?
C46 C45 C47 F14 -67.5(12) . . . . ?
C46 C45 C48 F17 166.2(9) . . . . ?
C46 C45 C48 F18 -77.1(11) . . . . ?
C46 C45 C48 F16 45.0(12) . . . . ?
C42 C41 C44 F6 -145.1(12) . . . . ?
C42 C41 C44 F4 60.5(15) . . . . ?
C42 C41 C44 F5 -43.8(9) . . . . ?
C42 C41 C43 F2 71.8(13) . . . . ?
C42 C41 C43 F3 -154.3(10) . . . . ?
C42 C41 C43 F1 -34.8(14) . . . . ?
C43 C41 C44 F6 92.2(13) . . . . ?
C43 C41 C44 F4 -62.2(14) . . . . ?
C43 C41 C44 F5 -166.5(7) . . . . ?
C43 C41 C42 F8 -159.0(11) . . . . ?
C43 C41 C42 F9 -44.1(11) . . . . ?
C43 C41 C42 F7 74.7(15) . . . . ?
C51 C49 C50 F20 -164.5(14) . . . . ?
C51 C49 C50 F19 76.6(14) . . . . ?
C51 C49 C50 F21 -34.6(12) . . . . ?
C51 C49 C52 F27 -159.2(11) . . . . ?
C51 C49 C52 F26 87.7(15) . . . . ?
C51 C49 C52 F25 -42(2) . . . . ?
C50 C49 C51 F23 89(2) . . . . ?
C50 C49 C51 F22 -64.2(14) . . . . ?
C50 C49 C51 F24 -166.7(10) . . . . ?
C50 C49 C52 F27 -47.4(13) . . . . ?
C50 C49 C52 F26 -160.5(13) . . . . ?
C50 C49 C52 F25 70(2) . . . . ?
C54 C53 C55 F31 -69.1(13) . . . . ?
C54 C53 C55 F33 153.7(11) . . . . ?
C54 C53 C55 F32 46.5(11) . . . . ?
C54 C53 C56 F36 47.4(12) . . . . ?
C54 C53 C56 F34 158.0(9) . . . . ?
C54 C53 C56 F35 -84.1(14) . . . . ?
C52 C49 C51 F23 -152.7(18) . . . . ?
C52 C49 C51 F22 53.9(17) . . . . ?
C52 C49 C51 F24 -48.6(13) . . . . ?
C52 C49 C50 F20 73.3(16) . . . . ?
C52 C49 C50 F19 -45.6(16) . . . . ?
C52 C49 C50 F21 -156.8(11) . . . . ?

_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_mo_230318_nnhc_zr_4_0m
_database_code_depnum_ccdc_archive 'CCDC 2401594'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-03-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H72 Au Cl Ge N4 Si4, 2(C7 H8)'
_chemical_formula_sum            'C53 H88 Au Cl Ge N4 Si4'
_chemical_formula_weight         1198.64
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4734(4)
_cell_length_b                   13.2785(4)
_cell_length_c                   19.7989(6)
_cell_angle_alpha                86.7530(10)
_cell_angle_beta                 81.1060(10)
_cell_angle_gamma                84.3230(10)
_cell_volume                     2962.84(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.834
_shelx_estimated_absorpt_T_min   0.463
_exptl_absorpt_coefficient_mu    3.142
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0809 before and 0.0496 after correction.
The Ratio of minimum to maximum transmission is 0.7782.
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    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            64553
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         2.215
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_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                10263
_reflns_number_total             10641
_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 V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.530
_refine_diff_density_min         -0.884
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         10641
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0225
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0249P)²+4.3870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0553
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 Au1, Ge1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3.a Ternary CH refined with riding coordinates:
 C10(H10), C13(H13), C22(H22), C25(H25)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C18(H18), C19(H19), C20(H20),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C48(H48), C49(H49), C50(H50),
  C51(H51), C52(H52)
3.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,
 H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,
 H38B,H38C), C39(H39A,H39B,H39C), C46(H46A,H46B,H46C), C53(H53A,H53B,H53C)
;
_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 0.71071(2) 0.54211(2) 0.74743(2) 0.02126(4) Uani 1 1 d . U . . .
Ge1 Ge 0.79945(2) 0.37327(2) 0.76735(2) 0.02131(6) Uani 1 1 d . U . . .
Cl1 Cl 0.68528(6) 0.29404(6) 0.85287(4) 0.03501(15) Uani 1 1 d . . . . .
Si1 Si 0.71581(7) 0.29796(6) 0.64310(4) 0.02850(16) Uani 1 1 d . . . . .
Si2 Si 0.88514(7) 0.15333(6) 0.71097(4) 0.02791(16) Uani 1 1 d . . . . .
Si3 Si 0.93773(7) 0.38761(7) 0.88971(4) 0.03511(19) Uani 1 1 d . . . . .
Si4 Si 1.05993(6) 0.41812(6) 0.74321(4) 0.02835(16) Uani 1 1 d . . . . .
N1 N 0.59642(19) 0.75320(16) 0.78822(11) 0.0219(4) Uani 1 1 d . . . . .
N2 N 0.6106(2) 0.74141(16) 0.67983(11) 0.0230(4) Uani 1 1 d . . . . .
N3 N 0.81685(19) 0.27520(16) 0.70102(11) 0.0238(4) Uani 1 1 d . . . . .
N4 N 0.94363(19) 0.37551(17) 0.80187(11) 0.0247(5) Uani 1 1 d . . . . .
C1 C 0.6362(2) 0.68821(19) 0.73706(12) 0.0214(5) Uani 1 1 d . . . . .
C2 C 0.5451(3) 0.8430(2) 0.76340(14) 0.0290(6) Uani 1 1 d . . . . .
H2 H 0.509609 0.898841 0.789550 0.035 Uiso 1 1 calc R U . . .
C3 C 0.5547(3) 0.8368(2) 0.69506(14) 0.0294(6) Uani 1 1 d . . . . .
H3 H 0.528509 0.887478 0.663584 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5929(2) 0.72762(19) 0.86079(12) 0.0228(5) Uani 1 1 d . . . . .
C5 C 0.6742(2) 0.7676(2) 0.89556(13) 0.0253(5) Uani 1 1 d . . . . .
C6 C 0.6626(3) 0.7481(2) 0.96596(14) 0.0327(6) Uani 1 1 d . . . . .
H6 H 0.716466 0.773391 0.991292 0.039 Uiso 1 1 calc R U . . .
C7 C 0.5737(3) 0.6924(2) 0.99958(15) 0.0381(7) Uani 1 1 d . . . . .
H7 H 0.566795 0.680583 1.047742 0.046 Uiso 1 1 calc R U . . .
C8 C 0.4955(3) 0.6542(2) 0.96414(15) 0.0372(7) Uani 1 1 d . . . . .
H8 H 0.435840 0.615167 0.987998 0.045 Uiso 1 1 calc R U . . .
C9 C 0.5024(2) 0.6718(2) 0.89318(14) 0.0283(6) Uani 1 1 d . . . . .
C10 C 0.7718(3) 0.8286(2) 0.85805(15) 0.0331(6) Uani 1 1 d . . . . .
H10 H 0.738945 0.867124 0.819256 0.040 Uiso 1 1 calc R U . . .
C11 C 0.8759(4) 0.7590(3) 0.8270(3) 0.0658(12) Uani 1 1 d . . . . .
H11A H 0.912879 0.721911 0.863590 0.099 Uiso 1 1 calc R U . . .
H11B H 0.933893 0.799106 0.798749 0.099 Uiso 1 1 calc R U . . .
H11C H 0.848541 0.710850 0.798558 0.099 Uiso 1 1 calc R U . . .
C12 C 0.8107(3) 0.9061(3) 0.90152(19) 0.0496(9) Uani 1 1 d . . . . .
H12A H 0.741277 0.949056 0.921945 0.074 Uiso 1 1 calc R U . . .
H12B H 0.865925 0.948202 0.872762 0.074 Uiso 1 1 calc R U . . .
H12C H 0.850079 0.870993 0.937881 0.074 Uiso 1 1 calc R U . . .
C13 C 0.4115(3) 0.6329(2) 0.85527(16) 0.0348(7) Uani 1 1 d . . . . .
H13 H 0.436043 0.647247 0.805230 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4064(3) 0.5189(3) 0.8668(2) 0.0483(8) Uani 1 1 d . . . . .
H14A H 0.485208 0.484339 0.852604 0.072 Uiso 1 1 calc R U . . .
H14B H 0.350129 0.496047 0.839730 0.072 Uiso 1 1 calc R U . . .
H14C H 0.380676 0.502985 0.915413 0.072 Uiso 1 1 calc R U . . .
C15 C 0.2892(3) 0.6896(3) 0.8761(2) 0.0568(10) Uani 1 1 d . . . . .
H15A H 0.265679 0.680744 0.925665 0.085 Uiso 1 1 calc R U . . .
H15B H 0.231128 0.662397 0.852342 0.085 Uiso 1 1 calc R U . . .
H15C H 0.292782 0.761825 0.863667 0.085 Uiso 1 1 calc R U . . .
C16 C 0.6338(2) 0.7064(2) 0.61070(13) 0.0251(5) Uani 1 1 d . . . . .
C17 C 0.7442(3) 0.7188(2) 0.57190(14) 0.0316(6) Uani 1 1 d . . . . .
C18 C 0.7607(3) 0.6906(3) 0.50388(16) 0.0400(7) Uani 1 1 d . . . . .
H18 H 0.834584 0.698241 0.475829 0.048 Uiso 1 1 calc R U . . .
C19 C 0.6720(3) 0.6522(3) 0.47690(15) 0.0387(7) Uani 1 1 d . . . . .
H19 H 0.685139 0.633647 0.430497 0.046 Uiso 1 1 calc R U . . .
C20 C 0.5637(3) 0.6401(2) 0.51657(15) 0.0334(6) Uani 1 1 d . . . . .
H20 H 0.503524 0.612857 0.497178 0.040 Uiso 1 1 calc R U . . .
C21 C 0.5415(2) 0.6674(2) 0.58459(13) 0.0264(6) Uani 1 1 d . . . . .
C22 C 0.8420(3) 0.7650(3) 0.60031(17) 0.0449(8) Uani 1 1 d . . . . .
H22 H 0.821562 0.765495 0.651261 0.054 Uiso 1 1 calc R U . . .
C23 C 0.9612(4) 0.7036(4) 0.5824(3) 0.0798(15) Uani 1 1 d . . . . .
H23A H 0.955769 0.634142 0.601298 0.120 Uiso 1 1 calc R U . . .
H23B H 1.021952 0.734637 0.601722 0.120 Uiso 1 1 calc R U . . .
H23C H 0.982444 0.702594 0.532501 0.120 Uiso 1 1 calc R U . . .
C24 C 0.8511(4) 0.8740(3) 0.5724(3) 0.0712(12) Uani 1 1 d . . . . .
H24A H 0.872601 0.874539 0.522556 0.107 Uiso 1 1 calc R U . . .
H24B H 0.911931 0.903842 0.592488 0.107 Uiso 1 1 calc R U . . .
H24C H 0.774596 0.913500 0.584372 0.107 Uiso 1 1 calc R U . . .
C25 C 0.4244(2) 0.6496(2) 0.62952(14) 0.0297(6) Uani 1 1 d . . . . .
H25 H 0.408833 0.702090 0.664913 0.036 Uiso 1 1 calc R U . . .
C26 C 0.4325(3) 0.5466(3) 0.66632(17) 0.0394(7) Uani 1 1 d . . . . .
H26A H 0.442568 0.493605 0.632876 0.059 Uiso 1 1 calc R U . . .
H26B H 0.359690 0.539328 0.698649 0.059 Uiso 1 1 calc R U . . .
H26C H 0.500468 0.540244 0.691262 0.059 Uiso 1 1 calc R U . . .
C27 C 0.3193(3) 0.6592(3) 0.58970(18) 0.0478(8) Uani 1 1 d . . . . .
H27A H 0.317412 0.724008 0.563456 0.072 Uiso 1 1 calc R U . . .
H27B H 0.245517 0.656174 0.621812 0.072 Uiso 1 1 calc R U . . .
H27C H 0.327814 0.603517 0.558354 0.072 Uiso 1 1 calc R U . . .
C28 C 0.5619(3) 0.2987(3) 0.69029(19) 0.0430(8) Uani 1 1 d . . . . .
H28A H 0.552461 0.234102 0.716117 0.065 Uiso 1 1 calc R U . . .
H28B H 0.505311 0.308147 0.657602 0.065 Uiso 1 1 calc R U . . .
H28C H 0.546973 0.354243 0.721955 0.065 Uiso 1 1 calc R U . . .
C29 C 0.7376(3) 0.4180(2) 0.59064(15) 0.0345(6) Uani 1 1 d . . . . .
H29A H 0.733073 0.474477 0.620994 0.052 Uiso 1 1 calc R U . . .
H29B H 0.675775 0.430481 0.561370 0.052 Uiso 1 1 calc R U . . .
H29C H 0.815554 0.411890 0.562048 0.052 Uiso 1 1 calc R U . . .
C30 C 0.7310(4) 0.1987(3) 0.57733(18) 0.0494(9) Uani 1 1 d . . . . .
H30A H 0.806684 0.201947 0.546976 0.074 Uiso 1 1 calc R U . . .
H30B H 0.665790 0.210907 0.550380 0.074 Uiso 1 1 calc R U . . .
H30C H 0.728416 0.131481 0.600398 0.074 Uiso 1 1 calc R U . . .
C31 C 0.7737(3) 0.0573(2) 0.72924(18) 0.0423(7) Uani 1 1 d . . . . .
H31A H 0.725788 0.068777 0.774043 0.063 Uiso 1 1 calc R U . . .
H31B H 0.815008 -0.010926 0.729400 0.063 Uiso 1 1 calc R U . . .
H31C H 0.722157 0.063881 0.693826 0.063 Uiso 1 1 calc R U . . .
C32 C 0.9930(3) 0.1204(3) 0.63249(19) 0.0469(8) Uani 1 1 d . . . . .
H32A H 0.955173 0.137776 0.591729 0.070 Uiso 1 1 calc R U . . .
H32B H 1.017820 0.047639 0.634261 0.070 Uiso 1 1 calc R U . . .
H32C H 1.062446 0.158542 0.630441 0.070 Uiso 1 1 calc R U . . .
C33 C 0.9702(3) 0.1345(2) 0.78443(19) 0.0430(8) Uani 1 1 d . . . . .
H33A H 1.030005 0.183273 0.779641 0.065 Uiso 1 1 calc R U . . .
H33B H 1.009411 0.065459 0.784902 0.065 Uiso 1 1 calc R U . . .
H33C H 0.915972 0.144720 0.827328 0.065 Uiso 1 1 calc R U . . .
C34 C 0.8135(3) 0.4819(3) 0.92381(16) 0.0416(7) Uani 1 1 d . . . . .
H34A H 0.827496 0.548983 0.902590 0.062 Uiso 1 1 calc R U . . .
H34B H 0.809355 0.484300 0.973511 0.062 Uiso 1 1 calc R U . . .
H34C H 0.738667 0.461849 0.913182 0.062 Uiso 1 1 calc R U . . .
C35 C 0.9244(4) 0.2653(3) 0.94131(17) 0.0542(10) Uani 1 1 d . . . . .
H35A H 0.848842 0.239274 0.937469 0.081 Uiso 1 1 calc R U . . .
H35B H 0.927699 0.276952 0.989390 0.081 Uiso 1 1 calc R U . . .
H35C H 0.989830 0.215831 0.924023 0.081 Uiso 1 1 calc R U . . .
C36 C 1.0781(4) 0.4316(5) 0.9107(2) 0.0832(17) Uani 1 1 d . . . . .
H36A H 1.146373 0.390460 0.887113 0.125 Uiso 1 1 calc R U . . .
H36B H 1.078279 0.424318 0.960200 0.125 Uiso 1 1 calc R U . . .
H36C H 1.082896 0.502832 0.895672 0.125 Uiso 1 1 calc R U . . .
C37 C 1.0802(3) 0.5548(2) 0.7532(2) 0.0450(8) Uani 1 1 d . . . . .
H37A H 1.007034 0.596603 0.746978 0.068 Uiso 1 1 calc R U . . .
H37B H 1.145284 0.575646 0.718820 0.068 Uiso 1 1 calc R U . . .
H37C H 1.098872 0.563448 0.799079 0.068 Uiso 1 1 calc R U . . .
C38 C 1.0321(3) 0.4148(2) 0.65135(15) 0.0358(7) Uani 1 1 d . . . . .
H38A H 1.031929 0.344273 0.639171 0.054 Uiso 1 1 calc R U . . .
H38B H 1.094798 0.446748 0.620810 0.054 Uiso 1 1 calc R U . . .
H38C H 0.955208 0.451539 0.646658 0.054 Uiso 1 1 calc R U . . .
C39 C 1.2029(3) 0.3386(3) 0.7494(2) 0.0477(8) Uani 1 1 d . . . . .
H39A H 1.223675 0.342457 0.795316 0.072 Uiso 1 1 calc R U . . .
H39B H 1.265878 0.363892 0.715354 0.072 Uiso 1 1 calc R U . . .
H39C H 1.193807 0.268116 0.740754 0.072 Uiso 1 1 calc R U . . .
C40 C 0.2743(4) 0.9412(4) 0.6016(2) 0.0656(12) Uani 1 1 d . . . . .
H40 H 0.239658 0.894467 0.577838 0.079 Uiso 1 1 calc R U . . .
C41 C 0.3471(5) 1.0070(6) 0.5655(3) 0.099(2) Uani 1 1 d . . . . .
H41 H 0.363834 1.006863 0.516987 0.119 Uiso 1 1 calc R U . . .
C42 C 0.3975(5) 1.0763(5) 0.6030(5) 0.115(3) Uani 1 1 d . . . . .
H42 H 0.449252 1.123139 0.580144 0.138 Uiso 1 1 calc R U . . .
C43 C 0.3697(5) 1.0733(4) 0.6712(5) 0.097(2) Uani 1 1 d . . . . .
H43 H 0.401913 1.119715 0.696468 0.117 Uiso 1 1 calc R U . . .
C44 C 0.2989(4) 1.0082(4) 0.7051(3) 0.0684(12) Uani 1 1 d . . . . .
H44 H 0.282459 1.008851 0.753585 0.082 Uiso 1 1 calc R U . . .
C45 C 0.2502(3) 0.9415(3) 0.6722(2) 0.0537(9) Uani 1 1 d . . . . .
C46 C 0.1691(5) 0.8684(4) 0.7107(3) 0.0957(18) Uani 1 1 d . . . . .
H46A H 0.088779 0.884927 0.699785 0.144 Uiso 1 1 calc R U . . .
H46B H 0.168131 0.873441 0.760001 0.144 Uiso 1 1 calc R U . . .
H46C H 0.197550 0.799252 0.697454 0.144 Uiso 1 1 calc R U . . .
C47 C 0.2534(3) 1.0104(3) 0.91283(19) 0.0504(9) Uani 1 1 d . . . . .
C48 C 0.2694(4) 1.1003(3) 0.87807(19) 0.0515(9) Uani 1 1 d . . . . .
H48 H 0.203303 1.139380 0.863424 0.062 Uiso 1 1 calc R U . . .
C49 C 0.3817(4) 1.1366(3) 0.8633(2) 0.0639(11) Uani 1 1 d . . . . .
H49 H 0.390858 1.199187 0.838269 0.077 Uiso 1 1 calc R U . . .
C50 C 0.4771(4) 1.0832(4) 0.8845(2) 0.0643(12) Uani 1 1 d . . . . .
H50 H 0.553416 1.107269 0.874427 0.077 Uiso 1 1 calc R U . . .
C51 C 0.4599(4) 0.9898(4) 0.9222(2) 0.0654(12) Uani 1 1 d . . . . .
H51 H 0.525387 0.951541 0.938110 0.078 Uiso 1 1 calc R U . . .
C52 C 0.3525(4) 0.9555(3) 0.93549(19) 0.0531(9) Uani 1 1 d . . . . .
H52 H 0.342980 0.892976 0.960628 0.064 Uiso 1 1 calc R U . . .
C53 C 0.1343(4) 0.9730(4) 0.9271(3) 0.0751(13) Uani 1 1 d . . . . .
H53A H 0.129444 0.919828 0.895561 0.113 Uiso 1 1 calc R U . . .
H53B H 0.074060 1.029038 0.920959 0.113 Uiso 1 1 calc R U . . .
H53C H 0.120525 0.945307 0.974337 0.113 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 2.4063(3) . ?
Au1 C1 2.054(3) . ?
Ge1 Cl1 2.2527(7) . ?
Ge1 N3 1.877(2) . ?
Ge1 N4 1.888(2) . ?
Si1 N3 1.747(2) . ?
Si1 C28 1.865(3) . ?
Si1 C29 1.869(3) . ?
Si1 C30 1.882(3) . ?
Si2 N3 1.741(2) . ?
Si2 C31 1.876(3) . ?
Si2 C32 1.874(3) . ?
Si2 C33 1.866(3) . ?
Si3 N4 1.746(2) . ?
Si3 C34 1.871(3) . ?
Si3 C35 1.875(4) . ?
Si3 C36 1.878(4) . ?
Si4 N4 1.745(2) . ?
Si4 C37 1.878(3) . ?
Si4 C38 1.898(3) . ?
Si4 C39 1.877(3) . ?
N1 C1 1.363(3) . ?
N1 C2 1.376(3) . ?
N1 C4 1.453(3) . ?
N2 C1 1.356(3) . ?
N2 C3 1.389(3) . ?
N2 C16 1.448(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.347(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.402(4) . ?
C4 C9 1.390(4) . ?
C5 C6 1.391(4) . ?
C5 C10 1.521(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.383(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.372(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.402(4) . ?
C9 C13 1.519(4) . ?
C10 H10 1.0000 . ?
C10 C11 1.509(5) . ?
C10 C12 1.519(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 1.0000 . ?
C13 C14 1.524(5) . ?
C13 C15 1.534(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.396(4) . ?
C16 C21 1.401(4) . ?
C17 C18 1.398(4) . ?
C17 C22 1.523(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(4) . ?
C21 C25 1.524(4) . ?
C22 H22 1.0000 . ?
C22 C23 1.524(6) . ?
C22 C24 1.527(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.515(4) . ?
C25 C27 1.531(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40 0.9500 . ?
C40 C41 1.364(8) . ?
C40 C45 1.384(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.431(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.338(10) . ?
C43 H43 0.9500 . ?
C43 C44 1.327(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.340(6) . ?
C45 C46 1.504(7) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.357(5) . ?
C47 C52 1.408(5) . ?
C47 C53 1.481(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.403(6) . ?
C49 H49 0.9500 . ?
C49 C50 1.352(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.426(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.339(6) . ?
C52 H52 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 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
C1 Au1 Ge1 176.14(7) . . ?
Cl1 Ge1 Au1 109.68(2) . . ?
N3 Ge1 Au1 121.69(7) . . ?
N3 Ge1 Cl1 99.47(7) . . ?
N3 Ge1 N4 109.55(10) . . ?
N4 Ge1 Au1 111.23(7) . . ?
N4 Ge1 Cl1 103.04(7) . . ?
N3 Si1 C28 109.47(13) . . ?
N3 Si1 C29 112.08(13) . . ?
N3 Si1 C30 113.57(14) . . ?
C28 Si1 C29 111.40(15) . . ?
C28 Si1 C30 106.49(17) . . ?
C29 Si1 C30 103.62(15) . . ?
N3 Si2 C31 111.49(13) . . ?
N3 Si2 C32 110.19(14) . . ?
N3 Si2 C33 114.58(13) . . ?
C32 Si2 C31 110.09(16) . . ?
C33 Si2 C31 103.83(16) . . ?
C33 Si2 C32 106.36(17) . . ?
N4 Si3 C34 111.18(13) . . ?
N4 Si3 C35 114.01(15) . . ?
N4 Si3 C36 111.82(16) . . ?
C34 Si3 C35 109.09(17) . . ?
C34 Si3 C36 107.2(2) . . ?
C35 Si3 C36 103.1(2) . . ?
N4 Si4 C37 112.35(14) . . ?
N4 Si4 C38 112.43(12) . . ?
N4 Si4 C39 111.61(14) . . ?
C37 Si4 C38 103.57(16) . . ?
C39 Si4 C37 109.62(17) . . ?
C39 Si4 C38 106.84(16) . . ?
C1 N1 C2 111.3(2) . . ?
C1 N1 C4 125.0(2) . . ?
C2 N1 C4 123.1(2) . . ?
C1 N2 C3 111.4(2) . . ?
C1 N2 C16 126.5(2) . . ?
C3 N2 C16 122.1(2) . . ?
Si1 N3 Ge1 113.33(12) . . ?
Si2 N3 Ge1 123.95(12) . . ?
Si2 N3 Si1 119.11(12) . . ?
Si3 N4 Ge1 118.13(12) . . ?
Si4 N4 Ge1 114.96(12) . . ?
Si4 N4 Si3 121.36(13) . . ?
N1 C1 Au1 126.82(18) . . ?
N2 C1 Au1 129.30(18) . . ?
N2 C1 N1 103.8(2) . . ?
N1 C2 H2 126.4 . . ?
C3 C2 N1 107.1(2) . . ?
C3 C2 H2 126.4 . . ?
N2 C3 H3 126.9 . . ?
C2 C3 N2 106.2(2) . . ?
C2 C3 H3 126.9 . . ?
C5 C4 N1 118.4(2) . . ?
C9 C4 N1 117.9(2) . . ?
C9 C4 C5 123.4(2) . . ?
C4 C5 C10 121.6(2) . . ?
C6 C5 C4 117.0(3) . . ?
C6 C5 C10 121.4(3) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 C5 121.0(3) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 H7 119.6 . . ?
C8 C7 C6 120.7(3) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 120.9(3) . . ?
C9 C8 H8 119.5 . . ?
C4 C9 C8 117.0(3) . . ?
C4 C9 C13 122.8(2) . . ?
C8 C9 C13 120.2(3) . . ?
C5 C10 H10 106.9 . . ?
C11 C10 C5 110.5(3) . . ?
C11 C10 H10 106.9 . . ?
C11 C10 C12 111.2(3) . . ?
C12 C10 C5 113.9(3) . . ?
C12 C10 H10 106.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13 107.9 . . ?
C9 C13 C14 111.8(3) . . ?
C9 C13 C15 110.3(3) . . ?
C14 C13 H13 107.9 . . ?
C14 C13 C15 111.0(3) . . ?
C15 C13 H13 107.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 N2 118.5(2) . . ?
C17 C16 C21 123.1(2) . . ?
C21 C16 N2 118.2(2) . . ?
C16 C17 C18 117.0(3) . . ?
C16 C17 C22 122.5(3) . . ?
C18 C17 C22 120.5(3) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.2(3) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(3) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121.0(3) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 C25 121.6(2) . . ?
C20 C21 C16 117.1(3) . . ?
C20 C21 C25 121.2(3) . . ?
C17 C22 H22 108.6 . . ?
C17 C22 C23 111.4(3) . . ?
C17 C22 C24 110.1(3) . . ?
C23 C22 H22 108.6 . . ?
C23 C22 C24 109.6(3) . . ?
C24 C22 H22 108.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 107.8 . . ?
C21 C25 C27 113.1(2) . . ?
C26 C25 C21 110.5(2) . . ?
C26 C25 H25 107.8 . . ?
C26 C25 C27 109.6(3) . . ?
C27 C25 H25 107.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si3 C36 H36A 109.5 . . ?
Si3 C36 H36B 109.5 . . ?
Si3 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si4 C37 H37A 109.5 . . ?
Si4 C37 H37B 109.5 . . ?
Si4 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si4 C39 H39A 109.5 . . ?
Si4 C39 H39B 109.5 . . ?
Si4 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 H40 119.5 . . ?
C41 C40 C45 120.9(5) . . ?
C45 C40 H40 119.5 . . ?
C40 C41 H41 121.0 . . ?
C40 C41 C42 117.9(6) . . ?
C42 C41 H41 121.0 . . ?
C41 C42 H42 120.9 . . ?
C43 C42 C41 118.2(5) . . ?
C43 C42 H42 120.9 . . ?
C42 C43 H43 118.7 . . ?
C44 C43 C42 122.7(6) . . ?
C44 C43 H43 118.7 . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.4(5) . . ?
C45 C44 H44 119.3 . . ?
C40 C45 C46 119.8(4) . . ?
C44 C45 C40 119.0(5) . . ?
C44 C45 C46 121.2(5) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 C52 118.0(4) . . ?
C48 C47 C53 120.4(4) . . ?
C52 C47 C53 121.5(4) . . ?
C47 C48 H48 119.3 . . ?
C47 C48 C49 121.3(4) . . ?
C49 C48 H48 119.3 . . ?
C48 C49 H49 119.7 . . ?
C50 C49 C48 120.6(4) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 120.9 . . ?
C49 C50 C51 118.1(4) . . ?
C51 C50 H50 120.9 . . ?
C50 C51 H51 119.6 . . ?
C52 C51 C50 120.8(4) . . ?
C52 C51 H51 119.6 . . ?
C47 C52 H52 119.5 . . ?
C51 C52 C47 121.1(4) . . ?
C51 C52 H52 119.5 . . ?
C47 C53 H53A 109.5 . . ?
C47 C53 H53B 109.5 . . ?
C47 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 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
Au1 Ge1 N3 Si1 -24.22(15) . . . . ?
Au1 Ge1 N3 Si2 177.51(10) . . . . ?
Au1 Ge1 N4 Si3 83.73(13) . . . . ?
Au1 Ge1 N4 Si4 -70.41(13) . . . . ?
Cl1 Ge1 N3 Si1 96.07(11) . . . . ?
Cl1 Ge1 N3 Si2 -62.20(14) . . . . ?
Cl1 Ge1 N4 Si3 -33.71(14) . . . . ?
Cl1 Ge1 N4 Si4 172.15(10) . . . . ?
N1 C2 C3 N2 1.0(3) . . . . ?
N1 C4 C5 C6 175.2(2) . . . . ?
N1 C4 C5 C10 -5.5(4) . . . . ?
N1 C4 C9 C8 -175.5(2) . . . . ?
N1 C4 C9 C13 2.9(4) . . . . ?
N2 C16 C17 C18 -175.7(3) . . . . ?
N2 C16 C17 C22 1.8(4) . . . . ?
N2 C16 C21 C20 176.1(2) . . . . ?
N2 C16 C21 C25 -7.4(4) . . . . ?
N3 Ge1 N4 Si3 -138.87(13) . . . . ?
N3 Ge1 N4 Si4 66.99(15) . . . . ?
N4 Ge1 N3 Si1 -156.35(12) . . . . ?
N4 Ge1 N3 Si2 45.38(17) . . . . ?
C1 N1 C2 C3 -1.6(3) . . . . ?
C1 N1 C4 C5 108.0(3) . . . . ?
C1 N1 C4 C9 -77.3(3) . . . . ?
C1 N2 C3 C2 -0.1(3) . . . . ?
C1 N2 C16 C17 -87.1(3) . . . . ?
C1 N2 C16 C21 96.7(3) . . . . ?
C2 N1 C1 Au1 -176.31(19) . . . . ?
C2 N1 C1 N2 1.5(3) . . . . ?
C2 N1 C4 C5 -80.9(3) . . . . ?
C2 N1 C4 C9 93.7(3) . . . . ?
C3 N2 C1 Au1 176.87(19) . . . . ?
C3 N2 C1 N1 -0.8(3) . . . . ?
C3 N2 C16 C17 94.4(3) . . . . ?
C3 N2 C16 C21 -81.7(3) . . . . ?
C4 N1 C1 Au1 -4.3(4) . . . . ?
C4 N1 C1 N2 173.5(2) . . . . ?
C4 N1 C2 C3 -173.8(2) . . . . ?
C4 C5 C6 C7 -0.5(4) . . . . ?
C4 C5 C10 C11 -82.3(4) . . . . ?
C4 C5 C10 C12 151.6(3) . . . . ?
C4 C9 C13 C14 125.4(3) . . . . ?
C4 C9 C13 C15 -110.7(3) . . . . ?
C5 C4 C9 C8 -1.2(4) . . . . ?
C5 C4 C9 C13 177.2(3) . . . . ?
C5 C6 C7 C8 0.7(5) . . . . ?
C6 C5 C10 C11 97.0(4) . . . . ?
C6 C5 C10 C12 -29.0(4) . . . . ?
C6 C7 C8 C9 -1.0(5) . . . . ?
C7 C8 C9 C4 1.2(5) . . . . ?
C7 C8 C9 C13 -177.2(3) . . . . ?
C8 C9 C13 C14 -56.3(4) . . . . ?
C8 C9 C13 C15 67.7(4) . . . . ?
C9 C4 C5 C6 0.8(4) . . . . ?
C9 C4 C5 C10 -179.8(3) . . . . ?
C10 C5 C6 C7 -179.9(3) . . . . ?
C16 N2 C1 Au1 -1.7(4) . . . . ?
C16 N2 C1 N1 -179.4(2) . . . . ?
C16 N2 C3 C2 178.5(2) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C16 C17 C22 C23 134.7(4) . . . . ?
C16 C17 C22 C24 -103.6(4) . . . . ?
C16 C21 C25 C26 -85.8(3) . . . . ?
C16 C21 C25 C27 151.0(3) . . . . ?
C17 C16 C21 C20 0.1(4) . . . . ?
C17 C16 C21 C25 176.7(3) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C17 C22 C23 -47.9(5) . . . . ?
C18 C17 C22 C24 73.8(4) . . . . ?
C18 C19 C20 C21 0.5(5) . . . . ?
C19 C20 C21 C16 -0.5(4) . . . . ?
C19 C20 C21 C25 -177.1(3) . . . . ?
C20 C21 C25 C26 90.7(3) . . . . ?
C20 C21 C25 C27 -32.6(4) . . . . ?
C21 C16 C17 C18 0.2(4) . . . . ?
C21 C16 C17 C22 177.7(3) . . . . ?
C22 C17 C18 C19 -177.8(3) . . . . ?
C28 Si1 N3 Ge1 -60.13(17) . . . . ?
C28 Si1 N3 Si2 99.28(17) . . . . ?
C29 Si1 N3 Ge1 63.99(16) . . . . ?
C29 Si1 N3 Si2 -136.59(15) . . . . ?
C30 Si1 N3 Ge1 -179.00(16) . . . . ?
C30 Si1 N3 Si2 -19.6(2) . . . . ?
C31 Si2 N3 Ge1 104.67(17) . . . . ?
C31 Si2 N3 Si1 -52.42(19) . . . . ?
C32 Si2 N3 Ge1 -132.77(17) . . . . ?
C32 Si2 N3 Si1 70.14(19) . . . . ?
C33 Si2 N3 Ge1 -12.9(2) . . . . ?
C33 Si2 N3 Si1 -169.98(16) . . . . ?
C34 Si3 N4 Ge1 -41.13(19) . . . . ?
C34 Si3 N4 Si4 111.28(18) . . . . ?
C35 Si3 N4 Ge1 82.68(19) . . . . ?
C35 Si3 N4 Si4 -124.91(19) . . . . ?
C36 Si3 N4 Ge1 -160.9(2) . . . . ?
C36 Si3 N4 Si4 -8.5(3) . . . . ?
C37 Si4 N4 Ge1 98.68(17) . . . . ?
C37 Si4 N4 Si3 -54.5(2) . . . . ?
C38 Si4 N4 Ge1 -17.69(18) . . . . ?
C38 Si4 N4 Si3 -170.92(15) . . . . ?
C39 Si4 N4 Ge1 -137.73(16) . . . . ?
C39 Si4 N4 Si3 69.0(2) . . . . ?
C40 C41 C42 C43 -0.6(8) . . . . ?
C41 C40 C45 C44 0.4(6) . . . . ?
C41 C40 C45 C46 179.7(5) . . . . ?
C41 C42 C43 C44 0.9(9) . . . . ?
C42 C43 C44 C45 -0.5(8) . . . . ?
C43 C44 C45 C40 -0.2(6) . . . . ?
C43 C44 C45 C46 -179.4(5) . . . . ?
C45 C40 C41 C42 -0.1(7) . . . . ?
C47 C48 C49 C50 -1.0(6) . . . . ?
C48 C47 C52 C51 -1.1(5) . . . . ?
C48 C49 C50 C51 -0.3(6) . . . . ?
C49 C50 C51 C52 0.9(6) . . . . ?
C50 C51 C52 C47 -0.2(6) . . . . ?
C52 C47 C48 C49 1.7(5) . . . . ?
C53 C47 C48 C49 -179.3(4) . . . . ?
C53 C47 C52 C51 179.9(4) . . . . ?

_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_231127_zr_3_0m
_database_code_depnum_ccdc_archive 'CCDC 2401589'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2025-03-31 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2025-03-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Al C16 F36 O4, C43 H76 Au Ge N2 Si4'
_chemical_formula_sum            'C59 H76 Al Au F36 Ge N2 O4 Si4'
_chemical_formula_weight         1970.11
_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 0.0137 0.0067 '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'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   10.6882(6)
_cell_length_b                   20.2536(11)
_cell_length_c                   36.451(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.609(2)
_cell_angle_gamma                90
_cell_volume                     7890.3(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      48.068
_cell_measurement_theta_min      2.837
_shelx_estimated_absorpt_T_max   0.962
_shelx_estimated_absorpt_T_min   0.860
_exptl_absorpt_coefficient_mu    3.881
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.5450
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1545 before and 0.0960 after correction.
The Ratio of minimum to maximum transmission is 0.7255.
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    1.658
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1223
_diffrn_reflns_av_unetI/netI     0.1372
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            62909
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.903
_diffrn_reflns_theta_min         2.109
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24957869999999996
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9109
_reflns_number_total             14219
_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 V8.40B (?, 2016)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.331
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         14219
_refine_ls_number_restraints     735
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0718
_refine_ls_restrained_S_all      1.047
_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)+(0.0685P)²+4.3225P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1628
_refine_ls_wR_factor_ref         0.1859
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C49-C50
 1.53 with sigma of 0.01
 C52-F21
 1.53 with sigma of 0.02
 C52-F6
 1.53 with sigma of 0.02
 C52-F15
 1.53 with sigma of 0.02
 F6-F15 \\sim F15-F21 \\sim F6-F21
 with sigma of 0.02
 F6-C52 \\sim F6A-C52A
 with sigma of 0.02
 F10-C51 \\sim F10A-C51A
 with sigma of 0.02
 F30-C51 \\sim F30A-C51A
 with sigma of 0.02
 F32-C50 \\sim F32A-C50A
 with sigma of 0.02
 F21-C52 \\sim F21A-C52A
 with sigma of 0.02
 F23-C50 \\sim F23A-C50A
 with sigma of 0.02
 F3-C51 \\sim F3A-C51A
 with sigma of 0.02
 O2-C49 \\sim O2-C49A
 with sigma of 0.02
 F15-C52 \\sim F15A-C52A
 with sigma of 0.02
 F17-C50 \\sim F17A-C50A
 with sigma of 0.02
 C49-C50 \\sim C49A-C50A
 with sigma of 0.02
 C49-C51 \\sim C49A-C51A
 with sigma of 0.02
 C49-C52 \\sim C49A-C52A
 with sigma of 0.02
 F6-F21 \\sim F6A-F21A
 with sigma of 0.04
 F6-F15 \\sim F6A-F15A
 with sigma of 0.04
 F6-C49 \\sim F6A-C49A
 with sigma of 0.04
 F10-F30 \\sim F10A-F30A
 with sigma of 0.04
 F10-F3 \\sim F10A-F3A
 with sigma of 0.04
 F10-C49 \\sim F10A-C49A
 with sigma of 0.04
 F30-F3 \\sim F30A-F3A
 with sigma of 0.04
 F30-C49 \\sim F30A-C49A
 with sigma of 0.04
 F32-F23 \\sim F32A-F23A
 with sigma of 0.04
 F32-F17 \\sim F32A-F17A
 with sigma of 0.04
 F32-C49 \\sim F32A-C49A
 with sigma of 0.04
 F21-F15 \\sim F21A-F15A
 with sigma of 0.04
 F21-C49 \\sim F21A-C49A
 with sigma of 0.04
 F23-F17 \\sim F23A-F17A
 with sigma of 0.04
 F23-C49 \\sim F23A-C49A
 with sigma of 0.04
 F3-C49 \\sim F3A-C49A
 with sigma of 0.04
 O2-C50 \\sim O2-C50A
 with sigma of 0.04
 O2-C51 \\sim O2-C51A
 with sigma of 0.04
 O2-C52 \\sim O2-C52A
 with sigma of 0.04
 F15-C49 \\sim F15A-C49A
 with sigma of 0.04
 F17-C49 \\sim F17A-C49A
 with sigma of 0.04
 C50-C51 \\sim C50A-C51A
 with sigma of 0.04
 C50-C52 \\sim C50A-C52A
 with sigma of 0.04
 C51-C52 \\sim C51A-C52A
 with sigma of 0.04
3. Rigid bond restraints
 C51, F3
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F1 \\sim F4 \\sim F6 \\sim F8 \\sim F10 \\sim F12 \\sim F14 \\sim F16 \\sim F18
\\sim F20 \\sim F22 \\sim F24 \\sim F26 \\sim F28 \\sim F30 \\sim Al1 \\sim F32
\\sim F34 \\sim F36 \\sim F9 \\sim F19 \\sim O1 \\sim F5 \\sim F21 \\sim F11
\\sim F23 \\sim F3 \\sim O2 \\sim O3 \\sim O4 \\sim F25 \\sim F13 \\sim F27
\\sim F7 \\sim F29 \\sim F15 \\sim F31 \\sim F2 \\sim F33 \\sim F17 \\sim F35
\\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim C52
\\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim
C60: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
O2 \\sim F10 \\sim F32 \\sim F23 \\sim F17 \\sim C49 \\sim C50 \\sim F6A \\sim
F32A \\sim F23A \\sim F15A \\sim F17A \\sim C50A \\sim C52A \\sim F6 \\sim F30
\\sim F21 \\sim F3 \\sim F15 \\sim C51 \\sim C52 \\sim F10A \\sim F30A \\sim
F21A \\sim F3A \\sim C49A \\sim C51A: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
5. Others
 Sof(F6A)=Sof(F10A)=Sof(F30A)=Sof(F32A)=Sof(F21A)=Sof(F23A)=Sof(F3A)=Sof(F15A)=
 Sof(F17A)=Sof(C49A)=Sof(C50A)=Sof(C51A)=Sof(C52A)=1-FVAR(1)
 Sof(F6)=Sof(F10)=Sof(F30)=Sof(F32)=Sof(F21)=Sof(F23)=Sof(F3)=Sof(F15)=
 Sof(F17)=Sof(C49)=Sof(C50)=Sof(C51)=Sof(C52)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C27(H27), C30(H30), C39(H39), C42(H42)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
6.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C19(H19), C22(H22), C23(H23), C24(H24), C35(H35), C36(H36), C37(H37)
6.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C26(H26A,H26B,
 H26C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,
 H32B,H32C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C),
 C44(H44A,H44B,H44C)
;
_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
F1 F 0.8372(5) 0.5713(3) 0.30840(15) 0.0772(15) Uani 1 1 d . U . . .
F4 F 1.0328(6) 0.5501(3) 0.31742(16) 0.0909(17) Uani 1 1 d . U . . .
F6 F 0.6520(13) 0.6154(7) 0.3600(4) 0.095(5) Uani 0.729(7) 1 d D U P A 1
F8 F 0.9806(8) 0.8966(3) 0.33909(17) 0.104(2) Uani 1 1 d . U . . .
F10 F 0.5198(11) 0.8238(6) 0.4049(4) 0.078(4) Uani 0.729(7) 1 d D U P A 1
F12 F 0.8920(8) 0.7713(3) 0.30460(16) 0.109(2) Uani 1 1 d . U . . .
F14 F 1.1731(6) 0.6535(4) 0.2890(2) 0.112(2) Uani 1 1 d . U . . .
F16 F 0.9394(8) 0.9148(3) 0.45173(18) 0.123(3) Uani 1 1 d . U . . .
F18 F 0.9276(8) 0.9610(3) 0.3807(2) 0.123(3) Uani 1 1 d . U . . .
F20 F 1.0345(7) 0.5552(3) 0.40171(19) 0.108(2) Uani 1 1 d . U . . .
F22 F 0.9708(8) 0.7201(3) 0.25827(15) 0.114(2) Uani 1 1 d . U . . .
F24 F 0.8367(8) 0.5510(3) 0.4122(2) 0.115(2) Uani 1 1 d . U . . .
F26 F 1.1336(6) 0.7433(4) 0.31899(19) 0.114(2) Uani 1 1 d . U . . .
F28 F 0.9431(13) 0.8153(4) 0.4585(2) 0.170(5) Uani 1 1 d . U . . .
F30 F 0.5688(9) 0.8113(4) 0.3443(2) 0.090(3) Uani 0.729(7) 1 d D U P A 1
Al1 Al 0.8742(2) 0.71501(11) 0.38633(6) 0.0420(5) Uani 1 1 d . U . . .
F32 F 0.6263(12) 0.7376(8) 0.4474(3) 0.100(4) Uani 0.729(7) 1 d D U P A 1
F34 F 1.1651(6) 0.6533(5) 0.3472(2) 0.118(2) Uani 1 1 d . U . . .
F36 F 1.1444(7) 0.9224(4) 0.4116(3) 0.149(3) Uani 1 1 d . U . . .
F9 F 0.9513(11) 0.5972(5) 0.5109(2) 0.176(4) Uani 1 1 d . U . . .
F19 F 0.8031(6) 0.8836(4) 0.3610(3) 0.150(3) Uani 1 1 d . U . . .
O1 O 0.8980(7) 0.6739(3) 0.42669(16) 0.0741(18) Uani 1 1 d . U . . .
F5 F 0.9703(10) 0.5099(4) 0.4515(2) 0.162(4) Uani 1 1 d . U . . .
F21 F 0.5550(11) 0.6904(6) 0.3229(3) 0.128(4) Uani 0.729(7) 1 d D U P A 1
F11 F 1.1659(8) 0.8239(6) 0.4263(3) 0.174(4) Uani 1 1 d . U . . .
F23 F 0.4411(10) 0.7036(6) 0.4316(4) 0.127(4) Uani 0.729(7) 1 d D U P A 1
F3 F 0.3998(10) 0.7650(7) 0.3700(5) 0.140(4) Uani 0.729(7) 1 d D U P A 1
O2 O 0.7171(6) 0.7326(3) 0.38217(19) 0.0747(17) Uani 1 1 d D U . . .
O3 O 0.9571(6) 0.7868(3) 0.38576(14) 0.0564(14) Uani 1 1 d . U . . .
O4 O 0.9218(5) 0.6672(3) 0.34963(16) 0.0614(15) Uani 1 1 d . U . . .
F25 F 0.9673(5) 0.5875(3) 0.26545(14) 0.0823(16) Uani 1 1 d . U . . .
F13 F 1.1761(6) 0.8515(4) 0.3720(2) 0.115(2) Uani 1 1 d . U . . .
F27 F 1.1412(8) 0.6700(5) 0.4221(3) 0.143(3) Uani 1 1 d . U . . .
F7 F 0.7941(7) 0.6907(3) 0.2803(2) 0.106(2) Uani 1 1 d . U . . .
F29 F 0.8583(9) 0.6852(4) 0.49673(19) 0.125(3) Uani 1 1 d . U . . .
F15 F 0.4482(9) 0.6339(6) 0.3646(3) 0.100(4) Uani 0.729(7) 1 d D U P A 1
F31 F 0.7803(11) 0.5915(5) 0.4801(3) 0.161(4) Uani 1 1 d . U . . .
F2 F 0.7893(8) 0.8569(6) 0.4325(3) 0.184(5) Uani 1 1 d . U . . .
F33 F 1.1601(9) 0.5974(5) 0.4667(3) 0.176(4) Uani 1 1 d . U . . .
F17 F 0.5873(16) 0.6343(8) 0.4291(5) 0.165(6) Uani 0.729(7) 1 d D U P A 1
F35 F 1.0993(10) 0.6969(5) 0.4774(3) 0.153(3) Uani 1 1 d . U . . .
C45 C 0.9558(12) 0.6289(6) 0.4477(3) 0.082(3) Uani 1 1 d . U . . .
C46 C 0.9475(15) 0.5589(6) 0.4276(3) 0.098(3) Uani 1 1 d . U . . .
C47 C 1.0928(15) 0.6445(8) 0.4527(4) 0.116(4) Uani 1 1 d . U . . .
C48 C 0.8839(19) 0.6244(10) 0.4843(4) 0.130(4) Uani 1 1 d . U . . .
C49 C 0.5949(10) 0.7192(6) 0.3850(3) 0.067(3) Uani 0.729(7) 1 d D U P A 1
C50 C 0.5636(16) 0.6993(10) 0.4248(4) 0.098(4) Uani 0.729(7) 1 d D U P A 1
C51 C 0.5348(15) 0.7881(9) 0.3753(5) 0.100(4) Uani 0.729(7) 1 d D U P A 1
C52 C 0.5643(11) 0.6661(8) 0.3612(4) 0.093(4) Uani 0.729(7) 1 d D U P A 1
C53 C 0.9724(8) 0.6627(4) 0.3164(2) 0.056(2) Uani 1 1 d . U . . .
C54 C 0.9492(9) 0.5920(5) 0.3012(3) 0.064(2) Uani 1 1 d . U . . .
C55 C 0.9085(12) 0.7129(5) 0.2897(3) 0.074(3) Uani 1 1 d . U . . .
C56 C 1.1159(11) 0.6755(6) 0.3184(3) 0.085(3) Uani 1 1 d . U . . .
C57 C 0.9770(8) 0.8503(4) 0.3982(2) 0.059(2) Uani 1 1 d . U . . .
C58 C 1.1170(10) 0.8615(6) 0.4023(3) 0.079(3) Uani 1 1 d . U . . .
C59 C 0.9142(13) 0.8593(7) 0.4361(3) 0.094(3) Uani 1 1 d . U . . .
C60 C 0.9214(10) 0.8998(5) 0.3705(4) 0.078(3) Uani 1 1 d . U . . .
Au1 Au 0.43626(3) 0.80695(2) 0.63257(2) 0.04229(13) Uani 1 1 d . . . . .
Ge1 Ge 0.42562(9) 0.69080(5) 0.64286(3) 0.0489(2) Uani 1 1 d . . . . .
Si1 Si 0.4185(3) 0.63027(13) 0.56599(7) 0.0703(7) Uani 1 1 d . . . . .
N1 N 0.4569(5) 0.9564(3) 0.64743(15) 0.0400(14) Uani 1 1 d . . . . .
C1 C 0.4806(8) 0.6158(4) 0.6148(2) 0.052(2) Uani 1 1 d . . . . .
Si2 Si 0.6567(3) 0.59816(14) 0.61492(8) 0.0735(8) Uani 1 1 d . . . . .
N2 N 0.4202(5) 0.9382(3) 0.59043(16) 0.0383(14) Uani 1 1 d . . . . .
C2 C 0.4049(9) 0.5579(4) 0.6335(2) 0.058(2) Uani 1 1 d . . . . .
H2A H 0.321130 0.554581 0.621779 0.069 Uiso 1 1 calc R U . . .
H2B H 0.449124 0.515622 0.629404 0.069 Uiso 1 1 calc R U . . .
Si3 Si 0.1691(3) 0.64754(13) 0.68445(8) 0.0724(8) Uani 1 1 d . . . . .
C3 C 0.3900(8) 0.5690(4) 0.6746(2) 0.055(2) Uani 1 1 d . . . . .
H3A H 0.470734 0.560203 0.687237 0.065 Uiso 1 1 calc R U . . .
H3B H 0.327308 0.537711 0.684207 0.065 Uiso 1 1 calc R U . . .
Si4 Si 0.4262(3) 0.67659(12) 0.72605(7) 0.0675(7) Uani 1 1 d . . . . .
C4 C 0.3467(9) 0.6427(4) 0.6831(2) 0.064(2) Uani 1 1 d . . . . .
C5 C 0.2578(11) 0.6673(6) 0.5684(3) 0.093(3) Uani 1 1 d . . . . .
H5A H 0.196794 0.632500 0.573742 0.140 Uiso 1 1 calc R U . . .
H5B H 0.236547 0.688090 0.544925 0.140 Uiso 1 1 calc R U . . .
H5C H 0.256027 0.700530 0.587964 0.140 Uiso 1 1 calc R U . . .
C6 C 0.5160(13) 0.6916(5) 0.5414(3) 0.100(4) Uani 1 1 d . . . . .
H6A H 0.505935 0.735101 0.552751 0.151 Uiso 1 1 calc R U . . .
H6B H 0.489495 0.693661 0.515631 0.151 Uiso 1 1 calc R U . . .
H6C H 0.604100 0.678291 0.542922 0.151 Uiso 1 1 calc R U . . .
C7 C 0.4010(14) 0.5515(6) 0.5393(3) 0.108(4) Uani 1 1 d . . . . .
H7A H 0.479032 0.542102 0.526394 0.162 Uiso 1 1 calc R U . . .
H7B H 0.332509 0.556165 0.521375 0.162 Uiso 1 1 calc R U . . .
H7C H 0.382371 0.515171 0.556099 0.162 Uiso 1 1 calc R U . . .
C8 C 0.7014(13) 0.5478(7) 0.5738(4) 0.121(5) Uani 1 1 d . . . . .
H8A H 0.653368 0.506582 0.573465 0.181 Uiso 1 1 calc R U . . .
H8B H 0.791007 0.537631 0.575019 0.181 Uiso 1 1 calc R U . . .
H8C H 0.683195 0.572909 0.551358 0.181 Uiso 1 1 calc R U . . .
C9 C 0.7049(10) 0.5474(5) 0.6552(3) 0.092(3) Uani 1 1 d . . . . .
H9A H 0.692056 0.572659 0.677766 0.139 Uiso 1 1 calc R U . . .
H9B H 0.793608 0.535761 0.653170 0.139 Uiso 1 1 calc R U . . .
H9C H 0.654571 0.506973 0.655862 0.139 Uiso 1 1 calc R U . . .
C10 C 0.7453(11) 0.6771(5) 0.6151(4) 0.102(4) Uani 1 1 d . . . . .
H10A H 0.695295 0.711453 0.602996 0.154 Uiso 1 1 calc R U . . .
H10B H 0.824071 0.671209 0.602028 0.154 Uiso 1 1 calc R U . . .
H10C H 0.763225 0.690301 0.640526 0.154 Uiso 1 1 calc R U . . .
C11 C 0.0940(10) 0.5923(5) 0.6500(4) 0.097(4) Uani 1 1 d . . . . .
H11A H 0.107835 0.609913 0.625334 0.145 Uiso 1 1 calc R U . . .
H11B H 0.003973 0.589840 0.654604 0.145 Uiso 1 1 calc R U . . .
H11C H 0.130657 0.548084 0.651911 0.145 Uiso 1 1 calc R U . . .
C12 C 0.1097(11) 0.6201(6) 0.7305(3) 0.104(4) Uani 1 1 d . . . . .
H12A H 0.136849 0.574666 0.735275 0.156 Uiso 1 1 calc R U . . .
H12B H 0.018092 0.622132 0.730489 0.156 Uiso 1 1 calc R U . . .
H12C H 0.143285 0.649247 0.749671 0.156 Uiso 1 1 calc R U . . .
C14 C 0.4170(13) 0.6154(5) 0.7645(3) 0.097(4) Uani 1 1 d . . . . .
H14A H 0.344131 0.625309 0.779628 0.145 Uiso 1 1 calc R U . . .
H14B H 0.493238 0.618118 0.779611 0.145 Uiso 1 1 calc R U . . .
H14C H 0.408913 0.570761 0.754372 0.145 Uiso 1 1 calc R U . . .
C15 C 0.3569(12) 0.7575(5) 0.7393(3) 0.089(3) Uani 1 1 d . . . . .
H15A H 0.352946 0.786511 0.717762 0.133 Uiso 1 1 calc R U . . .
H15B H 0.408991 0.778120 0.758381 0.133 Uiso 1 1 calc R U . . .
H15C H 0.272304 0.750552 0.748644 0.133 Uiso 1 1 calc R U . . .
C16 C 0.5961(11) 0.6925(5) 0.7176(3) 0.090(3) Uani 1 1 d . . . . .
H16A H 0.639358 0.650367 0.713869 0.135 Uiso 1 1 calc R U . . .
H16B H 0.632945 0.715293 0.738800 0.135 Uiso 1 1 calc R U . . .
H16C H 0.604851 0.720020 0.695669 0.135 Uiso 1 1 calc R U . . .
C17 C 0.4367(6) 0.9076(3) 0.62324(18) 0.0346(16) Uani 1 1 d . . . . .
C18 C 0.4539(7) 1.0174(4) 0.6304(2) 0.049(2) Uani 1 1 d . . . . .
H18 H 0.466294 1.059135 0.641763 0.059 Uiso 1 1 calc R U . . .
C19 C 0.4304(7) 1.0066(4) 0.5949(2) 0.0461(18) Uani 1 1 d . . . . .
H19 H 0.422210 1.039138 0.576256 0.055 Uiso 1 1 calc R U . . .
C20 C 0.4848(7) 0.9467(3) 0.68631(19) 0.0394(17) Uani 1 1 d . . . . .
C21 C 0.6065(7) 0.9286(4) 0.6961(2) 0.0507(19) Uani 1 1 d . . . . .
C22 C 0.6301(8) 0.9183(4) 0.7335(2) 0.058(2) Uani 1 1 d . . . . .
H22 H 0.711378 0.905313 0.741504 0.070 Uiso 1 1 calc R U . . .
C23 C 0.5382(9) 0.9266(4) 0.7586(2) 0.063(2) Uani 1 1 d . . . . .
H23 H 0.557420 0.920730 0.783900 0.076 Uiso 1 1 calc R U . . .
C24 C 0.4183(8) 0.9432(4) 0.7483(2) 0.056(2) Uani 1 1 d . . . . .
H24 H 0.355511 0.946700 0.766464 0.067 Uiso 1 1 calc R U . . .
C25 C 0.3871(7) 0.9552(4) 0.71154(19) 0.0461(19) Uani 1 1 d . . . . .
C26 C 0.1117(10) 0.7328(5) 0.6748(3) 0.086(3) Uani 1 1 d . . . . .
H26A H 0.152732 0.763905 0.691624 0.129 Uiso 1 1 calc R U . . .
H26B H 0.020966 0.734534 0.678229 0.129 Uiso 1 1 calc R U . . .
H26C H 0.131300 0.744710 0.649435 0.129 Uiso 1 1 calc R U . . .
C27 C 0.7117(7) 0.9231(4) 0.6688(2) 0.057(2) Uani 1 1 d . . . . .
H27 H 0.674067 0.928310 0.643726 0.068 Uiso 1 1 calc R U . . .
C28 C 0.8051(11) 0.9809(6) 0.6747(4) 0.109(4) Uani 1 1 d . . . . .
H28A H 0.762468 1.022931 0.669963 0.164 Uiso 1 1 calc R U . . .
H28B H 0.875241 0.976081 0.657802 0.164 Uiso 1 1 calc R U . . .
H28C H 0.836605 0.980174 0.700037 0.164 Uiso 1 1 calc R U . . .
C29 C 0.7759(10) 0.8566(6) 0.6700(3) 0.091(3) Uani 1 1 d . . . . .
H29A H 0.813502 0.849822 0.694399 0.137 Uiso 1 1 calc R U . . .
H29B H 0.841391 0.855120 0.651451 0.137 Uiso 1 1 calc R U . . .
H29C H 0.714445 0.821709 0.665108 0.137 Uiso 1 1 calc R U . . .
C30 C 0.2569(7) 0.9764(4) 0.6998(2) 0.055(2) Uani 1 1 d . . . . .
H30 H 0.264375 1.000747 0.676019 0.066 Uiso 1 1 calc R U . . .
C31 C 0.1928(10) 1.0218(5) 0.7268(3) 0.081(3) Uani 1 1 d . . . . .
H31A H 0.115482 1.039091 0.715746 0.121 Uiso 1 1 calc R U . . .
H31B H 0.248654 1.058581 0.733062 0.121 Uiso 1 1 calc R U . . .
H31C H 0.172743 0.997101 0.749111 0.121 Uiso 1 1 calc R U . . .
C32 C 0.1775(8) 0.9149(5) 0.6926(3) 0.068(3) Uani 1 1 d . . . . .
H32A H 0.158716 0.893306 0.715944 0.103 Uiso 1 1 calc R U . . .
H32B H 0.223576 0.884288 0.676894 0.103 Uiso 1 1 calc R U . . .
H32C H 0.099121 0.927689 0.680301 0.103 Uiso 1 1 calc R U . . .
C33 C 0.4040(6) 0.9042(4) 0.55553(18) 0.0381(16) Uani 1 1 d . . . . .
C34 C 0.2838(7) 0.8861(4) 0.5449(2) 0.0448(18) Uani 1 1 d . . . . .
C35 C 0.2731(7) 0.8521(5) 0.5123(2) 0.059(2) Uani 1 1 d . . . . .
H35 H 0.192950 0.837889 0.504027 0.071 Uiso 1 1 calc R U . . .
C36 C 0.3769(8) 0.8383(5) 0.4914(2) 0.065(2) Uani 1 1 d . . . . .
H36 H 0.367419 0.813868 0.469313 0.077 Uiso 1 1 calc R U . . .
C37 C 0.4940(8) 0.8595(5) 0.5023(2) 0.059(2) Uani 1 1 d . . . . .
H37 H 0.564035 0.851153 0.487167 0.071 Uiso 1 1 calc R U . . .
C38 C 0.5104(7) 0.8927(4) 0.5351(2) 0.0459(18) Uani 1 1 d . . . . .
C39 C 0.1670(7) 0.9027(4) 0.5672(2) 0.0475(19) Uani 1 1 d . . . . .
H39 H 0.190942 0.936935 0.585743 0.057 Uiso 1 1 calc R U . . .
C40 C 0.1198(9) 0.8445(6) 0.5873(3) 0.081(3) Uani 1 1 d . . . . .
H40A H 0.095866 0.810035 0.569695 0.122 Uiso 1 1 calc R U . . .
H40B H 0.046715 0.857279 0.601648 0.122 Uiso 1 1 calc R U . . .
H40C H 0.185502 0.827768 0.603734 0.122 Uiso 1 1 calc R U . . .
C41 C 0.0633(8) 0.9314(5) 0.5430(2) 0.061(2) Uani 1 1 d . . . . .
H41A H 0.097034 0.967597 0.528310 0.092 Uiso 1 1 calc R U . . .
H41B H -0.004071 0.948081 0.558510 0.092 Uiso 1 1 calc R U . . .
H41C H 0.030367 0.896888 0.526735 0.092 Uiso 1 1 calc R U . . .
C42 C 0.6406(7) 0.9147(4) 0.5472(2) 0.053(2) Uani 1 1 d . . . . .
H42 H 0.630742 0.939988 0.570517 0.064 Uiso 1 1 calc R U . . .
C43 C 0.7230(9) 0.8550(5) 0.5559(3) 0.085(3) Uani 1 1 d . . . . .
H43A H 0.680755 0.826691 0.573689 0.128 Uiso 1 1 calc R U . . .
H43B H 0.803000 0.870097 0.566250 0.128 Uiso 1 1 calc R U . . .
H43C H 0.738018 0.830055 0.533344 0.128 Uiso 1 1 calc R U . . .
C44 C 0.7003(9) 0.9613(5) 0.5196(3) 0.070(3) Uani 1 1 d . . . . .
H44A H 0.709650 0.938598 0.496042 0.105 Uiso 1 1 calc R U . . .
H44B H 0.782758 0.975157 0.528756 0.105 Uiso 1 1 calc R U . . .
H44C H 0.646925 1.000268 0.516221 0.105 Uiso 1 1 calc R U . . .
F6A F 0.612(3) 0.6202(18) 0.4154(8) 0.121(9) Uani 0.271(7) 1 d D U P A 2
F10A F 0.428(2) 0.7686(13) 0.3415(7) 0.091(6) Uani 0.271(7) 1 d D U P A 2
F30A F 0.595(3) 0.7233(14) 0.3134(7) 0.106(9) Uani 0.271(7) 1 d D U P A 2
F32A F 0.560(4) 0.8183(15) 0.4094(13) 0.099(11) Uani 0.271(7) 1 d D U P A 2
F21A F 0.625(3) 0.6150(18) 0.3522(8) 0.059(7) Uani 0.271(7) 1 d D U P A 2
F23A F 0.4092(17) 0.7405(13) 0.4113(8) 0.088(6) Uani 0.271(7) 1 d D U P A 2
F3A F 0.466(3) 0.6684(13) 0.3444(9) 0.121(5) Uani 0.271(7) 1 d D U P A 2
F15A F 0.449(2) 0.6289(18) 0.3823(10) 0.116(7) Uani 0.271(7) 1 d D U P A 2
F17A F 0.564(3) 0.731(2) 0.4454(7) 0.093(8) Uani 0.271(7) 1 d D U P A 2
C49A C 0.5970(15) 0.7196(11) 0.3805(6) 0.079(4) Uani 0.271(7) 1 d D U P A 2
C50A C 0.532(2) 0.7557(15) 0.4120(7) 0.082(5) Uani 0.271(7) 1 d D U P A 2
C51A C 0.537(2) 0.7395(14) 0.3423(7) 0.095(5) Uani 0.271(7) 1 d D U P A 2
C52A C 0.574(3) 0.6498(12) 0.3834(9) 0.098(5) Uani 0.271(7) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C54 1.298(10) . ?
F4 C54 1.362(11) . ?
F6 C52 1.392(14) . ?
F8 C60 1.316(12) . ?
F10 C51 1.31(2) . ?
F12 C55 1.315(11) . ?
F14 C56 1.315(11) . ?
F16 C59 1.286(12) . ?
F18 C60 1.296(12) . ?
F20 C46 1.334(13) . ?
F22 C55 1.339(11) . ?
F24 C46 1.315(15) . ?
F26 C56 1.387(13) . ?
F28 C59 1.245(16) . ?
F30 C51 1.28(2) . ?
Al1 O1 1.707(6) . ?
Al1 O2 1.722(6) . ?
Al1 O3 1.702(6) . ?
Al1 O4 1.732(6) . ?
F32 C50 1.31(2) . ?
F34 C56 1.255(14) . ?
F36 C58 1.311(13) . ?
F9 C48 1.323(17) . ?
F19 C60 1.348(12) . ?
O1 C45 1.337(11) . ?
F5 C46 1.341(13) . ?
F21 C52 1.482(15) . ?
F11 C58 1.270(13) . ?
F23 C50 1.338(18) . ?
F3 C51 1.527(19) . ?
O2 C49 1.339(11) . ?
O2 C49A 1.311(17) . ?
O3 C57 1.380(10) . ?
O4 C53 1.336(9) . ?
F25 C54 1.324(10) . ?
F13 C58 1.293(12) . ?
F27 C47 1.338(17) . ?
F7 C55 1.344(13) . ?
F29 C48 1.343(18) . ?
F15 C52 1.409(13) . ?
F31 C48 1.30(2) . ?
F2 C59 1.341(15) . ?
F33 C47 1.297(16) . ?
F17 C50 1.35(2) . ?
F35 C47 1.393(15) . ?
C45 C46 1.597(17) . ?
C45 C47 1.507(18) . ?
C45 C48 1.549(17) . ?
C49 C50 1.545(9) . ?
C49 C51 1.58(2) . ?
C49 C52 1.418(18) . ?
C53 C54 1.552(13) . ?
C53 C55 1.560(14) . ?
C53 C56 1.557(14) . ?
C57 C58 1.520(14) . ?
C57 C59 1.555(14) . ?
C57 C60 1.536(14) . ?
Au1 Ge1 2.3851(10) . ?
Au1 C17 2.066(7) . ?
Ge1 C1 1.928(8) . ?
Ge1 C4 1.958(8) . ?
Si1 C1 1.914(9) . ?
Si1 C5 1.877(12) . ?
Si1 C6 1.857(11) . ?
Si1 C7 1.877(12) . ?
N1 C17 1.341(9) . ?
N1 C18 1.384(10) . ?
N1 C20 1.459(9) . ?
C1 Si2 1.916(9) . ?
C1 C2 1.582(11) . ?
Si2 C8 1.880(12) . ?
Si2 C9 1.861(11) . ?
Si2 C10 1.858(11) . ?
N2 C17 1.357(8) . ?
N2 C19 1.399(10) . ?
N2 C33 1.456(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.525(11) . ?
Si3 C4 1.903(10) . ?
Si3 C11 1.857(12) . ?
Si3 C12 1.884(11) . ?
Si3 C26 1.864(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.594(11) . ?
Si4 C4 1.902(10) . ?
Si4 C14 1.874(10) . ?
Si4 C15 1.865(10) . ?
Si4 C16 1.873(12) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 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 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 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 . ?
C18 H18 0.9500 . ?
C18 C19 1.331(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.394(11) . ?
C20 C25 1.409(10) . ?
C21 C22 1.401(11) . ?
C21 C27 1.513(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.359(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(13) . ?
C24 H24 0.9500 . ?
C24 C25 1.399(11) . ?
C25 C30 1.515(11) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 1.0000 . ?
C27 C28 1.552(14) . ?
C27 C29 1.513(13) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 1.0000 . ?
C30 C31 1.518(12) . ?
C30 C32 1.528(12) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.387(10) . ?
C33 C38 1.387(9) . ?
C34 C35 1.378(11) . ?
C34 C39 1.534(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(12) . ?
C37 H37 0.9500 . ?
C37 C38 1.379(11) . ?
C38 C42 1.522(11) . ?
C39 H39 1.0000 . ?
C39 C40 1.477(12) . ?
C39 C41 1.523(11) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42 1.0000 . ?
C42 C43 1.527(12) . ?
C42 C44 1.524(11) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
F6A C52A 1.37(2) . ?
F10A C51A 1.30(2) . ?
F30A C51A 1.27(3) . ?
F32A C50A 1.31(3) . ?
F21A C52A 1.45(2) . ?
F23A C50A 1.35(2) . ?
F3A F15A 1.61(5) . ?
F3A C51A 1.63(3) . ?
F3A C52A 1.86(4) . ?
F15A C52A 1.40(2) . ?
F17A C50A 1.35(3) . ?
C49A C50A 1.537(19) . ?
C49A C51A 1.58(2) . ?
C49A C52A 1.44(2) . ?

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
O1 Al1 O2 108.2(4) . . ?
O1 Al1 O4 110.5(3) . . ?
O2 Al1 O4 110.0(3) . . ?
O3 Al1 O1 110.7(3) . . ?
O3 Al1 O2 109.2(3) . . ?
O3 Al1 O4 108.1(3) . . ?
C45 O1 Al1 152.8(6) . . ?
C49 O2 Al1 154.5(8) . . ?
C49A O2 Al1 156.3(11) . . ?
C57 O3 Al1 150.6(5) . . ?
C53 O4 Al1 149.9(6) . . ?
O1 C45 C46 108.6(9) . . ?
O1 C45 C47 111.7(11) . . ?
O1 C45 C48 107.6(10) . . ?
C47 C45 C46 106.9(10) . . ?
C47 C45 C48 113.5(12) . . ?
C48 C45 C46 108.4(11) . . ?
F20 C46 F5 107.1(11) . . ?
F20 C46 C45 109.8(11) . . ?
F24 C46 F20 108.8(11) . . ?
F24 C46 F5 110.1(12) . . ?
F24 C46 C45 110.5(10) . . ?
F5 C46 C45 110.5(10) . . ?
F27 C47 F35 103.3(14) . . ?
F27 C47 C45 111.3(11) . . ?
F33 C47 F27 113.3(14) . . ?
F33 C47 F35 106.3(11) . . ?
F33 C47 C45 115.4(15) . . ?
F35 C47 C45 106.2(12) . . ?
F9 C48 F29 104.2(14) . . ?
F9 C48 C45 112.7(14) . . ?
F29 C48 C45 110.0(13) . . ?
F31 C48 F9 109.2(15) . . ?
F31 C48 F29 109.4(15) . . ?
F31 C48 C45 111.1(14) . . ?
O2 C49 C50 110.2(10) . . ?
O2 C49 C51 101.5(10) . . ?
O2 C49 C52 109.0(9) . . ?
C50 C49 C51 110.4(12) . . ?
C52 C49 C50 109.1(13) . . ?
C52 C49 C51 116.3(12) . . ?
F32 C50 F23 109.8(14) . . ?
F32 C50 F17 114.2(17) . . ?
F32 C50 C49 108.7(13) . . ?
F23 C50 F17 102.9(15) . . ?
F23 C50 C49 112.4(13) . . ?
F17 C50 C49 108.8(13) . . ?
F10 C51 F3 98.6(13) . . ?
F10 C51 C49 111.0(15) . . ?
F30 C51 F10 124.3(16) . . ?
F30 C51 F3 106.1(14) . . ?
F30 C51 C49 113.8(12) . . ?
F3 C51 C49 98.0(12) . . ?
F6 C52 F21 104.8(11) . . ?
F6 C52 F15 104.7(11) . . ?
F6 C52 C49 115.3(13) . . ?
F15 C52 F21 100.7(10) . . ?
F15 C52 C49 119.7(11) . . ?
C49 C52 F21 109.8(12) . . ?
O4 C53 C54 108.8(7) . . ?
O4 C53 C55 110.0(7) . . ?
O4 C53 C56 110.8(8) . . ?
C54 C53 C55 108.2(8) . . ?
C54 C53 C56 108.9(8) . . ?
C56 C53 C55 110.1(8) . . ?
F1 C54 F4 108.2(8) . . ?
F1 C54 F25 108.7(8) . . ?
F1 C54 C53 111.8(7) . . ?
F4 C54 C53 108.6(8) . . ?
F25 C54 F4 106.4(7) . . ?
F25 C54 C53 113.0(7) . . ?
F12 C55 F22 109.0(9) . . ?
F12 C55 F7 106.3(9) . . ?
F12 C55 C53 112.9(8) . . ?
F22 C55 C53 112.7(9) . . ?
F7 C55 F22 106.2(9) . . ?
F7 C55 C53 109.4(8) . . ?
F14 C56 F26 106.6(9) . . ?
F14 C56 C53 111.8(9) . . ?
F26 C56 C53 107.5(10) . . ?
F34 C56 F14 111.4(11) . . ?
F34 C56 F26 106.6(10) . . ?
F34 C56 C53 112.5(9) . . ?
O3 C57 C58 108.7(8) . . ?
O3 C57 C59 109.6(7) . . ?
O3 C57 C60 109.7(8) . . ?
C58 C57 C59 109.1(9) . . ?
C58 C57 C60 109.9(8) . . ?
C60 C57 C59 109.8(9) . . ?
F36 C58 C57 112.5(9) . . ?
F11 C58 F36 107.3(11) . . ?
F11 C58 F13 107.2(11) . . ?
F11 C58 C57 112.1(10) . . ?
F13 C58 F36 105.0(9) . . ?
F13 C58 C57 112.4(9) . . ?
F16 C59 F2 106.2(12) . . ?
F16 C59 C57 114.0(10) . . ?
F28 C59 F16 106.6(12) . . ?
F28 C59 F2 106.2(12) . . ?
F28 C59 C57 113.1(11) . . ?
F2 C59 C57 110.2(10) . . ?
F8 C60 F19 102.8(10) . . ?
F8 C60 C57 110.6(8) . . ?
F18 C60 F8 105.9(8) . . ?
F18 C60 F19 110.6(9) . . ?
F18 C60 C57 114.7(10) . . ?
F19 C60 C57 111.4(8) . . ?
C17 Au1 Ge1 177.38(18) . . ?
C1 Ge1 Au1 132.7(2) . . ?
C1 Ge1 C4 98.1(3) . . ?
C4 Ge1 Au1 129.0(3) . . ?
C5 Si1 C1 109.0(4) . . ?
C6 Si1 C1 111.1(5) . . ?
C6 Si1 C5 105.9(6) . . ?
C6 Si1 C7 111.8(6) . . ?
C7 Si1 C1 112.5(5) . . ?
C7 Si1 C5 106.1(6) . . ?
C17 N1 C18 111.1(6) . . ?
C17 N1 C20 124.7(6) . . ?
C18 N1 C20 124.1(6) . . ?
Si1 C1 Ge1 105.5(4) . . ?
Si1 C1 Si2 111.2(4) . . ?
Si2 C1 Ge1 116.8(4) . . ?
C2 C1 Ge1 101.2(5) . . ?
C2 C1 Si1 109.9(6) . . ?
C2 C1 Si2 111.6(6) . . ?
C8 Si2 C1 110.9(6) . . ?
C9 Si2 C1 111.7(4) . . ?
C9 Si2 C8 105.0(6) . . ?
C10 Si2 C1 109.9(4) . . ?
C10 Si2 C8 109.7(6) . . ?
C10 Si2 C9 109.6(6) . . ?
C17 N2 C19 109.9(6) . . ?
C17 N2 C33 124.5(6) . . ?
C19 N2 C33 125.4(6) . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C3 C2 C1 111.9(7) . . ?
C3 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
C11 Si3 C4 112.0(4) . . ?
C11 Si3 C12 106.1(6) . . ?
C11 Si3 C26 106.9(6) . . ?
C12 Si3 C4 110.7(5) . . ?
C26 Si3 C4 111.6(4) . . ?
C26 Si3 C12 109.2(5) . . ?
C2 C3 H3A 109.4 . . ?
C2 C3 H3B 109.4 . . ?
C2 C3 C4 111.2(7) . . ?
H3A C3 H3B 108.0 . . ?
C4 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
C14 Si4 C4 110.6(5) . . ?
C15 Si4 C4 110.8(5) . . ?
C15 Si4 C14 111.4(5) . . ?
C15 Si4 C16 106.3(5) . . ?
C16 Si4 C4 110.6(5) . . ?
C16 Si4 C14 107.2(6) . . ?
Si3 C4 Ge1 115.6(5) . . ?
C3 C4 Ge1 101.1(5) . . ?
C3 C4 Si3 110.2(6) . . ?
C3 C4 Si4 111.7(6) . . ?
Si4 C4 Ge1 104.2(4) . . ?
Si4 C4 Si3 113.3(4) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 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 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 . . ?
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 . . ?
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 . . ?
N1 C17 Au1 128.3(5) . . ?
N1 C17 N2 105.1(6) . . ?
N2 C17 Au1 126.6(5) . . ?
N1 C18 H18 126.5 . . ?
C19 C18 N1 107.0(7) . . ?
C19 C18 H18 126.5 . . ?
N2 C19 H19 126.6 . . ?
C18 C19 N2 106.8(7) . . ?
C18 C19 H19 126.6 . . ?
C21 C20 N1 117.7(6) . . ?
C21 C20 C25 124.1(7) . . ?
C25 C20 N1 118.2(7) . . ?
C20 C21 C22 116.5(7) . . ?
C20 C21 C27 123.3(7) . . ?
C22 C21 C27 120.2(8) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.9(8) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.7(8) . . ?
C24 C23 H23 119.1 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.1(8) . . ?
C25 C24 H24 119.5 . . ?
C20 C25 C30 122.3(7) . . ?
C24 C25 C20 115.7(8) . . ?
C24 C25 C30 122.0(7) . . ?
Si3 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
Si3 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C27 H27 107.4 . . ?
C21 C27 C28 109.6(8) . . ?
C21 C27 C29 112.7(7) . . ?
C28 C27 H27 107.4 . . ?
C29 C27 H27 107.4 . . ?
C29 C27 C28 112.1(8) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30 107.7 . . ?
C25 C30 C32 108.9(7) . . ?
C31 C30 C25 114.1(7) . . ?
C31 C30 H30 107.7 . . ?
C31 C30 C32 110.6(7) . . ?
C32 C30 H30 107.7 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 N2 118.0(6) . . ?
C38 C33 N2 117.3(6) . . ?
C38 C33 C34 124.6(7) . . ?
C33 C34 C39 123.5(7) . . ?
C35 C34 C33 116.1(7) . . ?
C35 C34 C39 120.4(7) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 C34 121.2(8) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 119.6 . . ?
C35 C36 C37 120.7(9) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.5(7) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 C42 123.2(7) . . ?
C37 C38 C33 116.7(7) . . ?
C37 C38 C42 120.1(7) . . ?
C34 C39 H39 107.8 . . ?
C40 C39 C34 111.9(7) . . ?
C40 C39 H39 107.8 . . ?
C40 C39 C41 109.9(7) . . ?
C41 C39 C34 111.6(6) . . ?
C41 C39 H39 107.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42 107.0 . . ?
C38 C42 C43 110.6(8) . . ?
C38 C42 C44 112.3(7) . . ?
C43 C42 H42 107.0 . . ?
C44 C42 H42 107.0 . . ?
C44 C42 C43 112.5(7) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
F15A F3A C51A 123(2) . . ?
F15A F3A C52A 47.2(13) . . ?
C51A F3A C52A 86.1(15) . . ?
C52A F15A F3A 76(2) . . ?
O2 C49A C50A 108.6(16) . . ?
O2 C49A C51A 112.4(17) . . ?
O2 C49A C52A 111.3(17) . . ?
C50A C49A C51A 110.7(17) . . ?
C52A C49A C50A 109.4(19) . . ?
C52A C49A C51A 104.4(18) . . ?
F32A C50A F23A 116(3) . . ?
F32A C50A F17A 111(3) . . ?
F32A C50A C49A 108(2) . . ?
F23A C50A F17A 100(2) . . ?
F23A C50A C49A 109.1(19) . . ?
F17A C50A C49A 113(2) . . ?
F10A C51A F3A 89(2) . . ?
F10A C51A C49A 120(2) . . ?
F30A C51A F10A 123(2) . . ?
F30A C51A F3A 92(2) . . ?
F30A C51A C49A 118(2) . . ?
C49A C51A F3A 85.2(16) . . ?
F6A C52A F21A 110(2) . . ?
F6A C52A F3A 156(2) . . ?
F6A C52A F15A 100(2) . . ?
F6A C52A C49A 116(2) . . ?
F21A C52A F3A 75(2) . . ?
F15A C52A F21A 101(2) . . ?
F15A C52A F3A 57.0(19) . . ?
F15A C52A C49A 117(2) . . ?
C49A C52A F21A 111(2) . . ?
C49A C52A F3A 81.3(15) . . ?

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
Al1 O1 C45 C46 -54(2) . . . . ?
Al1 O1 C45 C47 63(2) . . . . ?
Al1 O1 C45 C48 -171.4(15) . . . . ?
Al1 O2 C49 C50 56(2) . . . . ?
Al1 O2 C49 C51 172.7(14) . . . . ?
Al1 O2 C49 C52 -64(2) . . . . ?
Al1 O2 C49A C50A 120(3) . . . . ?
Al1 O2 C49A C51A -117(3) . . . . ?
Al1 O2 C49A C52A -1(4) . . . . ?
Al1 O3 C57 C58 140.5(10) . . . . ?
Al1 O3 C57 C59 21.4(16) . . . . ?
Al1 O3 C57 C60 -99.3(12) . . . . ?
Al1 O4 C53 C54 -167.5(9) . . . . ?
Al1 O4 C53 C55 -49.2(15) . . . . ?
Al1 O4 C53 C56 72.8(14) . . . . ?
O1 Al1 O2 C49 -40.5(17) . . . . ?
O1 Al1 O2 C49A -57(3) . . . . ?
O1 Al1 O3 C57 -70.0(12) . . . . ?
O1 Al1 O4 C53 -145.3(12) . . . . ?
O1 C45 C46 F20 80.2(13) . . . . ?
O1 C45 C46 F24 -39.9(13) . . . . ?
O1 C45 C46 F5 -161.9(11) . . . . ?
O1 C45 C47 F27 -36.8(15) . . . . ?
O1 C45 C47 F33 -167.6(10) . . . . ?
O1 C45 C47 F35 74.9(13) . . . . ?
O1 C45 C48 F9 -161.1(14) . . . . ?
O1 C45 C48 F29 -45.3(17) . . . . ?
O1 C45 C48 F31 76.0(16) . . . . ?
O2 Al1 O1 C45 145.4(17) . . . . ?
O2 Al1 O3 C57 49.1(12) . . . . ?
O2 Al1 O4 C53 95.2(12) . . . . ?
O2 C49 C50 F32 40.5(18) . . . . ?
O2 C49 C50 F23 162.3(13) . . . . ?
O2 C49 C50 F17 -84.4(17) . . . . ?
O2 C49 C51 F10 -90.5(14) . . . . ?
O2 C49 C51 F30 55.4(15) . . . . ?
O2 C49 C51 F3 167.0(11) . . . . ?
O2 C49 C52 F6 40.6(16) . . . . ?
O2 C49 C52 F21 -77.4(13) . . . . ?
O2 C49 C52 F15 167.0(12) . . . . ?
O2 C49A C50A F32A 55(3) . . . . ?
O2 C49A C50A F23A -178(2) . . . . ?
O2 C49A C50A F17A -67(3) . . . . ?
O2 C49A C51A F10A -138(2) . . . . ?
O2 C49A C51A F30A 46(3) . . . . ?
O2 C49A C51A F3A 135.8(19) . . . . ?
O2 C49A C52A F6A 62(3) . . . . ?
O2 C49A C52A F21A -65(3) . . . . ?
O2 C49A C52A F3A -134.8(18) . . . . ?
O2 C49A C52A F15A 180(2) . . . . ?
O3 Al1 O1 C45 -94.9(17) . . . . ?
O3 Al1 O2 C49 -161.2(16) . . . . ?
O3 Al1 O2 C49A -178(3) . . . . ?
O3 Al1 O4 C53 -24.0(13) . . . . ?
O3 C57 C58 F36 175.6(9) . . . . ?
O3 C57 C58 F11 -63.4(12) . . . . ?
O3 C57 C58 F13 57.3(11) . . . . ?
O3 C57 C59 F16 172.8(11) . . . . ?
O3 C57 C59 F28 50.8(14) . . . . ?
O3 C57 C59 F2 -67.9(13) . . . . ?
O3 C57 C60 F8 -64.7(10) . . . . ?
O3 C57 C60 F18 175.6(8) . . . . ?
O3 C57 C60 F19 49.0(12) . . . . ?
O4 Al1 O1 C45 24.9(18) . . . . ?
O4 Al1 O2 C49 80.3(16) . . . . ?
O4 Al1 O2 C49A 64(3) . . . . ?
O4 Al1 O3 C57 168.7(11) . . . . ?
O4 C53 C54 F1 41.1(11) . . . . ?
O4 C53 C54 F4 -78.2(9) . . . . ?
O4 C53 C54 F25 164.0(7) . . . . ?
O4 C53 C55 F12 43.5(11) . . . . ?
O4 C53 C55 F22 167.5(8) . . . . ?
O4 C53 C55 F7 -74.6(9) . . . . ?
O4 C53 C56 F14 162.0(9) . . . . ?
O4 C53 C56 F26 -81.4(10) . . . . ?
O4 C53 C56 F34 35.7(12) . . . . ?
C46 C45 C47 F27 81.9(13) . . . . ?
C46 C45 C47 F33 -48.9(14) . . . . ?
C46 C45 C47 F35 -166.4(10) . . . . ?
C46 C45 C48 F9 81.6(18) . . . . ?
C46 C45 C48 F29 -162.6(13) . . . . ?
C46 C45 C48 F31 -41.3(17) . . . . ?
C47 C45 C46 F20 -40.5(13) . . . . ?
C47 C45 C46 F24 -160.5(11) . . . . ?
C47 C45 C46 F5 77.4(14) . . . . ?
C47 C45 C48 F9 -37(2) . . . . ?
C47 C45 C48 F29 78.8(16) . . . . ?
C47 C45 C48 F31 -159.9(14) . . . . ?
C48 C45 C46 F20 -163.2(11) . . . . ?
C48 C45 C46 F24 76.8(13) . . . . ?
C48 C45 C46 F5 -45.3(16) . . . . ?
C48 C45 C47 F27 -158.6(12) . . . . ?
C48 C45 C47 F33 70.6(16) . . . . ?
C48 C45 C47 F35 -46.9(16) . . . . ?
C50 C49 C51 F10 26.4(18) . . . . ?
C50 C49 C51 F30 172.3(13) . . . . ?
C50 C49 C51 F3 -76.1(14) . . . . ?
C50 C49 C52 F6 -79.8(14) . . . . ?
C50 C49 C52 F21 162.1(10) . . . . ?
C50 C49 C52 F15 46.5(17) . . . . ?
C51 C49 C50 F32 -70.8(17) . . . . ?
C51 C49 C50 F23 51.0(19) . . . . ?
C51 C49 C50 F17 164.3(15) . . . . ?
C51 C49 C52 F6 154.5(13) . . . . ?
C51 C49 C52 F21 36.4(15) . . . . ?
C51 C49 C52 F15 -79.1(17) . . . . ?
C52 C49 C50 F32 160.2(14) . . . . ?
C52 C49 C50 F23 -78.1(17) . . . . ?
C52 C49 C50 F17 35.2(18) . . . . ?
C52 C49 C51 F10 151.4(12) . . . . ?
C52 C49 C51 F30 -62.7(17) . . . . ?
C52 C49 C51 F3 48.9(16) . . . . ?
C54 C53 C55 F12 162.2(9) . . . . ?
C54 C53 C55 F22 -73.7(10) . . . . ?
C54 C53 C55 F7 44.1(10) . . . . ?
C54 C53 C56 F14 42.4(13) . . . . ?
C54 C53 C56 F26 159.0(8) . . . . ?
C54 C53 C56 F34 -83.9(11) . . . . ?
C55 C53 C54 F1 -78.4(9) . . . . ?
C55 C53 C54 F4 162.3(7) . . . . ?
C55 C53 C54 F25 44.5(10) . . . . ?
C55 C53 C56 F14 -76.1(12) . . . . ?
C55 C53 C56 F26 40.6(10) . . . . ?
C55 C53 C56 F34 157.6(9) . . . . ?
C56 C53 C54 F1 161.9(9) . . . . ?
C56 C53 C54 F4 42.6(10) . . . . ?
C56 C53 C54 F25 -75.2(10) . . . . ?
C56 C53 C55 F12 -78.9(11) . . . . ?
C56 C53 C55 F22 45.2(11) . . . . ?
C56 C53 C55 F7 163.0(8) . . . . ?
C58 C57 C59 F16 53.9(15) . . . . ?
C58 C57 C59 F28 -68.1(13) . . . . ?
C58 C57 C59 F2 173.2(11) . . . . ?
C58 C57 C60 F8 54.7(11) . . . . ?
C58 C57 C60 F18 -65.0(12) . . . . ?
C58 C57 C60 F19 168.4(10) . . . . ?
C59 C57 C58 F36 -65.0(12) . . . . ?
C59 C57 C58 F11 56.0(13) . . . . ?
C59 C57 C58 F13 176.8(10) . . . . ?
C59 C57 C60 F8 174.8(9) . . . . ?
C59 C57 C60 F18 55.1(11) . . . . ?
C59 C57 C60 F19 -71.5(12) . . . . ?
C60 C57 C58 F36 55.5(12) . . . . ?
C60 C57 C58 F11 176.5(11) . . . . ?
C60 C57 C58 F13 -62.7(12) . . . . ?
C60 C57 C59 F16 -66.7(14) . . . . ?
C60 C57 C59 F28 171.3(11) . . . . ?
C60 C57 C59 F2 52.6(13) . . . . ?
Ge1 C1 C2 C3 -34.9(8) . . . . ?
Si1 C1 C2 C3 -146.1(6) . . . . ?
N1 C18 C19 N2 -0.5(8) . . . . ?
N1 C20 C21 C22 -178.8(7) . . . . ?
N1 C20 C21 C27 4.2(11) . . . . ?
N1 C20 C25 C24 178.1(7) . . . . ?
N1 C20 C25 C30 -2.4(10) . . . . ?
C1 C2 C3 C4 46.6(9) . . . . ?
Si2 C1 C2 C3 90.0(7) . . . . ?
N2 C33 C34 C35 -177.9(7) . . . . ?
N2 C33 C34 C39 2.5(11) . . . . ?
N2 C33 C38 C37 179.0(7) . . . . ?
N2 C33 C38 C42 -0.9(11) . . . . ?
C2 C3 C4 Ge1 -31.3(8) . . . . ?
C2 C3 C4 Si3 91.5(7) . . . . ?
C2 C3 C4 Si4 -141.6(6) . . . . ?
C17 N1 C18 C19 0.5(8) . . . . ?
C17 N1 C20 C21 78.3(9) . . . . ?
C17 N1 C20 C25 -100.7(8) . . . . ?
C17 N2 C19 C18 0.4(8) . . . . ?
C17 N2 C33 C34 87.7(8) . . . . ?
C17 N2 C33 C38 -92.9(8) . . . . ?
C18 N1 C17 Au1 177.8(5) . . . . ?
C18 N1 C17 N2 -0.3(7) . . . . ?
C18 N1 C20 C21 -98.4(8) . . . . ?
C18 N1 C20 C25 82.6(8) . . . . ?
C19 N2 C17 Au1 -178.2(5) . . . . ?
C19 N2 C17 N1 -0.1(7) . . . . ?
C19 N2 C33 C34 -97.3(8) . . . . ?
C19 N2 C33 C38 82.0(9) . . . . ?
C20 N1 C17 Au1 0.8(9) . . . . ?
C20 N1 C17 N2 -177.3(6) . . . . ?
C20 N1 C18 C19 177.6(6) . . . . ?
C20 C21 C22 C23 -0.8(12) . . . . ?
C20 C21 C27 C28 108.5(10) . . . . ?
C20 C21 C27 C29 -125.9(9) . . . . ?
C20 C25 C30 C31 -143.8(8) . . . . ?
C20 C25 C30 C32 92.1(9) . . . . ?
C21 C20 C25 C24 -0.9(11) . . . . ?
C21 C20 C25 C30 178.6(7) . . . . ?
C21 C22 C23 C24 2.1(13) . . . . ?
C22 C21 C27 C28 -68.4(11) . . . . ?
C22 C21 C27 C29 57.2(11) . . . . ?
C22 C23 C24 C25 -2.8(13) . . . . ?
C23 C24 C25 C20 2.1(12) . . . . ?
C23 C24 C25 C30 -177.4(8) . . . . ?
C24 C25 C30 C31 35.7(11) . . . . ?
C24 C25 C30 C32 -88.4(9) . . . . ?
C25 C20 C21 C22 0.2(11) . . . . ?
C25 C20 C21 C27 -176.8(7) . . . . ?
C27 C21 C22 C23 176.3(8) . . . . ?
C33 N2 C17 Au1 -2.6(9) . . . . ?
C33 N2 C17 N1 175.6(6) . . . . ?
C33 N2 C19 C18 -175.2(6) . . . . ?
C33 C34 C35 C36 -1.2(13) . . . . ?
C33 C34 C39 C40 -103.9(9) . . . . ?
C33 C34 C39 C41 132.5(8) . . . . ?
C33 C38 C42 C43 112.7(9) . . . . ?
C33 C38 C42 C44 -120.7(8) . . . . ?
C34 C33 C38 C37 -1.7(12) . . . . ?
C34 C33 C38 C42 178.4(7) . . . . ?
C34 C35 C36 C37 -1.4(14) . . . . ?
C35 C34 C39 C40 76.6(10) . . . . ?
C35 C34 C39 C41 -47.0(11) . . . . ?
C35 C36 C37 C38 2.6(14) . . . . ?
C36 C37 C38 C33 -1.1(13) . . . . ?
C36 C37 C38 C42 178.9(8) . . . . ?
C37 C38 C42 C43 -67.2(10) . . . . ?
C37 C38 C42 C44 59.4(11) . . . . ?
C38 C33 C34 C35 2.8(12) . . . . ?
C38 C33 C34 C39 -176.8(7) . . . . ?
C39 C34 C35 C36 178.4(8) . . . . ?
F3A F15A C52A F6A -176(2) . . . . ?
F3A F15A C52A F21A -63(2) . . . . ?
F3A F15A C52A C49A 58(3) . . . . ?
F15A F3A C51A F10A -100(3) . . . . ?
F15A F3A C51A F30A 138(3) . . . . ?
F15A F3A C51A C49A 20(3) . . . . ?
F15A F3A C52A F6A 10(6) . . . . ?
F15A F3A C52A F21A 115(2) . . . . ?
F15A F3A C52A C49A -131(2) . . . . ?
C50A C49A C51A F10A -16(3) . . . . ?
C50A C49A C51A F30A 167(2) . . . . ?
C50A C49A C51A F3A -102(2) . . . . ?
C50A C49A C52A F6A -58(3) . . . . ?
C50A C49A C52A F21A 175(2) . . . . ?
C50A C49A C52A F3A 105.2(19) . . . . ?
C50A C49A C52A F15A 60(3) . . . . ?
C51A F3A F15A C52A -45(3) . . . . ?
C51A F3A C52A F6A 153(6) . . . . ?
C51A F3A C52A F21A -102(2) . . . . ?
C51A F3A C52A F15A 143(3) . . . . ?
C51A F3A C52A C49A 12.5(17) . . . . ?
C51A C49A C50A F32A -68(3) . . . . ?
C51A C49A C50A F23A 58(3) . . . . ?
C51A C49A C50A F17A 169(3) . . . . ?
C51A C49A C52A F6A -177(2) . . . . ?
C51A C49A C52A F21A 57(2) . . . . ?
C51A C49A C52A F3A -13.3(18) . . . . ?
C51A C49A C52A F15A -59(3) . . . . ?
C52A F3A C51A F10A -131(2) . . . . ?
C52A F3A C51A F30A 106(2) . . . . ?
C52A F3A C51A C49A -11.3(15) . . . . ?
C52A C49A C50A F32A 177(3) . . . . ?
C52A C49A C50A F23A -56(3) . . . . ?
C52A C49A C50A F17A 54(3) . . . . ?
C52A C49A C51A F10A 102(3) . . . . ?
C52A C49A C51A F30A -75(3) . . . . ?
C52A C49A C51A F3A 15(2) . . . . ?

_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_cxy5403_0m
_database_code_depnum_ccdc_archive 'CCDC 2401592'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-10-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1(C33 H54 Au F2 Ge N3 Si2), 1[CHCl3]'
_chemical_formula_sum            'C34 H55 Au Cl3 F2 Ge N3 Si2'
_chemical_formula_weight         975.89
_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 0.0137 0.0067 '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 -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3294 0.5404 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6937(12)
_cell_length_b                   17.289(2)
_cell_length_c                   24.936(3)
_cell_angle_alpha                70.706(4)
_cell_angle_beta                 78.905(4)
_cell_angle_gamma                81.874(5)
_cell_volume                     4254.9(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9710
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      56.92
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.634
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.4571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1525 before and 0.0975 after correction.
The Ratio of minimum to maximum transmission is 0.6085.
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    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0887
_diffrn_reflns_av_unetI/netI     0.0568
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            85057
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         56.982
_diffrn_reflns_theta_min         1.653
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON III area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_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           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   'microfocus Metaljet'
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_type              'Incoatec Metaljet'
_diffrn_source_voltage           69.88
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14473
_reflns_number_total             17305
_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 V8.40B (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         2.657
_refine_diff_density_min         -2.369
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     871
_refine_ls_number_reflns         17305
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.057
_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)+(0.0621P)²+11.2755P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1326
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Au1-Ge1 \\sim Au1-Ge1A
 with sigma of 0.02
 Ge1-N1 \\sim Ge1A-N1A
 with sigma of 0.02
 Si1-N1 \\sim Si1A-N1A
 with sigma of 0.02
 Ge2-N6 \\sim Ge2A-N6A
 with sigma of 0.02
 Ge1-F2 \\sim Ge1A-F1
 with sigma of 0.02
 Si2-N1 \\sim Si2A-N1A
 with sigma of 0.02
 F2-N1 \\sim F1-N1A
 with sigma of 0.04
 Si3-N6 \\sim Si3A-N6A
 with sigma of 0.02
 F4-N1 \\sim F3-N1A
 with sigma of 0.04
 Ge1-F4 \\sim Ge1A-F3
 with sigma of 0.02
 N1-C4 \\sim N1A-C4A
 with sigma of 0.04
 Si4-N6 \\sim Si4A-N6A
 with sigma of 0.02
 Si4-C37 \\sim Si4A-C37A
 with sigma of 0.02
 N1-C1 \\sim N1A-C1A
 with sigma of 0.04
 N1-C5 \\sim N1A-C5A
 with sigma of 0.04
 N1-C2 \\sim N1A-C2A
 with sigma of 0.04
 Si4-C38 \\sim Si4A-C38A
 with sigma of 0.02
 N1-C6 \\sim N1A-C6A
 with sigma of 0.04
 Si1-C1 \\sim Si1A-C1A
 with sigma of 0.02
 N1-C3 \\sim N1A-C3A
 with sigma of 0.04
 Si4-C39 \\sim Si4A-C39A
 with sigma of 0.02
 Si1-C2 \\sim Si1A-C2A
 with sigma of 0.02
 F6-N6 \\sim F8-N6A
 with sigma of 0.04
 Si1-C3 \\sim Si1A-C3A
 with sigma of 0.02
 N6-F5 \\sim N6A-F7
 with sigma of 0.04
 N6-C37 \\sim N6A-C37A
 with sigma of 0.04
 N6-C34 \\sim N6A-C34A
 with sigma of 0.04
 Si2-C4 \\sim Si2A-C4A
 with sigma of 0.02
 N6-C38 \\sim N6A-C38A
 with sigma of 0.04
 Si2-C5 \\sim Si2A-C5A
 with sigma of 0.02
 Si2-C6 \\sim Si2A-C6A
 with sigma of 0.02
 N6-C35 \\sim N6A-C35A
 with sigma of 0.04
 N6-C36 \\sim N6A-C36A
 with sigma of 0.04
 Au1-F2 \\sim Au1-F1
 with sigma of 0.04
 N6-C39 \\sim N6A-C39A
 with sigma of 0.04
 Au1-F4 \\sim Au1-F3
 with sigma of 0.04
 F2-F4 \\sim F1-F3
 with sigma of 0.04
 C4-C5 \\sim C4A-C5A
 with sigma of 0.04
 C4-C6 \\sim C4A-C6A
 with sigma of 0.04
 C1-C2 \\sim C1A-C2A
 with sigma of 0.04
 C1-C3 \\sim C1A-C3A
 with sigma of 0.04
 C5-C6 \\sim C5A-C6A
 with sigma of 0.04
 C2-C3 \\sim C2A-C3A
 with sigma of 0.04
 Au2-Ge2 \\sim Au2-Ge2A
 with sigma of 0.02
 Ge2-F6 \\sim Ge2A-F8
 with sigma of 0.02
 Ge2-F5 \\sim Ge2A-F7
 with sigma of 0.02
 Si3-C34 \\sim Si3A-C34A
 with sigma of 0.02
 Si3-C35 \\sim Si3A-C35A
 with sigma of 0.02
 Si3-C36 \\sim Si3A-C36A
 with sigma of 0.02
 Au2-F6 \\sim Au2-F8
 with sigma of 0.04
 Au2-F5 \\sim Au2-F7
 with sigma of 0.04
 F6-F5 \\sim F8-F7
 with sigma of 0.04
 C37-C38 \\sim C37A-C38A
 with sigma of 0.04
 C37-C39 \\sim C37A-C39A
 with sigma of 0.04
 C34-C35 \\sim C34A-C35A
 with sigma of 0.04
 C34-C36 \\sim C34A-C36A
 with sigma of 0.04
 C38-C39 \\sim C38A-C39A
 with sigma of 0.04
 C35-C36 \\sim C35A-C36A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(N1A)
Uanis(Si4) = Uanis(Si4A)
Uanis(N6) = Uanis(N6A)
Uanis(F1) = Uanis(F2)
Uanis(F3) = Uanis(F4)
Uanis(Ge1) = Uanis(Ge1A)
Uanis(Si2) = Uanis(Si2A)
Uanis(C4) = Uanis(C4A)
Uanis(C5A) = Uanis(C5)
Uanis(C6A) = Uanis(C6)
Uanis(Si1A) = Uanis(Si1)
Uanis(C1) = Uanis(C1A)
Uanis(C2A) = Uanis(C2)
Uanis(C3) = Uanis(C3A)
Uanis(Ge2) = Uanis(Ge2A)
Uanis(F7) = Uanis(F5)
Uanis(F6) = Uanis(F8)
Uanis(Si3) = Uanis(Si3A)
Uanis(C37A) = Uanis(C37)
Uanis(C38) = Uanis(C38A)
Uanis(C39A) = Uanis(C39)
Uanis(C34A) = Uanis(C34)
Uanis(C35A) = Uanis(C35)
Uanis(C36) = Uanis(C36A)
4. Others
 Sof(F1)=Sof(Ge1A)=Sof(F3)=Sof(Si1A)=Sof(C2A)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=
 Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=
 Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=Sof(Si2A)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=
 Sof(H5AC)=Sof(C4A)=Sof(H4AA)=Sof(H4AB)=Sof(H4AC)=Sof(N1A)=1-FVAR(1)
 Sof(Ge1)=Sof(Si1)=Sof(Si2)=Sof(F2)=Sof(F4)=Sof(N1)=Sof(C4)=Sof(H4A)=Sof(H4B)=
 Sof(H4C)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=
 Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(H2C)=Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(H6C)=Sof(C3)=
 Sof(H3A)=Sof(H3B)=Sof(H3C)=FVAR(1)
 Sof(Ge2A)=Sof(Si3A)=Sof(Si4A)=Sof(F8)=Sof(F7)=Sof(C37A)=Sof(H37D)=Sof(H37E)=
 Sof(H37F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=Sof(C38A)=Sof(H38D)=
 Sof(H38E)=Sof(H38F)=Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C39A)=
 Sof(H39D)=Sof(H39E)=Sof(H39F)=Sof(C35A)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(N6A)=
 1-FVAR(2)
 Sof(Ge2)=Sof(Si3)=Sof(Si4)=Sof(F6)=Sof(N6)=Sof(F5)=Sof(C37)=Sof(H37A)=
 Sof(H37B)=Sof(H37C)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C38)=Sof(H38A)=
 Sof(H38B)=Sof(H38C)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C36)=Sof(H36A)=
 Sof(H36B)=Sof(H36C)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C61(H61), C49(H49), C64(H64), C52(H52), C28(H28), C31(H31), C19(H19), C16(H16)
5.b Aromatic/amide H refined with riding coordinates:
 C42(H42), C41(H41), C57(H57), C47(H47), C58(H58), C59(H59), C46(H46),
 C45(H45), C8(H8), C9(H9), C12(H12), C14(H14), C24(H24), C13(H13), C25(H25),
 C26(H26)
5.c Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C34(H34A,H34B,H34C), C38(H38A,H38B,H38C), C65(H65A,H65B,
 H65C), C66(H66A,H66B,H66C), C35(H35A,H35B,H35C), C62(H62A,H62B,H62C), C50(H50A,
 H50B,H50C), C36(H36A,H36B,H36C), C51(H51A,H51B,H51C), C63(H63A,H63B,H63C),
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C39(H39A,H39B,H39C), C4(H4A,H4B,H4C),
  C1(H1A,H1B,H1C), C32(H32A,H32B,H32C), C20(H20A,H20B,H20C), C33(H33A,H33B,
 H33C), C29(H29A,H29B,H29C), C21(H21A,H21B,H21C), C30(H30A,H30B,H30C), C5(H5A,
 H5B,H5C), C2(H2A,H2B,H2C), C6(H6A,H6B,H6C), C3(H3A,H3B,H3C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C), C2A(H2AA,H2AB,H2AC), C1A(H1AA,H1AB,H1AC), C3A(H3AA,
 H3AB,H3AC), C6A(H6AA,H6AB,H6AC), C5A(H5AA,H5AB,H5AC), C4A(H4AA,H4AB,H4AC),
 C37A(H37D,H37E,H37F), C34A(H34D,H34E,H34F), C38A(H38D,H38E,H38F), C36A(H36D,
 H36E,H36F), C39A(H39D,H39E,H39F), C35A(H35D,H35E,H35F)
;
_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 0.54627(2) -0.27086(2) 0.39179(2) 0.03445(8) Uani 1 1 d D . . . .
Ge2 Ge 0.33741(7) -0.25470(6) 0.36702(3) 0.0330(2) Uani 0.8043(15) 1 d D . P A
1
Si3 Si 0.34841(19) -0.35515(12) 0.28648(8) 0.0301(4) Uani 0.8043(15) 1 d D . P
A 1
Si4 Si 0.26350(18) -0.16661(11) 0.24749(7) 0.0329(4) Uani 0.8043(15) 1 d D . P
A 1
N9 N 0.8318(4) -0.3159(3) 0.37432(16) 0.0277(8) Uani 1 1 d . . . . .
N10 N 0.7892(4) -0.2382(3) 0.42764(17) 0.0298(9) Uani 1 1 d . . . . .
F6 F 0.2242(4) -0.3210(3) 0.41500(17) 0.0553(12) Uani 0.8043(15) 1 d D . P A 1
N6 N 0.3140(8) -0.2587(3) 0.2955(2) 0.0301(12) Uani 0.8043(15) 1 d D . P A 1
F5 F 0.2459(5) -0.1623(3) 0.3709(2) 0.0600(13) Uani 0.8043(15) 1 d D . P A 1
C40 C 0.7337(4) -0.2751(3) 0.39929(19) 0.0272(10) Uani 1 1 d . . . . .
C42 C 0.9210(5) -0.2559(4) 0.4207(2) 0.0352(12) Uani 1 1 d . . . . .
H42 H 0.979936 -0.237094 0.436648 0.042 Uiso 1 1 calc R U . . .
C41 C 0.9495(5) -0.3050(3) 0.3867(2) 0.0325(11) Uani 1 1 d . . . . .
H41 H 1.031741 -0.327411 0.373923 0.039 Uiso 1 1 calc R U . . .
C37 C 0.0957(8) -0.1297(9) 0.2700(7) 0.0418(14) Uani 0.8043(15) 1 d D . P A 1
H37A H 0.038259 -0.171139 0.273576 0.063 Uiso 0.8043(15) 1 calc R U P A 1
H37B H 0.071777 -0.078117 0.241127 0.063 Uiso 0.8043(15) 1 calc R U P A 1
H37C H 0.088653 -0.120273 0.307186 0.063 Uiso 0.8043(15) 1 calc R U P A 1
C43 C 0.7223(5) -0.1888(4) 0.4639(2) 0.0351(11) Uani 1 1 d . . . . .
C48 C 0.6785(6) -0.2300(4) 0.5212(2) 0.0420(13) Uani 1 1 d . . . . .
C55 C 0.8182(5) -0.3705(3) 0.3430(2) 0.0334(11) Uani 1 1 d . . . . .
C61 C 0.8063(6) -0.4861(4) 0.4380(3) 0.0483(15) Uani 1 1 d . . . . .
H61 H 0.821956 -0.439994 0.451009 0.058 Uiso 1 1 calc R U . . .
C34 C 0.1982(8) -0.4056(7) 0.2943(6) 0.0376(18) Uani 0.8043(15) 1 d D . P A 1
H34A H 0.154329 -0.417902 0.334101 0.056 Uiso 0.8043(15) 1 calc R U P A 1
H34B H 0.220232 -0.456705 0.284419 0.056 Uiso 0.8043(15) 1 calc R U P A 1
H34C H 0.141781 -0.368333 0.268396 0.056 Uiso 0.8043(15) 1 calc R U P A 1
C38 C 0.3688(8) -0.0850(5) 0.2389(4) 0.047(2) Uani 0.8043(15) 1 d D . P A 1
H38A H 0.375064 -0.082007 0.276893 0.070 Uiso 0.8043(15) 1 calc R U P A 1
H38B H 0.332708 -0.031938 0.215762 0.070 Uiso 0.8043(15) 1 calc R U P A 1
H38C H 0.454219 -0.098094 0.219666 0.070 Uiso 0.8043(15) 1 calc R U P A 1
C57 C 0.7997(6) -0.3917(5) 0.2551(3) 0.0505(16) Uani 1 1 d . . . . .
H57 H 0.797360 -0.371326 0.214944 0.061 Uiso 1 1 calc R U . . .
C49 C 0.6836(7) -0.3229(4) 0.5456(2) 0.0503(15) Uani 1 1 d . . . . .
H49 H 0.737020 -0.345754 0.515811 0.060 Uiso 1 1 calc R U . . .
C56 C 0.8150(5) -0.3372(4) 0.2837(2) 0.0388(13) Uani 1 1 d . . . . .
C47 C 0.6240(6) -0.1808(5) 0.5562(3) 0.0533(17) Uani 1 1 d . . . . .
H47 H 0.591403 -0.205940 0.595538 0.064 Uiso 1 1 calc R U . . .
C65 C 0.6962(6) -0.2019(4) 0.2392(2) 0.0477(14) Uani 1 1 d . . . . .
H65A H 0.659520 -0.226720 0.216247 0.072 Uiso 1 1 calc R U . . .
H65B H 0.706122 -0.143724 0.217994 0.072 Uiso 1 1 calc R U . . .
H65C H 0.639189 -0.206765 0.275753 0.072 Uiso 1 1 calc R U . . .
C66 C 0.9207(6) -0.2326(6) 0.1945(2) 0.063(2) Uani 1 1 d . . . . .
H66A H 1.004680 -0.259817 0.202913 0.094 Uiso 1 1 calc R U . . .
H66B H 0.927823 -0.173500 0.175741 0.094 Uiso 1 1 calc R U . . .
H66C H 0.890041 -0.255728 0.168942 0.094 Uiso 1 1 calc R U . . .
C64 C 0.8258(6) -0.2462(4) 0.2509(2) 0.0425(14) Uani 1 1 d . . . . .
H64 H 0.858908 -0.221251 0.275743 0.051 Uiso 1 1 calc R U . . .
C60 C 0.8062(5) -0.4524(4) 0.3735(3) 0.0427(13) Uani 1 1 d . . . . .
C35 C 0.4439(7) -0.4244(5) 0.3425(3) 0.0439(16) Uani 0.8043(15) 1 d D . P A 1
H35A H 0.527220 -0.403097 0.336958 0.066 Uiso 0.8043(15) 1 calc R U P A 1
H35B H 0.456530 -0.479906 0.339027 0.066 Uiso 0.8043(15) 1 calc R U P A 1
H35C H 0.397771 -0.426413 0.380889 0.066 Uiso 0.8043(15) 1 calc R U P A 1
C58 C 0.7881(7) -0.4722(5) 0.2830(4) 0.066(2) Uani 1 1 d . . . . .
H58 H 0.778995 -0.507747 0.262203 0.079 Uiso 1 1 calc R U . . .
C44 C 0.7120(6) -0.1038(4) 0.4392(3) 0.0444(14) Uani 1 1 d . . . . .
C62 C 0.6767(7) -0.5164(6) 0.4704(4) 0.081(3) Uani 1 1 d . . . . .
H62A H 0.609137 -0.472137 0.459774 0.122 Uiso 1 1 calc R U . . .
H62B H 0.677250 -0.532505 0.511876 0.122 Uiso 1 1 calc R U . . .
H62C H 0.660753 -0.563814 0.460187 0.122 Uiso 1 1 calc R U . . .
C50 C 0.5492(8) -0.3521(5) 0.5566(3) 0.070(2) Uani 1 1 d . . . . .
H50A H 0.495909 -0.333353 0.587346 0.105 Uiso 1 1 calc R U . . .
H50B H 0.555187 -0.412304 0.568235 0.105 Uiso 1 1 calc R U . . .
H50C H 0.510816 -0.329321 0.521398 0.105 Uiso 1 1 calc R U . . .
C59 C 0.7894(6) -0.5037(5) 0.3421(4) 0.063(2) Uani 1 1 d . . . . .
H59 H 0.778835 -0.560377 0.361365 0.076 Uiso 1 1 calc R U . . .
C46 C 0.6177(7) -0.0960(5) 0.5336(3) 0.0608(19) Uani 1 1 d . . . . .
H46 H 0.584540 -0.063628 0.558177 0.073 Uiso 1 1 calc R U . . .
C45 C 0.6580(7) -0.0580(5) 0.4770(3) 0.0546(17) Uani 1 1 d . . . . .
H45 H 0.649664 0.000314 0.462469 0.066 Uiso 1 1 calc R U . . .
C36 C 0.4470(7) -0.3545(5) 0.2159(3) 0.0439(16) Uani 0.8043(15) 1 d D . P A 1
H36A H 0.393041 -0.334283 0.185697 0.066 Uiso 0.8043(15) 1 calc R U P A 1
H36B H 0.483751 -0.410420 0.217983 0.066 Uiso 0.8043(15) 1 calc R U P A 1
H36C H 0.516056 -0.318343 0.207098 0.066 Uiso 0.8043(15) 1 calc R U P A 1
C51 C 0.7469(7) -0.3561(5) 0.6001(3) 0.065(2) Uani 1 1 d . . . . .
H51A H 0.828536 -0.332084 0.592941 0.098 Uiso 1 1 calc R U . . .
H51B H 0.761996 -0.416106 0.610408 0.098 Uiso 1 1 calc R U . . .
H51C H 0.690388 -0.341344 0.631820 0.098 Uiso 1 1 calc R U . . .
C63 C 0.9153(8) -0.5543(5) 0.4529(4) 0.078(3) Uani 1 1 d . . . . .
H63A H 0.907761 -0.597990 0.437077 0.117 Uiso 1 1 calc R U . . .
H63B H 0.909651 -0.577128 0.494831 0.117 Uiso 1 1 calc R U . . .
H63C H 0.997883 -0.531148 0.436432 0.117 Uiso 1 1 calc R U . . .
C52 C 0.7550(7) -0.0608(4) 0.3760(3) 0.0517(15) Uani 1 1 d . . . . .
H52 H 0.801367 -0.103958 0.359145 0.062 Uiso 1 1 calc R U . . .
C53 C 0.6381(8) -0.0270(7) 0.3463(3) 0.082(3) Uani 1 1 d . . . . .
H53A H 0.583368 -0.071467 0.353670 0.122 Uiso 1 1 calc R U . . .
H53B H 0.665525 -0.003821 0.304807 0.122 Uiso 1 1 calc R U . . .
H53C H 0.590257 0.016051 0.361380 0.122 Uiso 1 1 calc R U . . .
C54 C 0.8476(10) 0.0029(7) 0.3650(4) 0.095(3) Uani 1 1 d . . . . .
H54A H 0.807052 0.045281 0.382474 0.142 Uiso 1 1 calc R U . . .
H54B H 0.871465 0.028303 0.323505 0.142 Uiso 1 1 calc R U . . .
H54C H 0.924278 -0.023320 0.382058 0.142 Uiso 1 1 calc R U . . .
C39 C 0.2709(9) -0.1788(5) 0.1750(3) 0.0491(18) Uani 0.8043(15) 1 d D . P A 1
H39A H 0.360391 -0.186842 0.158065 0.074 Uiso 0.8043(15) 1 calc R U P A 1
H39B H 0.229945 -0.129246 0.149966 0.074 Uiso 0.8043(15) 1 calc R U P A 1
H39C H 0.226067 -0.226571 0.179093 0.074 Uiso 0.8043(15) 1 calc R U P A 1
Au1 Au 1.04314(2) 0.27760(2) 0.10994(2) 0.03381(8) Uani 1 1 d D . . . .
Ge1 Ge 0.83226(9) 0.24516(7) 0.10995(6) 0.0315(2) Uani 0.6896(17) 1 d D . P B 1
Si1 Si 0.8375(3) 0.19780(17) 0.00257(15) 0.0266(6) Uani 0.6896(17) 1 d D . P B
1
Si2 Si 0.7555(2) 0.07353(13) 0.12603(8) 0.0261(4) Uani 0.6896(17) 1 d D . P B 1
F2 F 0.7244(5) 0.3282(3) 0.0792(3) 0.0621(16) Uani 0.6896(17) 1 d D . P B 1
F4 F 0.7367(5) 0.2123(4) 0.1785(3) 0.0639(16) Uani 0.6896(17) 1 d D . P B 1
N4 N 1.3319(4) 0.2775(3) 0.07508(18) 0.0288(9) Uani 1 1 d . . . . .
N1 N 0.8063(14) 0.1669(4) 0.0778(3) 0.0270(9) Uani 0.6896(17) 1 d D . P B 1
N5 N 1.2785(4) 0.3016(3) 0.15523(19) 0.0318(9) Uani 1 1 d . . . . .
C7 C 1.2286(5) 0.2868(3) 0.1141(2) 0.0292(10) Uani 1 1 d . . . . .
C8 C 1.4441(5) 0.2863(3) 0.0916(2) 0.0355(11) Uani 1 1 d . . . . .
H8 H 1.528295 0.282015 0.071327 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5883(8) 0.0850(11) 0.1635(6) 0.041(2) Uani 0.6896(17) 1 d D . P B 1
H4A H 0.579947 0.129896 0.180118 0.062 Uiso 0.6896(17) 1 calc R U P B 1
H4B H 0.568447 0.033684 0.194159 0.062 Uiso 0.6896(17) 1 calc R U P B 1
H4C H 0.528666 0.097575 0.135817 0.062 Uiso 0.6896(17) 1 calc R U P B 1
C9 C 1.4109(5) 0.3019(4) 0.1418(3) 0.0387(12) Uani 1 1 d . . . . .
H9 H 1.466797 0.311319 0.163956 0.046 Uiso 1 1 calc R U . . .
C10 C 1.2033(5) 0.3169(4) 0.2061(2) 0.0365(12) Uani 1 1 d . . . . .
C23 C 1.3190(5) 0.1870(4) 0.0187(2) 0.0364(12) Uani 1 1 d . . . . .
C28 C 1.3237(6) 0.4223(4) -0.0232(3) 0.0507(15) Uani 1 1 d . . . . .
H28 H 1.335608 0.415644 0.016934 0.061 Uiso 1 1 calc R U . . .
C1 C 0.6868(12) 0.2296(12) -0.0297(8) 0.044(2) Uani 0.6896(17) 1 d D . P B 1
H1A H 0.627801 0.186322 -0.012011 0.066 Uiso 0.6896(17) 1 calc R U P B 1
H1B H 0.706929 0.238273 -0.071235 0.066 Uiso 0.6896(17) 1 calc R U P B 1
H1C H 0.646812 0.280761 -0.022867 0.066 Uiso 0.6896(17) 1 calc R U P B 1
C22 C 1.3250(5) 0.2665(3) 0.0208(2) 0.0323(11) Uani 1 1 d . . . . .
C11 C 1.1569(5) 0.3979(4) 0.2027(3) 0.0426(14) Uani 1 1 d . . . . .
C12 C 1.0856(6) 0.4121(4) 0.2521(3) 0.0486(15) Uani 1 1 d . . . . .
H12 H 1.050842 0.466178 0.251077 0.058 Uiso 1 1 calc R U . . .
C14 C 1.1131(7) 0.2685(5) 0.3050(3) 0.0551(17) Uani 1 1 d . . . . .
H14 H 1.096997 0.225330 0.340191 0.066 Uiso 1 1 calc R U . . .
C24 C 1.3151(6) 0.1795(5) -0.0349(3) 0.0511(16) Uani 1 1 d . . . . .
H24 H 1.310573 0.126828 -0.038180 0.061 Uiso 1 1 calc R U . . .
C32 C 1.4174(6) 0.0426(4) 0.0616(3) 0.0534(16) Uani 1 1 d . . . . .
H32A H 1.389746 0.017582 0.036272 0.080 Uiso 1 1 calc R U . . .
H32B H 1.427743 0.000549 0.098429 0.080 Uiso 1 1 calc R U . . .
H32C H 1.499138 0.066085 0.043459 0.080 Uiso 1 1 calc R U . . .
C27 C 1.3253(5) 0.3368(4) -0.0271(2) 0.0418(13) Uani 1 1 d . . . . .
C31 C 1.3163(6) 0.1109(4) 0.0718(3) 0.0427(13) Uani 1 1 d . . . . .
H31 H 1.335887 0.126973 0.104161 0.051 Uiso 1 1 calc R U . . .
C20 C 1.0514(7) 0.4943(4) 0.1225(4) 0.0626(19) Uani 1 1 d . . . . .
H20A H 1.020236 0.446583 0.117904 0.094 Uiso 1 1 calc R U . . .
H20B H 1.066443 0.536688 0.085002 0.094 Uiso 1 1 calc R U . . .
H20C H 0.987423 0.516409 0.148731 0.094 Uiso 1 1 calc R U . . .
C13 C 1.0658(7) 0.3486(5) 0.3020(3) 0.0573(18) Uani 1 1 d . . . . .
H13 H 1.018356 0.359383 0.335443 0.069 Uiso 1 1 calc R U . . .
C19 C 1.1746(6) 0.4685(4) 0.1470(3) 0.0462(14) Uani 1 1 d . . . . .
H19 H 1.238395 0.448010 0.118732 0.055 Uiso 1 1 calc R U . . .
C15 C 1.1842(6) 0.2513(4) 0.2567(3) 0.0451(14) Uani 1 1 d . . . . .
C33 C 1.1824(6) 0.0786(4) 0.0897(4) 0.062(2) Uani 1 1 d . . . . .
H33A H 1.118770 0.122148 0.096856 0.094 Uiso 1 1 calc R U . . .
H33B H 1.181478 0.031302 0.124806 0.094 Uiso 1 1 calc R U . . .
H33C H 1.161942 0.061634 0.058769 0.094 Uiso 1 1 calc R U . . .
C25 C 1.3178(7) 0.2472(6) -0.0830(3) 0.066(2) Uani 1 1 d . . . . .
H25 H 1.316933 0.240321 -0.119192 0.080 Uiso 1 1 calc R U . . .
C26 C 1.3217(7) 0.3249(5) -0.0802(3) 0.0596(19) Uani 1 1 d . . . . .
H26 H 1.321939 0.370893 -0.114138 0.072 Uiso 1 1 calc R U . . .
C29 C 1.4319(8) 0.4698(5) -0.0630(4) 0.080(3) Uani 1 1 d . . . . .
H29A H 1.513875 0.439183 -0.054366 0.120 Uiso 1 1 calc R U . . .
H29B H 1.427798 0.523668 -0.057323 0.120 Uiso 1 1 calc R U . . .
H29C H 1.424305 0.477435 -0.102958 0.120 Uiso 1 1 calc R U . . .
C16 C 1.2364(7) 0.1636(4) 0.2595(3) 0.0520(16) Uani 1 1 d . . . . .
H16 H 1.288309 0.166317 0.221070 0.062 Uiso 1 1 calc R U . . .
C21 C 1.2274(7) 0.5432(5) 0.1532(4) 0.064(2) Uani 1 1 d . . . . .
H21A H 1.165855 0.565737 0.180025 0.096 Uiso 1 1 calc R U . . .
H21B H 1.241009 0.585485 0.115606 0.096 Uiso 1 1 calc R U . . .
H21C H 1.308724 0.525860 0.168073 0.096 Uiso 1 1 calc R U . . .
C30 C 1.1930(8) 0.4704(5) -0.0318(4) 0.079(2) Uani 1 1 d . . . . .
H30A H 1.180334 0.482117 -0.071746 0.119 Uiso 1 1 calc R U . . .
H30B H 1.189955 0.522159 -0.023421 0.119 Uiso 1 1 calc R U . . .
H30C H 1.125275 0.437446 -0.005845 0.119 Uiso 1 1 calc R U . . .
C5 C 0.8643(8) 0.0291(6) 0.1815(3) 0.0453(19) Uani 0.6896(17) 1 d D . P B 1
H5A H 0.946150 0.008016 0.163878 0.068 Uiso 0.6896(17) 1 calc R U P B 1
H5B H 0.824658 -0.015860 0.212937 0.068 Uiso 0.6896(17) 1 calc R U P B 1
H5C H 0.878949 0.071987 0.196785 0.068 Uiso 0.6896(17) 1 calc R U P B 1
C2 C 0.9410(10) 0.2855(6) -0.0245(4) 0.052(2) Uani 0.6896(17) 1 d D . P B 1
H2A H 0.901840 0.329073 -0.008021 0.079 Uiso 0.6896(17) 1 calc R U P B 1
H2B H 0.949928 0.306960 -0.066498 0.079 Uiso 0.6896(17) 1 calc R U P B 1
H2C H 1.025563 0.266386 -0.013020 0.079 Uiso 0.6896(17) 1 calc R U P B 1
C6 C 0.7601(9) -0.0046(5) 0.0888(4) 0.0432(18) Uani 0.6896(17) 1 d D . P B 1
H6A H 0.720535 0.020289 0.053979 0.065 Uiso 0.6896(17) 1 calc R U P B 1
H6B H 0.713042 -0.051092 0.114563 0.065 Uiso 0.6896(17) 1 calc R U P B 1
H6C H 0.849124 -0.024094 0.078249 0.065 Uiso 0.6896(17) 1 calc R U P B 1
C3 C 0.9264(12) 0.1147(6) -0.0255(4) 0.062(3) Uani 0.6896(17) 1 d D . P B 1
H3A H 0.981867 0.079912 0.001811 0.093 Uiso 0.6896(17) 1 calc R U P B 1
H3B H 0.978712 0.139263 -0.062684 0.093 Uiso 0.6896(17) 1 calc R U P B 1
H3C H 0.865402 0.081131 -0.030360 0.093 Uiso 0.6896(17) 1 calc R U P B 1
C17 C 1.3257(12) 0.1272(7) 0.3037(5) 0.108(4) Uani 1 1 d . . . . .
H17A H 1.384831 0.167725 0.300137 0.161 Uiso 1 1 calc R U . . .
H17B H 1.374459 0.077872 0.297097 0.161 Uiso 1 1 calc R U . . .
H17C H 1.275600 0.112561 0.342378 0.161 Uiso 1 1 calc R U . . .
C18 C 1.1275(10) 0.1105(6) 0.2680(6) 0.105(4) Uani 1 1 d . . . . .
H18A H 1.070803 0.109332 0.304107 0.157 Uiso 1 1 calc R U . . .
H18B H 1.162658 0.054491 0.269473 0.157 Uiso 1 1 calc R U . . .
H18C H 1.079001 0.133670 0.235855 0.157 Uiso 1 1 calc R U . . .
F1 F 0.7874(11) 0.3481(6) 0.0238(6) 0.0621(16) Uani 0.3104(17) 1 d D . P B 2
Ge1A Ge 0.8429(2) 0.27372(17) 0.08416(13) 0.0315(2) Uani 0.3104(17) 1 d D . P B
2
F3 F 0.7068(11) 0.2881(9) 0.1354(6) 0.0639(16) Uani 0.3104(17) 1 d D . P B 2
Si1A Si 0.8168(9) 0.1772(5) 0.0057(4) 0.0266(6) Uani 0.3104(17) 1 d D . P B 2
C2A C 0.9603(18) 0.2294(13) -0.0413(8) 0.052(2) Uani 0.3104(17) 1 d D . P B 2
H2AA H 0.948214 0.288166 -0.045120 0.079 Uiso 0.3104(17) 1 calc R U P B 2
H2AB H 0.970340 0.222493 -0.079359 0.079 Uiso 0.3104(17) 1 calc R U P B 2
H2AC H 1.036988 0.204838 -0.023779 0.079 Uiso 0.3104(17) 1 calc R U P B 2
C1A C 0.670(3) 0.235(3) -0.0247(19) 0.044(2) Uani 0.3104(17) 1 d D . P B 2
H1AA H 0.594061 0.207083 -0.001772 0.066 Uiso 0.3104(17) 1 calc R U P B 2
H1AB H 0.677048 0.235225 -0.064585 0.066 Uiso 0.3104(17) 1 calc R U P B 2
H1AC H 0.662231 0.291069 -0.023404 0.066 Uiso 0.3104(17) 1 calc R U P B 2
C3A C 0.829(2) 0.0740(10) -0.0032(8) 0.062(3) Uani 0.3104(17) 1 d D . P B 2
H3AA H 0.916013 0.048565 -0.000922 0.093 Uiso 0.3104(17) 1 calc R U P B 2
H3AB H 0.806686 0.079449 -0.040804 0.093 Uiso 0.3104(17) 1 calc R U P B 2
H3AC H 0.769017 0.039526 0.027266 0.093 Uiso 0.3104(17) 1 calc R U P B 2
C6A C 0.8549(18) -0.0065(9) 0.1284(8) 0.0432(18) Uani 0.3104(17) 1 d D . P B 2
H6AA H 0.948287 -0.008737 0.123929 0.065 Uiso 0.3104(17) 1 calc R U P B 2
H6AB H 0.830249 -0.012119 0.094097 0.065 Uiso 0.3104(17) 1 calc R U P B 2
H6AC H 0.823548 -0.051501 0.162276 0.065 Uiso 0.3104(17) 1 calc R U P B 2
Si2A Si 0.7837(5) 0.0939(3) 0.1379(2) 0.0261(4) Uani 0.3104(17) 1 d D . P B 2
C5A C 0.8656(18) 0.1088(12) 0.1938(7) 0.0453(19) Uani 0.3104(17) 1 d D . P B 2
H5AA H 0.853640 0.061978 0.229068 0.068 Uiso 0.3104(17) 1 calc R U P B 2
H5AB H 0.828564 0.159549 0.202171 0.068 Uiso 0.3104(17) 1 calc R U P B 2
H5AC H 0.957153 0.112695 0.179294 0.068 Uiso 0.3104(17) 1 calc R U P B 2
C4A C 0.6120(17) 0.083(3) 0.1701(16) 0.041(2) Uani 0.3104(17) 1 d D . P B 2
H4AA H 0.559164 0.101489 0.139458 0.062 Uiso 0.3104(17) 1 calc R U P B 2
H4AB H 0.586500 0.115695 0.196254 0.062 Uiso 0.3104(17) 1 calc R U P B 2
H4AC H 0.600321 0.024668 0.191578 0.062 Uiso 0.3104(17) 1 calc R U P B 2
Ge2A Ge 0.3440(3) -0.3046(3) 0.38167(15) 0.0330(2) Uani 0.1957(15) 1 d D . P A
2
Si3A Si 0.3144(8) -0.3318(6) 0.2706(4) 0.0301(4) Uani 0.1957(15) 1 d D . P A 2
Si4A Si 0.2640(7) -0.1561(4) 0.2850(3) 0.0329(4) Uani 0.1957(15) 1 d D . P A 2
F8 F 0.3044(15) -0.4077(9) 0.4007(7) 0.0553(12) Uani 0.1957(15) 1 d D . P A 2
F7 F 0.2079(16) -0.2777(14) 0.4267(8) 0.0600(13) Uani 0.1957(15) 1 d D . P A 2
C37A C 0.098(2) -0.127(4) 0.268(3) 0.0418(14) Uani 0.1957(15) 1 d D . P A 2
H37D H 0.069988 -0.171976 0.257963 0.063 Uiso 0.1957(15) 1 calc R U P A 2
H37E H 0.097268 -0.076957 0.234794 0.063 Uiso 0.1957(15) 1 calc R U P A 2
H37F H 0.040706 -0.118246 0.301018 0.063 Uiso 0.1957(15) 1 calc R U P A 2
C34A C 0.179(4) -0.399(3) 0.294(2) 0.0376(18) Uani 0.1957(15) 1 d D . P A 2
H34D H 0.098008 -0.365101 0.288424 0.056 Uiso 0.1957(15) 1 calc R U P A 2
H34E H 0.175943 -0.431234 0.334673 0.056 Uiso 0.1957(15) 1 calc R U P A 2
H34F H 0.191106 -0.436831 0.270919 0.056 Uiso 0.1957(15) 1 calc R U P A 2
C38A C 0.271(3) -0.1164(19) 0.3462(11) 0.047(2) Uani 0.1957(15) 1 d D . P A 2
H38D H 0.188225 -0.120196 0.371403 0.070 Uiso 0.1957(15) 1 calc R U P A 2
H38E H 0.291481 -0.058838 0.330786 0.070 Uiso 0.1957(15) 1 calc R U P A 2
H38F H 0.337540 -0.149435 0.368261 0.070 Uiso 0.1957(15) 1 calc R U P A 2
C36A C 0.323(3) -0.2781(17) 0.1917(7) 0.0439(16) Uani 0.1957(15) 1 d D . P A 2
H36D H 0.289012 -0.312091 0.174023 0.066 Uiso 0.1957(15) 1 calc R U P A 2
H36E H 0.411629 -0.268835 0.174232 0.066 Uiso 0.1957(15) 1 calc R U P A 2
H36F H 0.271239 -0.225123 0.185490 0.066 Uiso 0.1957(15) 1 calc R U P A 2
C39A C 0.375(4) -0.098(2) 0.2228(11) 0.0491(18) Uani 0.1957(15) 1 d D . P A 2
H39D H 0.463056 -0.112432 0.230938 0.074 Uiso 0.1957(15) 1 calc R U P A 2
H39E H 0.353542 -0.038892 0.215967 0.074 Uiso 0.1957(15) 1 calc R U P A 2
H39F H 0.367777 -0.111932 0.188555 0.074 Uiso 0.1957(15) 1 calc R U P A 2
C35A C 0.468(2) -0.3985(16) 0.2786(12) 0.0439(16) Uani 0.1957(15) 1 d D . P A 2
H35D H 0.461783 -0.437577 0.317663 0.066 Uiso 0.1957(15) 1 calc R U P A 2
H35E H 0.538286 -0.364162 0.271849 0.066 Uiso 0.1957(15) 1 calc R U P A 2
H35F H 0.483819 -0.428831 0.250666 0.066 Uiso 0.1957(15) 1 calc R U P A 2
N6A N 0.301(4) -0.2613(9) 0.3080(7) 0.0301(12) Uani 0.1957(15) 1 d D . P A 2
N1A N 0.809(3) 0.1765(8) 0.0758(5) 0.0270(9) Uani 0.3104(17) 1 d D . P B 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
Au2 Ge2 2.3850(8) . ?
Au2 C40 2.038(5) . ?
Au2 Ge2A 2.397(3) . ?
Ge2 F6 1.772(4) . ?
Ge2 N6 1.871(5) . ?
Ge2 F5 1.772(5) . ?
Si3 N6 1.736(5) . ?
Si3 C34 1.882(7) . ?
Si3 C35 1.879(7) . ?
Si3 C36 1.866(7) . ?
Si4 N6 1.734(5) . ?
Si4 C37 1.863(9) . ?
Si4 C38 1.861(7) . ?
Si4 C39 1.873(7) . ?
N9 C40 1.347(6) . ?
N9 C41 1.403(6) . ?
N9 C55 1.446(6) . ?
N10 C40 1.351(6) . ?
N10 C42 1.389(6) . ?
N10 C43 1.467(6) . ?
C42 H42 0.9500 . ?
C42 C41 1.355(7) . ?
C41 H41 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C43 C48 1.389(8) . ?
C43 C44 1.390(9) . ?
C48 C49 1.514(9) . ?
C48 C47 1.407(8) . ?
C55 C56 1.404(7) . ?
C55 C60 1.380(8) . ?
C61 H61 1.0000 . ?
C61 C60 1.518(9) . ?
C61 C62 1.530(9) . ?
C61 C63 1.542(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C57 H57 0.9500 . ?
C57 C56 1.398(8) . ?
C57 C58 1.346(11) . ?
C49 H49 1.0000 . ?
C49 C50 1.535(10) . ?
C49 C51 1.539(9) . ?
C56 C64 1.525(9) . ?
C47 H47 0.9500 . ?
C47 C46 1.383(11) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65 C64 1.516(8) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C66 C64 1.536(7) . ?
C64 H64 1.0000 . ?
C60 C59 1.413(9) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C58 H58 0.9500 . ?
C58 C59 1.394(12) . ?
C44 C45 1.415(8) . ?
C44 C52 1.513(9) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C59 H59 0.9500 . ?
C46 H46 0.9500 . ?
C46 C45 1.357(10) . ?
C45 H45 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C52 H52 1.0000 . ?
C52 C53 1.522(10) . ?
C52 C54 1.508(11) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Au1 Ge1 2.3995(10) . ?
Au1 C7 2.037(5) . ?
Au1 Ge1A 2.367(3) . ?
Ge1 F2 1.767(5) . ?
Ge1 F4 1.771(5) . ?
Ge1 N1 1.860(6) . ?
Si1 N1 1.750(6) . ?
Si1 C1 1.872(9) . ?
Si1 C2 1.868(9) . ?
Si1 C3 1.866(9) . ?
Si2 N1 1.749(6) . ?
Si2 C4 1.868(9) . ?
Si2 C5 1.878(7) . ?
Si2 C6 1.866(8) . ?
N4 C7 1.354(6) . ?
N4 C8 1.385(6) . ?
N4 C22 1.443(6) . ?
N5 C7 1.350(6) . ?
N5 C9 1.391(7) . ?
N5 C10 1.447(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.338(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C9 H9 0.9500 . ?
C10 C11 1.399(8) . ?
C10 C15 1.393(9) . ?
C23 C22 1.404(8) . ?
C23 C24 1.394(8) . ?
C23 C31 1.526(9) . ?
C28 H28 1.0000 . ?
C28 C27 1.511(9) . ?
C28 C29 1.512(10) . ?
C28 C30 1.536(10) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C22 C27 1.396(8) . ?
C11 C12 1.395(8) . ?
C11 C19 1.516(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.363(10) . ?
C14 H14 0.9500 . ?
C14 C13 1.387(10) . ?
C14 C15 1.393(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.370(11) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C31 1.537(8) . ?
C27 C26 1.413(8) . ?
C31 H31 1.0000 . ?
C31 C33 1.542(8) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C19 1.507(9) . ?
C13 H13 0.9500 . ?
C19 H19 1.0000 . ?
C19 C21 1.544(9) . ?
C15 C16 1.524(9) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.375(11) . ?
C26 H26 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C17 1.517(10) . ?
C16 C18 1.523(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
F1 Ge1A 1.767(11) . ?
Ge1A F3 1.790(10) . ?
Ge1A N1A 1.852(12) . ?
Si1A C2A 1.883(15) . ?
Si1A C1A 1.882(15) . ?
Si1A C3A 1.853(15) . ?
Si1A N1A 1.730(12) . ?
C2A H2AA 0.9800 . ?
C2A H2AB 0.9800 . ?
C2A H2AC 0.9800 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C6A Si2A 1.865(13) . ?
Si2A C5A 1.884(13) . ?
Si2A C4A 1.867(15) . ?
Si2A N1A 1.732(11) . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
Ge2A F8 1.778(14) . ?
Ge2A F7 1.766(14) . ?
Ge2A N6A 1.860(15) . ?
Si3A C34A 1.874(16) . ?
Si3A C36A 1.867(16) . ?
Si3A C35A 1.871(17) . ?
Si3A N6A 1.742(14) . ?
Si4A C37A 1.865(17) . ?
Si4A C38A 1.888(17) . ?
Si4A C39A 1.850(18) . ?
Si4A N6A 1.729(13) . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C38A H38D 0.9800 . ?
C38A H38E 0.9800 . ?
C38A H38F 0.9800 . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?
C39A H39D 0.9800 . ?
C39A H39E 0.9800 . ?
C39A H39F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 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
C40 Au2 Ge2 170.79(13) . . ?
C40 Au2 Ge2A 163.68(18) . . ?
F6 Ge2 Au2 117.22(14) . . ?
F6 Ge2 N6 102.1(3) . . ?
F6 Ge2 F5 95.4(3) . . ?
N6 Ge2 Au2 121.0(2) . . ?
F5 Ge2 Au2 115.03(17) . . ?
F5 Ge2 N6 102.1(2) . . ?
N6 Si3 C34 111.4(4) . . ?
N6 Si3 C35 110.2(3) . . ?
N6 Si3 C36 114.0(3) . . ?
C35 Si3 C34 107.3(5) . . ?
C36 Si3 C34 108.1(5) . . ?
C36 Si3 C35 105.4(4) . . ?
N6 Si4 C37 112.9(5) . . ?
N6 Si4 C38 110.5(4) . . ?
N6 Si4 C39 110.3(3) . . ?
C37 Si4 C39 107.0(5) . . ?
C38 Si4 C37 108.2(5) . . ?
C38 Si4 C39 107.8(4) . . ?
C40 N9 C41 111.7(4) . . ?
C40 N9 C55 124.7(4) . . ?
C41 N9 C55 123.3(4) . . ?
C40 N10 C42 111.4(4) . . ?
C40 N10 C43 126.0(4) . . ?
C42 N10 C43 122.5(4) . . ?
Si3 N6 Ge2 114.6(3) . . ?
Si4 N6 Ge2 116.4(3) . . ?
Si4 N6 Si3 128.9(3) . . ?
N9 C40 Au2 125.6(3) . . ?
N9 C40 N10 104.5(4) . . ?
N10 C40 Au2 129.9(4) . . ?
N10 C42 H42 126.5 . . ?
C41 C42 N10 106.9(5) . . ?
C41 C42 H42 126.5 . . ?
N9 C41 H41 127.3 . . ?
C42 C41 N9 105.5(4) . . ?
C42 C41 H41 127.3 . . ?
Si4 C37 H37A 109.5 . . ?
Si4 C37 H37B 109.5 . . ?
Si4 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C48 C43 N10 117.6(5) . . ?
C48 C43 C44 124.7(5) . . ?
C44 C43 N10 117.6(5) . . ?
C43 C48 C49 123.0(5) . . ?
C43 C48 C47 116.5(6) . . ?
C47 C48 C49 120.4(6) . . ?
C56 C55 N9 118.5(5) . . ?
C60 C55 N9 117.9(5) . . ?
C60 C55 C56 123.6(5) . . ?
C60 C61 H61 107.5 . . ?
C60 C61 C62 111.6(6) . . ?
C60 C61 C63 111.4(6) . . ?
C62 C61 H61 107.5 . . ?
C62 C61 C63 111.2(6) . . ?
C63 C61 H61 107.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C56 C57 H57 119.1 . . ?
C58 C57 H57 119.1 . . ?
C58 C57 C56 121.8(6) . . ?
C48 C49 H49 107.5 . . ?
C48 C49 C50 110.4(6) . . ?
C48 C49 C51 112.3(6) . . ?
C50 C49 H49 107.5 . . ?
C50 C49 C51 111.3(6) . . ?
C51 C49 H49 107.5 . . ?
C55 C56 C64 122.9(5) . . ?
C57 C56 C55 116.8(6) . . ?
C57 C56 C64 120.3(5) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 C48 120.3(6) . . ?
C46 C47 H47 119.9 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
C56 C64 C66 112.1(5) . . ?
C56 C64 H64 107.6 . . ?
C65 C64 C56 111.3(5) . . ?
C65 C64 C66 110.4(5) . . ?
C65 C64 H64 107.6 . . ?
C66 C64 H64 107.6 . . ?
C55 C60 C61 122.4(5) . . ?
C55 C60 C59 116.5(6) . . ?
C59 C60 C61 121.0(6) . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C57 C58 H58 119.8 . . ?
C57 C58 C59 120.5(6) . . ?
C59 C58 H58 119.8 . . ?
C43 C44 C45 115.8(6) . . ?
C43 C44 C52 123.4(5) . . ?
C45 C44 C52 120.8(6) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C60 C59 H59 119.6 . . ?
C58 C59 C60 120.7(7) . . ?
C58 C59 H59 119.6 . . ?
C47 C46 H46 119.3 . . ?
C45 C46 C47 121.4(6) . . ?
C45 C46 H46 119.3 . . ?
C44 C45 H45 119.4 . . ?
C46 C45 C44 121.2(7) . . ?
C46 C45 H45 119.4 . . ?
Si3 C36 H36A 109.5 . . ?
Si3 C36 H36B 109.5 . . ?
Si3 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C44 C52 H52 106.8 . . ?
C44 C52 C53 109.3(6) . . ?
C53 C52 H52 106.8 . . ?
C54 C52 C44 113.6(6) . . ?
C54 C52 H52 106.8 . . ?
C54 C52 C53 113.1(7) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Si4 C39 H39A 109.5 . . ?
Si4 C39 H39B 109.5 . . ?
Si4 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C7 Au1 Ge1 171.50(15) . . ?
C7 Au1 Ge1A 167.99(15) . . ?
F2 Ge1 Au1 116.68(17) . . ?
F2 Ge1 F4 96.1(3) . . ?
F2 Ge1 N1 101.6(4) . . ?
F4 Ge1 Au1 115.47(19) . . ?
F4 Ge1 N1 101.3(3) . . ?
N1 Ge1 Au1 121.5(4) . . ?
N1 Si1 C1 111.8(6) . . ?
N1 Si1 C2 109.6(4) . . ?
N1 Si1 C3 112.4(4) . . ?
C2 Si1 C1 109.3(7) . . ?
C3 Si1 C1 107.2(7) . . ?
C3 Si1 C2 106.3(5) . . ?
N1 Si2 C4 112.2(6) . . ?
N1 Si2 C5 110.4(5) . . ?
N1 Si2 C6 111.5(3) . . ?
C4 Si2 C5 108.8(5) . . ?
C6 Si2 C4 107.2(6) . . ?
C6 Si2 C5 106.5(4) . . ?
C7 N4 C8 111.5(4) . . ?
C7 N4 C22 124.2(4) . . ?
C8 N4 C22 124.2(4) . . ?
Si1 N1 Ge1 114.5(3) . . ?
Si2 N1 Ge1 116.4(3) . . ?
Si2 N1 Si1 129.1(4) . . ?
C7 N5 C9 111.3(4) . . ?
C7 N5 C10 124.2(4) . . ?
C9 N5 C10 124.5(4) . . ?
N4 C7 Au1 126.4(3) . . ?
N5 C7 Au1 129.6(4) . . ?
N5 C7 N4 104.0(4) . . ?
N4 C8 H8 126.7 . . ?
C9 C8 N4 106.6(5) . . ?
C9 C8 H8 126.7 . . ?
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 . . ?
N5 C9 H9 126.7 . . ?
C8 C9 N5 106.5(4) . . ?
C8 C9 H9 126.7 . . ?
C11 C10 N5 118.2(5) . . ?
C15 C10 N5 118.9(5) . . ?
C15 C10 C11 122.9(5) . . ?
C22 C23 C31 122.9(5) . . ?
C24 C23 C22 116.9(6) . . ?
C24 C23 C31 120.3(5) . . ?
C27 C28 H28 106.8 . . ?
C27 C28 C29 113.3(6) . . ?
C27 C28 C30 111.0(6) . . ?
C29 C28 H28 106.8 . . ?
C29 C28 C30 111.8(6) . . ?
C30 C28 H28 106.8 . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C23 C22 N4 119.2(5) . . ?
C27 C22 N4 117.2(5) . . ?
C27 C22 C23 123.6(5) . . ?
C10 C11 C19 122.5(5) . . ?
C12 C11 C10 117.7(6) . . ?
C12 C11 C19 119.7(6) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(6) . . ?
C13 C12 H12 119.9 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(7) . . ?
C15 C14 H14 119.9 . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 120.9(6) . . ?
C25 C24 H24 119.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
C22 C27 C28 122.6(5) . . ?
C22 C27 C26 116.6(6) . . ?
C26 C27 C28 120.7(6) . . ?
C23 C31 C32 111.4(5) . . ?
C23 C31 H31 108.2 . . ?
C23 C31 C33 110.7(6) . . ?
C32 C31 H31 108.2 . . ?
C32 C31 C33 110.0(5) . . ?
C33 C31 H31 108.2 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
C12 C13 C14 121.6(6) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C11 C19 H19 107.4 . . ?
C11 C19 C21 113.3(5) . . ?
C20 C19 C11 110.6(6) . . ?
C20 C19 H19 107.4 . . ?
C20 C19 C21 110.4(6) . . ?
C21 C19 H19 107.4 . . ?
C10 C15 C14 117.4(6) . . ?
C10 C15 C16 121.9(5) . . ?
C14 C15 C16 120.7(6) . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C24 C25 H25 119.2 . . ?
C24 C25 C26 121.6(6) . . ?
C26 C25 H25 119.2 . . ?
C27 C26 H26 119.8 . . ?
C25 C26 C27 120.4(7) . . ?
C25 C26 H26 119.8 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C15 C16 H16 106.9 . . ?
C17 C16 C15 112.2(6) . . ?
C17 C16 H16 106.9 . . ?
C17 C16 C18 113.1(9) . . ?
C18 C16 C15 110.5(6) . . ?
C18 C16 H16 106.9 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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 . . ?
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 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 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
F1 Ge1A Au1 122.1(4) . . ?
F1 Ge1A F3 96.0(7) . . ?
F1 Ge1A N1A 102.0(7) . . ?
F3 Ge1A Au1 115.0(4) . . ?
F3 Ge1A N1A 100.1(9) . . ?
N1A Ge1A Au1 117.5(10) . . ?
C1A Si1A C2A 107.9(14) . . ?
C3A Si1A C2A 106.6(11) . . ?
C3A Si1A C1A 106.0(14) . . ?
N1A Si1A C2A 110.4(10) . . ?
N1A Si1A C1A 110.8(14) . . ?
N1A Si1A C3A 114.8(8) . . ?
Si1A C2A H2AA 109.5 . . ?
Si1A C2A H2AB 109.5 . . ?
Si1A C2A H2AC 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
Si1A C1A H1AA 109.5 . . ?
Si1A C1A H1AB 109.5 . . ?
Si1A C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
Si1A C3A H3AA 109.5 . . ?
Si1A C3A H3AB 109.5 . . ?
Si1A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
Si2A C6A H6AA 109.5 . . ?
Si2A C6A H6AB 109.5 . . ?
Si2A C6A H6AC 109.5 . . ?
C6A Si2A C5A 105.8(9) . . ?
C6A Si2A C4A 107.8(13) . . ?
C4A Si2A C5A 106.6(13) . . ?
N1A Si2A C6A 113.4(9) . . ?
N1A Si2A C5A 108.4(9) . . ?
N1A Si2A C4A 114.3(14) . . ?
Si2A C5A H5AA 109.5 . . ?
Si2A C5A H5AB 109.5 . . ?
Si2A C5A H5AC 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
Si2A C4A H4AA 109.5 . . ?
Si2A C4A H4AB 109.5 . . ?
Si2A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
F8 Ge2A Au2 122.6(6) . . ?
F8 Ge2A N6A 101.1(8) . . ?
F7 Ge2A Au2 116.9(7) . . ?
F7 Ge2A F8 92.8(9) . . ?
F7 Ge2A N6A 104.5(11) . . ?
N6A Ge2A Au2 115.3(12) . . ?
C36A Si3A C34A 107.7(16) . . ?
C36A Si3A C35A 105.5(12) . . ?
C35A Si3A C34A 108.7(17) . . ?
N6A Si3A C34A 113.5(17) . . ?
N6A Si3A C36A 110.8(11) . . ?
N6A Si3A C35A 110.3(13) . . ?
C37A Si4A C38A 106.4(17) . . ?
C39A Si4A C37A 108.1(17) . . ?
C39A Si4A C38A 106.3(13) . . ?
N6A Si4A C37A 112.7(18) . . ?
N6A Si4A C38A 107.5(11) . . ?
N6A Si4A C39A 115.2(15) . . ?
Si4A C37A H37D 109.5 . . ?
Si4A C37A H37E 109.5 . . ?
Si4A C37A H37F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
Si3A C34A H34D 109.5 . . ?
Si3A C34A H34E 109.5 . . ?
Si3A C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
Si4A C38A H38D 109.5 . . ?
Si4A C38A H38E 109.5 . . ?
Si4A C38A H38F 109.5 . . ?
H38D C38A H38E 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 109.5 . . ?
Si3A C36A H36D 109.5 . . ?
Si3A C36A H36E 109.5 . . ?
Si3A C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?
Si4A C39A H39D 109.5 . . ?
Si4A C39A H39E 109.5 . . ?
Si4A C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
Si3A C35A H35D 109.5 . . ?
Si3A C35A H35E 109.5 . . ?
Si3A C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
Si3A N6A Ge2A 115.1(8) . . ?
Si4A N6A Ge2A 115.5(8) . . ?
Si4A N6A Si3A 129.3(9) . . ?
Si1A N1A Ge1A 115.6(6) . . ?
Si1A N1A Si2A 127.3(7) . . ?
Si2A N1A Ge1A 116.9(7) . . ?

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
Au2 Ge2 N6 Si3 69.7(5) . . . . ?
Au2 Ge2 N6 Si4 -109.6(4) . . . . ?
Au2 Ge2A N6A Si3A 105.4(18) . . . . ?
Au2 Ge2A N6A Si4A -71(2) . . . . ?
N9 C55 C56 C57 -179.0(5) . . . . ?
N9 C55 C56 C64 0.3(7) . . . . ?
N9 C55 C60 C61 0.3(8) . . . . ?
N9 C55 C60 C59 178.2(5) . . . . ?
N10 C42 C41 N9 -0.3(6) . . . . ?
N10 C43 C48 C49 -6.9(8) . . . . ?
N10 C43 C48 C47 175.0(5) . . . . ?
N10 C43 C44 C45 -174.1(5) . . . . ?
N10 C43 C44 C52 5.8(9) . . . . ?
F6 Ge2 N6 Si3 -62.7(5) . . . . ?
F6 Ge2 N6 Si4 118.0(4) . . . . ?
F5 Ge2 N6 Si3 -161.0(4) . . . . ?
F5 Ge2 N6 Si4 19.7(5) . . . . ?
C40 N9 C41 C42 0.2(6) . . . . ?
C40 N9 C55 C56 89.4(6) . . . . ?
C40 N9 C55 C60 -89.2(6) . . . . ?
C40 N10 C42 C41 0.3(6) . . . . ?
C40 N10 C43 C48 85.6(7) . . . . ?
C40 N10 C43 C44 -97.0(7) . . . . ?
C42 N10 C40 Au2 -178.6(4) . . . . ?
C42 N10 C40 N9 -0.2(6) . . . . ?
C42 N10 C43 C48 -91.3(6) . . . . ?
C42 N10 C43 C44 86.1(6) . . . . ?
C41 N9 C40 Au2 178.5(3) . . . . ?
C41 N9 C40 N10 0.0(6) . . . . ?
C41 N9 C55 C56 -96.6(6) . . . . ?
C41 N9 C55 C60 84.8(6) . . . . ?
C37 Si4 N6 Ge2 -69.5(6) . . . . ?
C37 Si4 N6 Si3 111.4(8) . . . . ?
C43 N10 C40 Au2 4.3(8) . . . . ?
C43 N10 C40 N9 -177.3(5) . . . . ?
C43 N10 C42 C41 177.6(5) . . . . ?
C43 C48 C49 C50 -106.6(7) . . . . ?
C43 C48 C49 C51 128.6(6) . . . . ?
C43 C48 C47 C46 -0.9(10) . . . . ?
C43 C44 C45 C46 -0.8(10) . . . . ?
C43 C44 C52 C53 106.9(8) . . . . ?
C43 C44 C52 C54 -125.7(8) . . . . ?
C48 C43 C44 C45 3.1(9) . . . . ?
C48 C43 C44 C52 -176.9(6) . . . . ?
C48 C47 C46 C45 3.1(11) . . . . ?
C55 N9 C40 Au2 -6.9(7) . . . . ?
C55 N9 C40 N10 174.6(4) . . . . ?
C55 N9 C41 C42 -174.5(5) . . . . ?
C55 C56 C64 C65 -102.1(6) . . . . ?
C55 C56 C64 C66 133.6(5) . . . . ?
C55 C60 C59 C58 1.4(9) . . . . ?
C61 C60 C59 C58 179.3(6) . . . . ?
C34 Si3 N6 Ge2 103.1(6) . . . . ?
C34 Si3 N6 Si4 -77.8(7) . . . . ?
C38 Si4 N6 Ge2 51.9(5) . . . . ?
C38 Si4 N6 Si3 -127.3(6) . . . . ?
C57 C56 C64 C65 77.1(6) . . . . ?
C57 C56 C64 C66 -47.1(7) . . . . ?
C57 C58 C59 C60 -1.7(10) . . . . ?
C49 C48 C47 C46 -179.0(6) . . . . ?
C56 C55 C60 C61 -178.2(5) . . . . ?
C56 C55 C60 C59 -0.3(8) . . . . ?
C56 C57 C58 C59 0.9(10) . . . . ?
C47 C48 C49 C50 71.4(7) . . . . ?
C47 C48 C49 C51 -53.4(8) . . . . ?
C47 C46 C45 C44 -2.2(12) . . . . ?
C60 C55 C56 C57 -0.5(8) . . . . ?
C60 C55 C56 C64 178.8(5) . . . . ?
C35 Si3 N6 Ge2 -15.9(6) . . . . ?
C35 Si3 N6 Si4 163.2(6) . . . . ?
C58 C57 C56 C55 0.2(9) . . . . ?
C58 C57 C56 C64 -179.1(6) . . . . ?
C44 C43 C48 C49 175.8(6) . . . . ?
C44 C43 C48 C47 -2.2(9) . . . . ?
C62 C61 C60 C55 113.9(7) . . . . ?
C62 C61 C60 C59 -63.9(8) . . . . ?
C45 C44 C52 C53 -73.1(9) . . . . ?
C45 C44 C52 C54 54.2(10) . . . . ?
C36 Si3 N6 Ge2 -134.3(4) . . . . ?
C36 Si3 N6 Si4 44.9(7) . . . . ?
C63 C61 C60 C55 -121.2(7) . . . . ?
C63 C61 C60 C59 61.0(8) . . . . ?
C52 C44 C45 C46 179.2(7) . . . . ?
C39 Si4 N6 Ge2 170.9(4) . . . . ?
C39 Si4 N6 Si3 -8.2(7) . . . . ?
Au1 Ge1 N1 Si1 -72.2(8) . . . . ?
Au1 Ge1 N1 Si2 107.6(7) . . . . ?
Au1 Ge1A N1A Si1A -105.5(16) . . . . ?
Au1 Ge1A N1A Si2A 70.6(19) . . . . ?
F2 Ge1 N1 Si1 59.5(8) . . . . ?
F2 Ge1 N1 Si2 -120.8(7) . . . . ?
F4 Ge1 N1 Si1 158.2(7) . . . . ?
F4 Ge1 N1 Si2 -22.0(9) . . . . ?
N4 C8 C9 N5 0.5(7) . . . . ?
N4 C22 C27 C28 -4.1(8) . . . . ?
N4 C22 C27 C26 178.5(5) . . . . ?
N5 C10 C11 C12 -179.3(5) . . . . ?
N5 C10 C11 C19 4.4(8) . . . . ?
N5 C10 C15 C14 179.0(5) . . . . ?
N5 C10 C15 C16 -2.1(8) . . . . ?
C7 N4 C8 C9 -0.4(7) . . . . ?
C7 N4 C22 C23 -86.4(6) . . . . ?
C7 N4 C22 C27 93.9(6) . . . . ?
C7 N5 C9 C8 -0.5(7) . . . . ?
C7 N5 C10 C11 -88.1(7) . . . . ?
C7 N5 C10 C15 94.3(7) . . . . ?
C8 N4 C7 Au1 -178.9(4) . . . . ?
C8 N4 C7 N5 0.1(6) . . . . ?
C8 N4 C22 C23 98.9(6) . . . . ?
C8 N4 C22 C27 -80.8(7) . . . . ?
C4 Si2 N1 Ge1 69.3(9) . . . . ?
C4 Si2 N1 Si1 -111.0(11) . . . . ?
C9 N5 C7 Au1 179.2(4) . . . . ?
C9 N5 C7 N4 0.3(6) . . . . ?
C9 N5 C10 C11 90.6(7) . . . . ?
C9 N5 C10 C15 -87.1(7) . . . . ?
C10 N5 C7 Au1 -2.0(8) . . . . ?
C10 N5 C7 N4 179.1(5) . . . . ?
C10 N5 C9 C8 -179.3(5) . . . . ?
C10 C11 C12 C13 1.6(9) . . . . ?
C10 C11 C19 C20 104.7(6) . . . . ?
C10 C11 C19 C21 -130.7(6) . . . . ?
C10 C15 C16 C17 121.4(8) . . . . ?
C10 C15 C16 C18 -111.3(8) . . . . ?
C23 C22 C27 C28 176.2(5) . . . . ?
C23 C22 C27 C26 -1.2(8) . . . . ?
C23 C24 C25 C26 -1.4(11) . . . . ?
C28 C27 C26 C25 -177.3(6) . . . . ?
C1 Si1 N1 Ge1 -101.9(10) . . . . ?
C1 Si1 N1 Si2 78.4(12) . . . . ?
C22 N4 C7 Au1 5.8(7) . . . . ?
C22 N4 C7 N5 -175.2(5) . . . . ?
C22 N4 C8 C9 174.9(5) . . . . ?
C22 C23 C24 C25 0.3(9) . . . . ?
C22 C23 C31 C32 -129.4(6) . . . . ?
C22 C23 C31 C33 107.9(6) . . . . ?
C22 C27 C26 C25 0.1(10) . . . . ?
C11 C10 C15 C14 1.5(9) . . . . ?
C11 C10 C15 C16 -179.6(6) . . . . ?
C11 C12 C13 C14 -1.1(10) . . . . ?
C12 C11 C19 C20 -71.5(7) . . . . ?
C12 C11 C19 C21 53.1(8) . . . . ?
C14 C15 C16 C17 -59.7(10) . . . . ?
C14 C15 C16 C18 67.6(9) . . . . ?
C24 C23 C22 N4 -178.7(5) . . . . ?
C24 C23 C22 C27 1.0(8) . . . . ?
C24 C23 C31 C32 50.8(7) . . . . ?
C24 C23 C31 C33 -71.9(7) . . . . ?
C24 C25 C26 C27 1.1(11) . . . . ?
C31 C23 C22 N4 1.5(7) . . . . ?
C31 C23 C22 C27 -178.8(5) . . . . ?
C31 C23 C24 C25 -179.9(6) . . . . ?
C13 C14 C15 C10 -0.9(10) . . . . ?
C13 C14 C15 C16 -179.8(6) . . . . ?
C19 C11 C12 C13 178.0(6) . . . . ?
C15 C10 C11 C12 -1.8(8) . . . . ?
C15 C10 C11 C19 -178.1(5) . . . . ?
C15 C14 C13 C12 0.8(11) . . . . ?
C29 C28 C27 C22 125.5(7) . . . . ?
C29 C28 C27 C26 -57.3(9) . . . . ?
C30 C28 C27 C22 -107.8(7) . . . . ?
C30 C28 C27 C26 69.5(8) . . . . ?
C5 Si2 N1 Ge1 -52.2(9) . . . . ?
C5 Si2 N1 Si1 127.5(10) . . . . ?
C2 Si1 N1 Ge1 19.5(9) . . . . ?
C2 Si1 N1 Si2 -160.2(9) . . . . ?
C6 Si2 N1 Ge1 -170.4(6) . . . . ?
C6 Si2 N1 Si1 9.3(12) . . . . ?
C3 Si1 N1 Ge1 137.5(7) . . . . ?
C3 Si1 N1 Si2 -42.2(12) . . . . ?
F1 Ge1A N1A Si1A 30.9(19) . . . . ?
F1 Ge1A N1A Si2A -153.0(16) . . . . ?
F3 Ge1A N1A Si1A 129.3(16) . . . . ?
F3 Ge1A N1A Si2A -54.6(19) . . . . ?
C2A Si1A N1A Ge1A 43(2) . . . . ?
C2A Si1A N1A Si2A -133(2) . . . . ?
C1A Si1A N1A Ge1A -76(2) . . . . ?
C1A Si1A N1A Si2A 108(3) . . . . ?
C3A Si1A N1A Ge1A 163.5(15) . . . . ?
C3A Si1A N1A Si2A -12(3) . . . . ?
C6A Si2A N1A Ge1A -141.6(15) . . . . ?
C6A Si2A N1A Si1A 34(3) . . . . ?
C5A Si2A N1A Ge1A -25(2) . . . . ?
C5A Si2A N1A Si1A 151(2) . . . . ?
C4A Si2A N1A Ge1A 94(2) . . . . ?
C4A Si2A N1A Si1A -90(2) . . . . ?
F8 Ge2A N6A Si3A -29(2) . . . . ?
F8 Ge2A N6A Si4A 155.1(19) . . . . ?
F7 Ge2A N6A Si3A -124.8(19) . . . . ?
F7 Ge2A N6A Si4A 59(2) . . . . ?
C37A Si4A N6A Ge2A -120(3) . . . . ?
C37A Si4A N6A Si3A 65(3) . . . . ?
C34A Si3A N6A Ge2A 77(3) . . . . ?
C34A Si3A N6A Si4A -107(3) . . . . ?
C38A Si4A N6A Ge2A -3(2) . . . . ?
C38A Si4A N6A Si3A -178(3) . . . . ?
C36A Si3A N6A Ge2A -161.2(18) . . . . ?
C36A Si3A N6A Si4A 14(3) . . . . ?
C39A Si4A N6A Ge2A 115(2) . . . . ?
C39A Si4A N6A Si3A -60(3) . . . . ?
C35A Si3A N6A Ge2A -45(2) . . . . ?
C35A Si3A N6A Si4A 130(3) . . . . ?

_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 0.000 0.000 0.500 704.9 209.0 '4 CHCl3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_231127_zr_2
_database_code_depnum_ccdc_archive 'CCDC 2401591'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-11-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C43 H76 Au Cl Ge N2 Si4), 5(C H Cl3)'
_chemical_formula_sum            'C91 H157 Au2 Cl17 Ge2 N4 Si8'
_chemical_formula_weight         2673.68
_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 0.0137 0.0067 '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 -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   28.7462(15)
_cell_length_b                   17.8390(8)
_cell_length_c                   24.1570(11)
_cell_angle_alpha                90
_cell_angle_beta                 101.624(2)
_cell_angle_gamma                90
_cell_volume                     12133.7(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      60.005
_cell_measurement_theta_min      3.600
_shelx_estimated_absorpt_T_max   0.831
_shelx_estimated_absorpt_T_min   0.627
_exptl_absorpt_coefficient_mu    6.429
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.5114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1018 before and 0.0781 after correction.
The Ratio of minimum to maximum transmission is 0.6801.
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    1.464
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5416
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            152207
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.857
_diffrn_reflns_theta_min         2.699
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20820
_reflns_number_total             27806
_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 V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.027
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         27806
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0578
_refine_ls_restrained_S_all      1.053
_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)+(0.0791P)²+38.6213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1683
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C38-C39 \\sim C38-C39A
 with sigma of 0.02
 C38-C40 \\sim C38-C40A
 with sigma of 0.02
 C84-C86 \\sim C84-C86A
 with sigma of 0.02
 C84-C85 \\sim C84-C85A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C84 \\sim C85A \\sim C85 \\sim C86A \\sim C86: within 2A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 2A
C38 \\sim C40A \\sim C40 \\sim C39A \\sim C39: within 2A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 2A
4. Others
 Sof(H38A)=Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=Sof(C40A)=Sof(H40D)=
 Sof(H40E)=Sof(H40F)=1-FVAR(1)
 Sof(H38)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=Sof(C40)=Sof(H40A)=Sof(H40B)=
 Sof(H40C)=FVAR(1)
 Sof(H84A)=Sof(C85A)=Sof(H85D)=Sof(H85E)=Sof(H85F)=Sof(C86A)=Sof(H86D)=
 Sof(H86E)=Sof(H86F)=1-FVAR(2)
 Sof(H84)=Sof(C86)=Sof(H86A)=Sof(H86B)=Sof(H86C)=Sof(C85)=Sof(H85A)=Sof(H85B)=
 Sof(H85C)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C72(H72), C41(H41), C81(H81), C69(H69), C38(H38), C38(H38A), C26(H26),
 C84(H84), C84(H84A), C29(H29), C91(H91), C87(H87), C89(H89), C90(H90), C88(H88)
5.b Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C46(H46A,H46B), C3(H3A,H3B), C2(H2A,H2B)
5.c Aromatic/amide H refined with riding coordinates:
 C67(H67), C66(H66), C62(H62), C35(H35), C65(H65), C36(H36), C34(H34),
 C19(H19), C77(H77), C18(H18), C79(H79), C78(H78), C61(H61), C22(H22), C23(H23),
  C24(H24)
5.d Idealised Me refined as rotating group:
 C57(H57A,H57B,H57C), C27(H27A,H27B,H27C), C73(H73A,H73B,H73C), C53(H53A,H53B,
 H53C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C82(H82A,H82B,H82C), C51(H51A,
 H51B,H51C), C74(H74A,H74B,H74C), C43(H43A,H43B,H43C), C58(H58A,H58B,H58C),
 C8(H8A,H8B,H8C), C48(H48A,H48B,H48C), C59(H59A,H59B,H59C), C52(H52A,H52B,H52C),
  C42(H42A,H42B,H42C), C55(H55A,H55B,H55C), C28(H28A,H28B,H28C), C83(H83A,H83B,
 H83C), C10(H10A,H10B,H10C), C5(H5A,H5B,H5C), C56(H56A,H56B,H56C), C9(H9A,H9B,
 H9C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C6(H6A,H6B,H6C), C70(H70A,H70B,
 H70C), C12(H12A,H12B,H12C), C54(H54A,H54B,H54C), C15(H15A,H15B,H15C), C13(H13A,
 H13B,H13C), C71(H71A,H71B,H71C), C7(H7A,H7B,H7C), C39(H39A,H39B,H39C),
 C11(H11A,H11B,H11C), C86(H86A,H86B,H86C), C40(H40A,H40B,H40C), C31(H31A,H31B,
 H31C), C85(H85A,H85B,H85C), C30(H30A,H30B,H30C), C39A(H39D,H39E,H39F),
 C40A(H40D,H40E,H40F), C85A(H85D,H85E,H85F), C86A(H86D,H86E,H86F)
;
_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 0.49255(2) 0.71931(2) 0.36432(2) 0.03177(7) Uani 1 1 d . . . . .
Au1 Au 0.00432(2) 0.77960(2) 0.36952(2) 0.03604(7) Uani 1 1 d . . . . .
Ge2 Ge 0.41008(2) 0.73508(4) 0.31950(3) 0.03513(15) Uani 1 1 d . . . . .
Ge1 Ge 0.08509(3) 0.75989(4) 0.35986(3) 0.03923(16) Uani 1 1 d . . . . .
Cl2 Cl 0.41812(6) 0.83760(9) 0.26653(7) 0.0551(4) Uani 1 1 d . . . . .
Cl1 Cl 0.07462(6) 0.64802(9) 0.31424(8) 0.0569(4) Uani 1 1 d . . . . .
Si5 Si 0.37403(6) 0.70709(11) 0.43632(7) 0.0469(4) Uani 1 1 d . . . . .
Si6 Si 0.34833(6) 0.85857(10) 0.37537(8) 0.0465(4) Uani 1 1 d . . . . .
Si7 Si 0.40703(7) 0.58161(10) 0.25248(8) 0.0496(4) Uani 1 1 d . . . . .
Si3 Si 0.13646(7) 0.77329(13) 0.24851(8) 0.0586(5) Uani 1 1 d . . . . .
Si8 Si 0.33856(9) 0.70340(13) 0.19177(8) 0.0641(5) Uani 1 1 d . . . . .
Si1 Si 0.15074(8) 0.64320(13) 0.44707(10) 0.0685(6) Uani 1 1 d . . . . .
Si2 Si 0.13176(9) 0.80378(17) 0.48736(9) 0.0776(7) Uani 1 1 d . . . . .
Si4 Si 0.08863(9) 0.91342(13) 0.28605(10) 0.0703(6) Uani 1 1 d . . . . .
Cl14 Cl 0.84304(9) 0.63385(18) 0.53345(13) 0.1057(9) Uani 1 1 d . . . . .
Cl7 Cl 0.65467(9) 0.87149(18) 0.59483(12) 0.1024(8) Uani 1 1 d . . . . .
Cl5 Cl 0.19880(9) 0.40709(18) 0.31895(13) 0.1050(8) Uani 1 1 d . . . . .
Cl6 Cl 0.72068(11) 0.75934(18) 0.64690(17) 0.1196(11) Uani 1 1 d . . . . .
Cl12 Cl 0.77066(13) 0.7457(2) 0.5019(2) 0.1431(14) Uani 1 1 d . . . . .
Cl11 Cl 0.80935(12) 0.9348(2) 0.4536(2) 0.1574(16) Uani 1 1 d . . . . .
Cl8 Cl 0.75228(12) 0.9085(2) 0.6302(3) 0.181(2) Uani 1 1 d . . . . .
Cl15 Cl 0.70371(15) 0.5938(4) 0.2906(2) 0.200(2) Uani 1 1 d . . . . .
Cl3 Cl 0.29114(13) 0.4611(3) 0.3683(3) 0.209(3) Uani 1 1 d . . . . .
N1 N -0.08982(17) 0.7506(3) 0.40884(19) 0.0375(10) Uani 1 1 d . . . . .
N3 N 0.58730(16) 0.7564(3) 0.44516(18) 0.0361(10) Uani 1 1 d . . . . .
N4 N 0.60018(17) 0.6933(3) 0.3739(2) 0.0398(10) Uani 1 1 d . . . . .
N2 N -0.10262(18) 0.8129(3) 0.33201(19) 0.0398(11) Uani 1 1 d . . . . .
C63 C 0.56455(19) 0.7910(3) 0.4862(2) 0.0346(11) Uani 1 1 d . . . . .
Cl10 Cl 0.7260(2) 0.8810(3) 0.3862(3) 0.243(3) Uani 1 1 d . . . . .
Cl4 Cl 0.26441(19) 0.4422(3) 0.2501(3) 0.214(3) Uani 1 1 d . . . . .
C44 C 0.3590(2) 0.7548(3) 0.3640(2) 0.0390(12) Uani 1 1 d . . . . .
Cl17 Cl 0.80156(16) 0.6199(3) 0.2984(3) 0.212(3) Uani 1 1 d . . . . .
Cl16 Cl 0.7658(2) 0.4888(3) 0.3477(3) 0.208(2) Uani 1 1 d . . . . .
C32 C -0.0664(2) 0.7128(3) 0.4597(2) 0.0383(12) Uani 1 1 d . . . . .
C37 C -0.0595(2) 0.6353(3) 0.4576(2) 0.0424(13) Uani 1 1 d . . . . .
C75 C 0.5943(2) 0.6506(3) 0.3225(2) 0.0392(12) Uani 1 1 d . . . . .
C68 C 0.55832(19) 0.8684(3) 0.4835(2) 0.0376(12) Uani 1 1 d . . . . .
C60 C 0.56472(19) 0.7204(3) 0.3978(2) 0.0313(11) Uani 1 1 d . . . . .
C17 C -0.0668(2) 0.7834(3) 0.3717(2) 0.0363(12) Uani 1 1 d . . . . .
Cl13 Cl 0.74567(18) 0.5898(3) 0.4951(4) 0.266(4) Uani 1 1 d . . . . .
C67 C 0.5373(2) 0.9017(4) 0.5256(2) 0.0431(13) Uani 1 1 d . . . . .
H67 H 0.532345 0.954370 0.525392 0.052 Uiso 1 1 calc R U . . .
C4 C 0.1402(2) 0.7444(4) 0.4251(3) 0.0474(14) Uani 1 1 d . . . . .
C72 C 0.5721(2) 0.9165(3) 0.4376(2) 0.0410(13) Uani 1 1 d . . . . .
H72 H 0.596969 0.888988 0.422047 0.049 Uiso 1 1 calc R U . . .
C20 C -0.0949(2) 0.8562(3) 0.2842(3) 0.0477(15) Uani 1 1 d . . . . .
C45 C 0.3147(2) 0.7161(3) 0.3266(3) 0.0467(14) Uani 1 1 d . . . . .
H45A H 0.291980 0.701725 0.350576 0.056 Uiso 1 1 calc R U . . .
H45B H 0.298622 0.751826 0.297659 0.056 Uiso 1 1 calc R U . . .
C66 C 0.5239(2) 0.8578(4) 0.5672(2) 0.0436(14) Uani 1 1 d . . . . .
H66 H 0.509471 0.880518 0.595037 0.052 Uiso 1 1 calc R U . . .
C62 C 0.6444(2) 0.7122(4) 0.4056(3) 0.0459(14) Uani 1 1 d . . . . .
H62 H 0.674442 0.700313 0.397172 0.055 Uiso 1 1 calc R U . . .
C80 C 0.5944(3) 0.5717(4) 0.3260(3) 0.0563(17) Uani 1 1 d . . . . .
C35 C -0.0226(2) 0.6417(4) 0.5561(3) 0.0565(17) Uani 1 1 d . . . . .
H35 H -0.006993 0.616968 0.589588 0.068 Uiso 1 1 calc R U . . .
C64 C 0.5521(2) 0.7459(3) 0.5281(2) 0.0383(12) Uani 1 1 d . . . . .
C76 C 0.5908(2) 0.6889(3) 0.2719(3) 0.0451(14) Uani 1 1 d . . . . .
C21 C -0.0905(2) 0.8178(4) 0.2356(3) 0.0465(14) Uani 1 1 d . . . . .
C47 C 0.3685(2) 0.6656(3) 0.2639(2) 0.0460(14) Uani 1 1 d . . . . .
C41 C -0.0750(2) 0.5907(4) 0.4035(3) 0.0497(15) Uani 1 1 d . . . . .
H41 H -0.098487 0.622012 0.377110 0.060 Uiso 1 1 calc R U . . .
C65 C 0.5314(2) 0.7820(4) 0.5685(2) 0.0465(14) Uani 1 1 d . . . . .
H65 H 0.522325 0.753154 0.597577 0.056 Uiso 1 1 calc R U . . .
C33 C -0.0531(2) 0.7558(4) 0.5087(2) 0.0484(15) Uani 1 1 d . . . . .
C81 C 0.5907(3) 0.7746(3) 0.2681(3) 0.0507(16) Uani 1 1 d . . . . .
H81 H 0.596900 0.794877 0.307552 0.061 Uiso 1 1 calc R U . . .
C36 C -0.0373(2) 0.6007(4) 0.5074(3) 0.0514(16) Uani 1 1 d . . . . .
H36 H -0.032167 0.548092 0.507920 0.062 Uiso 1 1 calc R U . . .
C34 C -0.0301(3) 0.7179(4) 0.5570(3) 0.0577(18) Uani 1 1 d . . . . .
H34 H -0.019379 0.745075 0.591060 0.069 Uiso 1 1 calc R U . . .
C69 C 0.5609(2) 0.6614(4) 0.5300(3) 0.0496(15) Uani 1 1 d . . . . .
H69 H 0.561984 0.644249 0.490901 0.060 Uiso 1 1 calc R U . . .
C57 C 0.3760(3) 0.5110(4) 0.1995(3) 0.0609(19) Uani 1 1 d . . . . .
H57A H 0.347653 0.492265 0.211660 0.091 Uiso 1 1 calc R U . . .
H57B H 0.397587 0.469159 0.196985 0.091 Uiso 1 1 calc R U . . .
H57C H 0.366793 0.534975 0.162431 0.091 Uiso 1 1 calc R U . . .
C46 C 0.3295(2) 0.6460(4) 0.2975(3) 0.0513(16) Uani 1 1 d . . . . .
H46A H 0.301458 0.625042 0.271439 0.062 Uiso 1 1 calc R U . . .
H46B H 0.341616 0.607456 0.326261 0.062 Uiso 1 1 calc R U . . .
C19 C -0.1384(2) 0.7599(4) 0.3933(3) 0.0483(14) Uani 1 1 d . . . . .
H19 H -0.161638 0.742054 0.413005 0.058 Uiso 1 1 calc R U . . .
C27 C -0.0496(3) 0.6969(4) 0.2202(3) 0.0594(18) Uani 1 1 d . . . . .
H27A H -0.041759 0.717290 0.185498 0.089 Uiso 1 1 calc R U . . .
H27B H -0.053856 0.642526 0.216386 0.089 Uiso 1 1 calc R U . . .
H27C H -0.023807 0.708015 0.252284 0.089 Uiso 1 1 calc R U . . .
C38 C -0.0630(3) 0.8390(4) 0.5095(3) 0.0585(18) Uani 1 1 d D U . . .
H38 H -0.087053 0.850323 0.474437 0.070 Uiso 0.64(5) 1 calc R U P A 1
H38A H -0.074134 0.858698 0.470315 0.070 Uiso 0.36(5) 1 calc R U P A 2
C3 C 0.1816(3) 0.7759(4) 0.3981(3) 0.0610(19) Uani 1 1 d . . . . .
H3A H 0.207268 0.793899 0.428922 0.073 Uiso 1 1 calc R U . . .
H3B H 0.194657 0.734232 0.378854 0.073 Uiso 1 1 calc R U . . .
C26 C -0.0953(2) 0.7325(4) 0.2299(3) 0.0457(14) Uani 1 1 d . . . . .
H26 H -0.101795 0.712349 0.266221 0.055 Uiso 1 1 calc R U . . .
C73 C 0.5294(2) 0.9294(4) 0.3889(3) 0.0529(16) Uani 1 1 d . . . . .
H73A H 0.517992 0.881076 0.372180 0.079 Uiso 1 1 calc R U . . .
H73B H 0.539003 0.961143 0.360101 0.079 Uiso 1 1 calc R U . . .
H73C H 0.503887 0.954163 0.403517 0.079 Uiso 1 1 calc R U . . .
C77 C 0.5873(3) 0.6467(4) 0.2228(3) 0.0579(18) Uani 1 1 d . . . . .
H77 H 0.585256 0.671358 0.187541 0.069 Uiso 1 1 calc R U . . .
C18 C -0.1464(2) 0.7990(4) 0.3451(3) 0.0493(15) Uani 1 1 d . . . . .
H18 H -0.176463 0.814284 0.323981 0.059 Uiso 1 1 calc R U . . .
C53 C 0.3118(3) 0.8764(5) 0.4303(3) 0.065(2) Uani 1 1 d . . . . .
H53A H 0.281140 0.850850 0.419522 0.098 Uiso 1 1 calc R U . . .
H53B H 0.306524 0.930452 0.433212 0.098 Uiso 1 1 calc R U . . .
H53C H 0.328661 0.857337 0.466940 0.098 Uiso 1 1 calc R U . . .
C49 C 0.3185(3) 0.6887(5) 0.4654(4) 0.071(2) Uani 1 1 d . . . . .
H49A H 0.297458 0.732408 0.458382 0.106 Uiso 1 1 calc R U . . .
H49B H 0.327336 0.679572 0.506209 0.106 Uiso 1 1 calc R U . . .
H49C H 0.301963 0.644653 0.446748 0.106 Uiso 1 1 calc R U . . .
C79 C 0.5905(3) 0.5335(4) 0.2758(4) 0.070(2) Uani 1 1 d . . . . .
H79 H 0.590428 0.480237 0.276532 0.084 Uiso 1 1 calc R U . . .
C2 C 0.1679(3) 0.8378(4) 0.3570(3) 0.065(2) Uani 1 1 d . . . . .
H2A H 0.194074 0.846873 0.336759 0.077 Uiso 1 1 calc R U . . .
H2B H 0.163368 0.884194 0.377815 0.077 Uiso 1 1 calc R U . . .
C50 C 0.4168(3) 0.7621(5) 0.4888(3) 0.0608(18) Uani 1 1 d . . . . .
H50A H 0.443240 0.778509 0.471720 0.091 Uiso 1 1 calc R U . . .
H50B H 0.429001 0.730697 0.521847 0.091 Uiso 1 1 calc R U . . .
H50C H 0.400722 0.805982 0.500526 0.091 Uiso 1 1 calc R U . . .
C82 C 0.5434(3) 0.8035(4) 0.2381(3) 0.0621(19) Uani 1 1 d . . . . .
H82A H 0.535538 0.781899 0.200079 0.093 Uiso 1 1 calc R U . . .
H82B H 0.544564 0.858221 0.235432 0.093 Uiso 1 1 calc R U . . .
H82C H 0.519005 0.789130 0.259273 0.093 Uiso 1 1 calc R U . . .
C51 C 0.4051(2) 0.9119(4) 0.3965(3) 0.0598(18) Uani 1 1 d . . . . .
H51A H 0.422692 0.892805 0.432737 0.090 Uiso 1 1 calc R U . . .
H51B H 0.397983 0.965166 0.400283 0.090 Uiso 1 1 calc R U . . .
H51C H 0.424245 0.905672 0.367572 0.090 Uiso 1 1 calc R U . . .
C74 C 0.5928(3) 0.9923(4) 0.4598(3) 0.065(2) Uani 1 1 d . . . . .
H74A H 0.568315 1.021694 0.472869 0.098 Uiso 1 1 calc R U . . .
H74B H 0.603561 1.019402 0.429377 0.098 Uiso 1 1 calc R U . . .
H74C H 0.619705 0.984252 0.491221 0.098 Uiso 1 1 calc R U . . .
C43 C -0.0994(4) 0.5174(5) 0.4121(4) 0.083(3) Uani 1 1 d . . . . .
H43A H -0.113481 0.495675 0.375251 0.125 Uiso 1 1 calc R U . . .
H43B H -0.124384 0.526684 0.433488 0.125 Uiso 1 1 calc R U . . .
H43C H -0.076051 0.482354 0.433099 0.125 Uiso 1 1 calc R U . . .
C78 C 0.5867(3) 0.5690(5) 0.2248(3) 0.072(2) Uani 1 1 d . . . . .
H78 H 0.583639 0.540574 0.190982 0.087 Uiso 1 1 calc R U . . .
C1 C 0.1220(3) 0.8213(4) 0.3134(3) 0.0513(16) Uani 1 1 d . . . . .
C58 C 0.4240(3) 0.5235(4) 0.3176(3) 0.067(2) Uani 1 1 d . . . . .
H58A H 0.444308 0.553000 0.347223 0.101 Uiso 1 1 calc R U . . .
H58B H 0.441401 0.479011 0.309219 0.101 Uiso 1 1 calc R U . . .
H58C H 0.395349 0.507916 0.330609 0.101 Uiso 1 1 calc R U . . .
C61 C 0.6363(2) 0.7513(4) 0.4515(3) 0.0476(14) Uani 1 1 d . . . . .
H61 H 0.659504 0.770941 0.481571 0.057 Uiso 1 1 calc R U . . .
C25 C -0.0932(3) 0.9332(4) 0.2908(3) 0.068(2) Uani 1 1 d . . . . .
C8 C 0.1675(3) 0.8395(6) 0.2061(4) 0.093(3) Uani 1 1 d . . . . .
H8A H 0.145034 0.878047 0.188379 0.140 Uiso 1 1 calc R U . . .
H8B H 0.179029 0.811275 0.176849 0.140 Uiso 1 1 calc R U . . .
H8C H 0.194342 0.863488 0.231348 0.140 Uiso 1 1 calc R U . . .
Cl9 Cl 0.7201(3) 0.9845(6) 0.4677(3) 0.340(6) Uani 1 1 d . . . . .
C48 C 0.4024(3) 0.6120(4) 0.4385(3) 0.0591(18) Uani 1 1 d . . . . .
H48A H 0.381390 0.577933 0.413051 0.089 Uiso 1 1 calc R U . . .
H48B H 0.407695 0.592288 0.477118 0.089 Uiso 1 1 calc R U . . .
H48C H 0.432838 0.616037 0.426382 0.089 Uiso 1 1 calc R U . . .
C59 C 0.4626(3) 0.6101(5) 0.2309(4) 0.071(2) Uani 1 1 d . . . . .
H59A H 0.456426 0.618298 0.189925 0.107 Uiso 1 1 calc R U . . .
H59B H 0.486505 0.570574 0.240927 0.107 Uiso 1 1 calc R U . . .
H59C H 0.474459 0.656653 0.250326 0.107 Uiso 1 1 calc R U . . .
C52 C 0.3134(3) 0.9064(4) 0.3108(4) 0.066(2) Uani 1 1 d . . . . .
H52A H 0.331173 0.904167 0.280206 0.100 Uiso 1 1 calc R U . . .
H52B H 0.307978 0.958905 0.319633 0.100 Uiso 1 1 calc R U . . .
H52C H 0.282746 0.881058 0.298785 0.100 Uiso 1 1 calc R U . . .
C84 C 0.5993(3) 0.5314(4) 0.3825(4) 0.067(2) Uani 1 1 d D U . . .
H84 H 0.593690 0.568856 0.411267 0.081 Uiso 0.44(3) 1 calc R U P B 1
H84A H 0.614322 0.569263 0.411120 0.081 Uiso 0.56(3) 1 calc R U P B 2
C42 C -0.0332(3) 0.5758(5) 0.3748(4) 0.073(2) Uani 1 1 d . . . . .
H42A H -0.007341 0.552335 0.401828 0.110 Uiso 1 1 calc R U . . .
H42B H -0.022181 0.623344 0.361667 0.110 Uiso 1 1 calc R U . . .
H42C H -0.043347 0.542312 0.342473 0.110 Uiso 1 1 calc R U . . .
C22 C -0.0829(3) 0.8625(5) 0.1906(3) 0.0615(19) Uani 1 1 d . . . . .
H22 H -0.080015 0.839403 0.155965 0.074 Uiso 1 1 calc R U . . .
C55 C 0.3064(3) 0.7950(5) 0.1871(3) 0.076(2) Uani 1 1 d . . . . .
H55A H 0.278571 0.790163 0.204457 0.113 Uiso 1 1 calc R U . . .
H55B H 0.296209 0.809280 0.147312 0.113 Uiso 1 1 calc R U . . .
H55C H 0.327663 0.833619 0.207022 0.113 Uiso 1 1 calc R U . . .
C28 C -0.1375(3) 0.7117(5) 0.1825(4) 0.069(2) Uani 1 1 d . . . . .
H28A H -0.166732 0.733130 0.190923 0.104 Uiso 1 1 calc R U . . .
H28B H -0.140530 0.657015 0.179981 0.104 Uiso 1 1 calc R U . . .
H28C H -0.132277 0.731670 0.146508 0.104 Uiso 1 1 calc R U . . .
C23 C -0.0794(3) 0.9394(5) 0.1956(4) 0.080(3) Uani 1 1 d . . . . .
H23 H -0.073250 0.968516 0.164944 0.096 Uiso 1 1 calc R U . . .
C83 C 0.6311(4) 0.8012(5) 0.2400(5) 0.088(3) Uani 1 1 d . . . . .
H83A H 0.661605 0.785490 0.262967 0.132 Uiso 1 1 calc R U . . .
H83B H 0.630218 0.855960 0.236943 0.132 Uiso 1 1 calc R U . . .
H83C H 0.627126 0.779083 0.202248 0.132 Uiso 1 1 calc R U . . .
C10 C 0.1801(3) 0.6956(6) 0.2655(4) 0.081(3) Uani 1 1 d . . . . .
H10A H 0.209553 0.714741 0.288784 0.121 Uiso 1 1 calc R U . . .
H10B H 0.186717 0.674710 0.230334 0.121 Uiso 1 1 calc R U . . .
H10C H 0.166922 0.656314 0.286183 0.121 Uiso 1 1 calc R U . . .
C24 C -0.0850(4) 0.9747(5) 0.2453(4) 0.090(3) Uani 1 1 d . . . . .
H24 H -0.083198 1.027798 0.247997 0.108 Uiso 1 1 calc R U . . .
C29 C -0.1001(4) 0.9736(5) 0.3438(4) 0.087(3) Uani 1 1 d . . . . .
H29 H -0.105447 0.934183 0.371323 0.105 Uiso 1 1 calc R U . . .
C5 C 0.0457(4) 0.9013(6) 0.2197(5) 0.099(3) Uani 1 1 d . . . . .
H5A H 0.061498 0.878753 0.191411 0.149 Uiso 1 1 calc R U . . .
H5B H 0.032620 0.950246 0.206130 0.149 Uiso 1 1 calc R U . . .
H5C H 0.019903 0.868475 0.225941 0.149 Uiso 1 1 calc R U . . .
C91 C 0.7063(3) 0.8543(6) 0.6428(4) 0.093(3) Uani 1 1 d . . . . .
H91 H 0.700487 0.869237 0.680762 0.111 Uiso 1 1 calc R U . . .
C56 C 0.3789(4) 0.7132(6) 0.1412(4) 0.099(3) Uani 1 1 d . . . . .
H56A H 0.402026 0.752995 0.154144 0.148 Uiso 1 1 calc R U . . .
H56B H 0.360284 0.726106 0.103797 0.148 Uiso 1 1 calc R U . . .
H56C H 0.395573 0.665797 0.138968 0.148 Uiso 1 1 calc R U . . .
C9 C 0.0846(3) 0.7363(6) 0.1955(4) 0.086(3) Uani 1 1 d . . . . .
H9A H 0.057786 0.727379 0.214186 0.128 Uiso 1 1 calc R U . . .
H9B H 0.093507 0.689163 0.179637 0.128 Uiso 1 1 calc R U . . .
H9C H 0.075320 0.773045 0.165157 0.128 Uiso 1 1 calc R U . . .
C14 C 0.1805(3) 0.5879(5) 0.4001(4) 0.089(3) Uani 1 1 d . . . . .
H14A H 0.159882 0.584762 0.362530 0.133 Uiso 1 1 calc R U . . .
H14B H 0.186859 0.537303 0.415600 0.133 Uiso 1 1 calc R U . . .
H14C H 0.210456 0.612105 0.397155 0.133 Uiso 1 1 calc R U . . .
C16 C 0.1942(4) 0.6336(7) 0.5169(4) 0.107(4) Uani 1 1 d . . . . .
H16A H 0.224826 0.655282 0.513605 0.160 Uiso 1 1 calc R U . . .
H16B H 0.198403 0.580445 0.526920 0.160 Uiso 1 1 calc R U . . .
H16C H 0.181803 0.660127 0.546432 0.160 Uiso 1 1 calc R U . . .
C6 C 0.0542(4) 0.9583(5) 0.3330(5) 0.108(4) Uani 1 1 d . . . . .
H6A H 0.032964 0.921253 0.344895 0.162 Uiso 1 1 calc R U . . .
H6B H 0.035276 0.999272 0.312861 0.162 Uiso 1 1 calc R U . . .
H6C H 0.075830 0.978198 0.366313 0.162 Uiso 1 1 calc R U . . .
C70 C 0.5222(3) 0.6175(5) 0.5502(5) 0.091(3) Uani 1 1 d . . . . .
H70A H 0.527161 0.620255 0.591477 0.137 Uiso 1 1 calc R U . . .
H70B H 0.523261 0.564963 0.538572 0.137 Uiso 1 1 calc R U . . .
H70C H 0.491114 0.638858 0.533492 0.137 Uiso 1 1 calc R U . . .
C12 C 0.0916(4) 0.7583(8) 0.5296(4) 0.106(4) Uani 1 1 d . . . . .
H12A H 0.059377 0.755422 0.506811 0.160 Uiso 1 1 calc R U . . .
H12B H 0.091361 0.788025 0.563665 0.160 Uiso 1 1 calc R U . . .
H12C H 0.103180 0.707651 0.540497 0.160 Uiso 1 1 calc R U . . .
C54 C 0.2891(4) 0.6365(6) 0.1609(4) 0.100(3) Uani 1 1 d . . . . .
H54A H 0.298546 0.585218 0.172675 0.150 Uiso 1 1 calc R U . . .
H54B H 0.282889 0.639750 0.119585 0.150 Uiso 1 1 calc R U . . .
H54C H 0.260309 0.649899 0.174502 0.150 Uiso 1 1 calc R U . . .
C15 C 0.0931(3) 0.5945(6) 0.4527(4) 0.096(3) Uani 1 1 d . . . . .
H15A H 0.075995 0.624796 0.475885 0.143 Uiso 1 1 calc R U . . .
H15B H 0.100194 0.545127 0.470205 0.143 Uiso 1 1 calc R U . . .
H15C H 0.073394 0.588294 0.414823 0.143 Uiso 1 1 calc R U . . .
C13 C 0.1904(4) 0.8244(9) 0.5344(5) 0.141(6) Uani 1 1 d . . . . .
H13A H 0.200547 0.781116 0.558888 0.212 Uiso 1 1 calc R U . . .
H13B H 0.187371 0.868336 0.557815 0.212 Uiso 1 1 calc R U . . .
H13C H 0.214064 0.834568 0.511311 0.212 Uiso 1 1 calc R U . . .
C71 C 0.6073(3) 0.6422(5) 0.5674(5) 0.106(4) Uani 1 1 d . . . . .
H71A H 0.632519 0.672466 0.556790 0.158 Uiso 1 1 calc R U . . .
H71B H 0.614079 0.588893 0.563231 0.158 Uiso 1 1 calc R U . . .
H71C H 0.605629 0.652561 0.606825 0.158 Uiso 1 1 calc R U . . .
C87 C 0.2446(3) 0.4676(7) 0.3117(5) 0.103(3) Uani 1 1 d . . . . .
H87 H 0.232482 0.520328 0.308118 0.124 Uiso 1 1 calc R U . . .
C7 C 0.1338(4) 0.9882(6) 0.2767(5) 0.114(4) Uani 1 1 d . . . . .
H7A H 0.159247 0.989673 0.310420 0.171 Uiso 1 1 calc R U . . .
H7B H 0.118071 1.037137 0.271277 0.171 Uiso 1 1 calc R U . . .
H7C H 0.147215 0.976109 0.243569 0.171 Uiso 1 1 calc R U . . .
C39 C -0.0191(6) 0.8850(11) 0.5064(14) 0.090(6) Uani 0.64(5) 1 d D U P A 1
H39A H 0.008276 0.864882 0.533170 0.135 Uiso 0.64(5) 1 calc R U P A 1
H39B H -0.024311 0.937305 0.516097 0.135 Uiso 0.64(5) 1 calc R U P A 1
H39C H -0.012891 0.882633 0.468027 0.135 Uiso 0.64(5) 1 calc R U P A 1
C11 C 0.1049(4) 0.8991(6) 0.4697(4) 0.093(3) Uani 1 1 d . . . . .
H11A H 0.125845 0.928972 0.451074 0.140 Uiso 1 1 calc R U . . .
H11B H 0.100900 0.924240 0.504517 0.140 Uiso 1 1 calc R U . . .
H11C H 0.073834 0.893637 0.444336 0.140 Uiso 1 1 calc R U . . .
C89 C 0.7834(4) 0.6560(7) 0.5313(6) 0.113(4) Uani 1 1 d . . . . .
H89 H 0.778412 0.657438 0.571110 0.135 Uiso 1 1 calc R U . . .
C86 C 0.6465(8) 0.4946(18) 0.4042(16) 0.092(9) Uani 0.44(3) 1 d D U P B 1
H86A H 0.655699 0.465188 0.373867 0.138 Uiso 0.44(3) 1 calc R U P B 1
H86B H 0.643995 0.461411 0.435828 0.138 Uiso 0.44(3) 1 calc R U P B 1
H86C H 0.670545 0.533091 0.417111 0.138 Uiso 0.44(3) 1 calc R U P B 1
C40 C -0.0848(11) 0.8633(19) 0.5595(11) 0.088(8) Uani 0.64(5) 1 d D U P A 1
H40A H -0.113428 0.833565 0.559992 0.132 Uiso 0.64(5) 1 calc R U P A 1
H40B H -0.093261 0.916533 0.555753 0.132 Uiso 0.64(5) 1 calc R U P A 1
H40C H -0.061771 0.855296 0.594873 0.132 Uiso 0.64(5) 1 calc R U P A 1
C31 C -0.1445(5) 1.0230(7) 0.3323(6) 0.137(5) Uani 1 1 d . . . . .
H31A H -0.144369 1.053867 0.298780 0.205 Uiso 1 1 calc R U . . .
H31B H -0.144636 1.055476 0.364952 0.205 Uiso 1 1 calc R U . . .
H31C H -0.172860 0.991175 0.325752 0.205 Uiso 1 1 calc R U . . .
C90 C 0.7536(4) 0.9574(7) 0.4237(5) 0.110(4) Uani 1 1 d . . . . .
H90 H 0.754758 0.999032 0.396312 0.132 Uiso 1 1 calc R U . . .
C88 C 0.7543(5) 0.5499(11) 0.2950(7) 0.178(8) Uani 1 1 d . . . . .
H88 H 0.752435 0.521194 0.259088 0.214 Uiso 1 1 calc R U . . .
C85 C 0.5602(10) 0.4716(18) 0.3767(14) 0.099(9) Uani 0.44(3) 1 d D U P B 1
H85A H 0.529042 0.495490 0.364788 0.149 Uiso 0.44(3) 1 calc R U P B 1
H85B H 0.561688 0.446746 0.413175 0.149 Uiso 0.44(3) 1 calc R U P B 1
H85C H 0.564790 0.434488 0.348393 0.149 Uiso 0.44(3) 1 calc R U P B 1
C30 C -0.0576(5) 1.0159(9) 0.3709(7) 0.163(7) Uani 1 1 d . . . . .
H30A H -0.032833 0.980857 0.388820 0.244 Uiso 1 1 calc R U . . .
H30B H -0.065729 1.049520 0.399574 0.244 Uiso 1 1 calc R U . . .
H30C H -0.045950 1.045406 0.342284 0.244 Uiso 1 1 calc R U . . .
C39A C -0.0187(11) 0.881(2) 0.540(2) 0.091(10) Uani 0.36(5) 1 d D U P A 2
H39D H -0.008131 0.860007 0.577894 0.137 Uiso 0.36(5) 1 calc R U P A 2
H39E H -0.026201 0.934187 0.542831 0.137 Uiso 0.36(5) 1 calc R U P A 2
H39F H 0.006685 0.875435 0.518513 0.137 Uiso 0.36(5) 1 calc R U P A 2
C40A C -0.1005(15) 0.852(3) 0.5457(18) 0.075(10) Uani 0.36(5) 1 d D U P A 2
H40D H -0.129295 0.823779 0.529844 0.112 Uiso 0.36(5) 1 calc R U P A 2
H40E H -0.108038 0.905634 0.545939 0.112 Uiso 0.36(5) 1 calc R U P A 2
H40F H -0.087984 0.835194 0.584461 0.112 Uiso 0.36(5) 1 calc R U P A 2
C85A C 0.5526(6) 0.5143(14) 0.3978(9) 0.078(6) Uani 0.56(3) 1 d D U P B 2
H85D H 0.535631 0.561190 0.401240 0.118 Uiso 0.56(3) 1 calc R U P B 2
H85E H 0.557964 0.487511 0.433995 0.118 Uiso 0.56(3) 1 calc R U P B 2
H85F H 0.533604 0.482977 0.368394 0.118 Uiso 0.56(3) 1 calc R U P B 2
C86A C 0.6353(8) 0.4687(12) 0.3874(12) 0.081(6) Uani 0.56(3) 1 d D U P B 2
H86D H 0.619913 0.423348 0.369540 0.122 Uiso 0.56(3) 1 calc R U P B 2
H86E H 0.648392 0.458612 0.427444 0.122 Uiso 0.56(3) 1 calc R U P B 2
H86F H 0.661082 0.483430 0.368567 0.122 Uiso 0.56(3) 1 calc R U P B 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
Au2 Ge2 2.4161(7) . ?
Au2 C60 2.069(5) . ?
Au1 Ge1 2.4055(8) . ?
Au1 C17 2.058(6) . ?
Ge2 Cl2 2.2704(16) . ?
Ge2 C44 2.018(6) . ?
Ge2 C47 2.030(6) . ?
Ge1 Cl1 2.2703(16) . ?
Ge1 C4 2.015(6) . ?
Ge1 C1 2.017(6) . ?
Si5 C44 1.914(6) . ?
Si5 C49 1.899(7) . ?
Si5 C50 1.858(8) . ?
Si5 C48 1.879(7) . ?
Si6 C44 1.906(6) . ?
Si6 C53 1.879(7) . ?
Si6 C51 1.868(7) . ?
Si6 C52 1.882(8) . ?
Si7 C47 1.916(7) . ?
Si7 C57 1.886(7) . ?
Si7 C58 1.865(8) . ?
Si7 C59 1.850(8) . ?
Si3 C1 1.905(7) . ?
Si3 C8 1.899(9) . ?
Si3 C10 1.858(10) . ?
Si3 C9 1.879(9) . ?
Si8 C47 1.904(6) . ?
Si8 C55 1.869(8) . ?
Si8 C56 1.853(10) . ?
Si8 C54 1.890(10) . ?
Si1 C4 1.889(7) . ?
Si1 C14 1.839(10) . ?
Si1 C16 1.894(9) . ?
Si1 C15 1.900(9) . ?
Si2 C4 1.895(7) . ?
Si2 C12 1.872(11) . ?
Si2 C13 1.871(10) . ?
Si2 C11 1.880(11) . ?
Si4 C1 1.950(8) . ?
Si4 C5 1.829(10) . ?
Si4 C6 1.833(11) . ?
Si4 C7 1.905(9) . ?
Cl14 C89 1.749(10) . ?
Cl7 C91 1.717(9) . ?
Cl5 C87 1.738(10) . ?
Cl6 C91 1.741(11) . ?
Cl12 C89 1.759(12) . ?
Cl11 C90 1.667(12) . ?
Cl8 C91 1.714(12) . ?
Cl15 C88 1.636(13) . ?
Cl3 C87 1.713(12) . ?
N1 C32 1.443(7) . ?
N1 C17 1.351(7) . ?
N1 C19 1.382(8) . ?
N3 C63 1.433(7) . ?
N3 C60 1.358(7) . ?
N3 C61 1.389(7) . ?
N4 C75 1.438(7) . ?
N4 C60 1.357(7) . ?
N4 C62 1.387(8) . ?
N2 C17 1.362(7) . ?
N2 C20 1.443(8) . ?
N2 C18 1.382(8) . ?
C63 C68 1.393(8) . ?
C63 C64 1.394(8) . ?
Cl10 C90 1.738(15) . ?
Cl4 C87 1.757(12) . ?
C44 C45 1.564(8) . ?
Cl17 C88 1.83(2) . ?
Cl16 C88 1.656(14) . ?
C32 C37 1.398(8) . ?
C32 C33 1.400(8) . ?
C37 C41 1.519(8) . ?
C37 C36 1.388(8) . ?
C75 C80 1.410(9) . ?
C75 C76 1.385(8) . ?
C68 C67 1.413(8) . ?
C68 C72 1.518(8) . ?
Cl13 C89 1.719(14) . ?
C67 H67 0.9500 . ?
C67 C66 1.389(8) . ?
C4 C3 1.571(9) . ?
C72 H72 1.0000 . ?
C72 C73 1.536(9) . ?
C72 C74 1.529(9) . ?
C20 C21 1.386(9) . ?
C20 C25 1.383(9) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.536(9) . ?
C66 H66 0.9500 . ?
C66 C65 1.368(9) . ?
C62 H62 0.9500 . ?
C62 C61 1.368(9) . ?
C80 C79 1.376(10) . ?
C80 C84 1.522(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.377(10) . ?
C35 C34 1.378(10) . ?
C64 C65 1.397(8) . ?
C64 C69 1.529(9) . ?
C76 C81 1.533(9) . ?
C76 C77 1.392(9) . ?
C21 C26 1.533(9) . ?
C21 C22 1.402(9) . ?
C47 C46 1.552(10) . ?
C41 H41 1.0000 . ?
C41 C43 1.517(10) . ?
C41 C42 1.526(10) . ?
C65 H65 0.9500 . ?
C33 C34 1.395(9) . ?
C33 C38 1.511(10) . ?
C81 H81 1.0000 . ?
C81 C82 1.499(10) . ?
C81 C83 1.531(10) . ?
C36 H36 0.9500 . ?
C34 H34 0.9500 . ?
C69 H69 1.0000 . ?
C69 C70 1.520(11) . ?
C69 C71 1.491(11) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C19 H19 0.9500 . ?
C19 C18 1.335(9) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 C26 1.518(9) . ?
C38 H38 1.0000 . ?
C38 H38A 1.0000 . ?
C38 C39 1.521(15) . ?
C38 C40 1.532(15) . ?
C38 C39A 1.532(19) . ?
C38 C40A 1.536(18) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C2 1.486(11) . ?
C26 H26 1.0000 . ?
C26 C28 1.537(9) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C77 H77 0.9500 . ?
C77 C78 1.387(11) . ?
C18 H18 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C79 H79 0.9500 . ?
C79 C78 1.370(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.539(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C78 H78 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C61 H61 0.9500 . ?
C25 C24 1.384(11) . ?
C25 C29 1.518(12) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Cl9 C90 1.645(12) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C84 H84 1.0000 . ?
C84 H84A 1.0000 . ?
C84 C86 1.504(18) . ?
C84 C85 1.536(18) . ?
C84 C85A 1.494(15) . ?
C84 C86A 1.514(15) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C22 H22 0.9500 . ?
C22 C23 1.379(12) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C23 H23 0.9500 . ?
C23 C24 1.394(13) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C24 H24 0.9500 . ?
C29 H29 1.0000 . ?
C29 C31 1.530(15) . ?
C29 C30 1.472(15) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C91 H91 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C87 H87 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C89 H89 1.0000 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C90 H90 1.0000 . ?
C88 H88 1.0000 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C39A H39D 0.9800 . ?
C39A H39E 0.9800 . ?
C39A H39F 0.9800 . ?
C40A H40D 0.9800 . ?
C40A H40E 0.9800 . ?
C40A H40F 0.9800 . ?
C85A H85D 0.9800 . ?
C85A H85E 0.9800 . ?
C85A H85F 0.9800 . ?
C86A H86D 0.9800 . ?
C86A H86E 0.9800 . ?
C86A H86F 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
C60 Au2 Ge2 171.85(14) . . ?
C17 Au1 Ge1 172.32(14) . . ?
Cl2 Ge2 Au2 98.29(5) . . ?
C44 Ge2 Au2 122.39(16) . . ?
C44 Ge2 Cl2 109.12(18) . . ?
C44 Ge2 C47 93.7(3) . . ?
C47 Ge2 Au2 128.23(18) . . ?
C47 Ge2 Cl2 103.40(18) . . ?
Cl1 Ge1 Au1 98.01(5) . . ?
C4 Ge1 Au1 124.48(19) . . ?
C4 Ge1 Cl1 105.4(2) . . ?
C4 Ge1 C1 95.2(3) . . ?
C1 Ge1 Au1 127.0(2) . . ?
C1 Ge1 Cl1 103.9(2) . . ?
C49 Si5 C44 111.3(3) . . ?
C50 Si5 C44 112.7(3) . . ?
C50 Si5 C49 109.2(4) . . ?
C50 Si5 C48 103.5(4) . . ?
C48 Si5 C44 116.4(3) . . ?
C48 Si5 C49 103.1(4) . . ?
C53 Si6 C44 113.3(3) . . ?
C53 Si6 C52 103.2(4) . . ?
C51 Si6 C44 112.2(3) . . ?
C51 Si6 C53 107.6(3) . . ?
C51 Si6 C52 106.7(4) . . ?
C52 Si6 C44 113.3(3) . . ?
C57 Si7 C47 114.3(3) . . ?
C58 Si7 C47 112.0(3) . . ?
C58 Si7 C57 102.0(4) . . ?
C59 Si7 C47 112.5(3) . . ?
C59 Si7 C57 108.0(4) . . ?
C59 Si7 C58 107.2(4) . . ?
C8 Si3 C1 111.6(4) . . ?
C10 Si3 C1 113.8(4) . . ?
C10 Si3 C8 102.4(4) . . ?
C10 Si3 C9 107.2(5) . . ?
C9 Si3 C1 116.4(4) . . ?
C9 Si3 C8 104.2(4) . . ?
C55 Si8 C47 119.5(3) . . ?
C55 Si8 C54 101.8(5) . . ?
C56 Si8 C47 114.1(4) . . ?
C56 Si8 C55 104.1(5) . . ?
C56 Si8 C54 108.7(5) . . ?
C54 Si8 C47 107.6(4) . . ?
C4 Si1 C16 112.1(4) . . ?
C4 Si1 C15 111.4(4) . . ?
C14 Si1 C4 114.0(4) . . ?
C14 Si1 C16 101.3(5) . . ?
C14 Si1 C15 108.6(5) . . ?
C16 Si1 C15 108.8(5) . . ?
C12 Si2 C4 112.5(5) . . ?
C12 Si2 C11 104.2(5) . . ?
C13 Si2 C4 110.4(5) . . ?
C13 Si2 C12 109.4(6) . . ?
C13 Si2 C11 103.8(6) . . ?
C11 Si2 C4 116.0(4) . . ?
C5 Si4 C1 113.4(4) . . ?
C5 Si4 C6 103.9(6) . . ?
C5 Si4 C7 109.5(5) . . ?
C6 Si4 C1 116.6(4) . . ?
C6 Si4 C7 103.5(5) . . ?
C7 Si4 C1 109.2(4) . . ?
C17 N1 C32 124.2(5) . . ?
C17 N1 C19 111.7(5) . . ?
C19 N1 C32 124.1(5) . . ?
C60 N3 C63 125.4(5) . . ?
C60 N3 C61 111.3(5) . . ?
C61 N3 C63 123.2(5) . . ?
C60 N4 C75 126.0(5) . . ?
C60 N4 C62 111.2(5) . . ?
C62 N4 C75 122.8(5) . . ?
C17 N2 C20 123.6(5) . . ?
C17 N2 C18 111.4(5) . . ?
C18 N2 C20 125.0(5) . . ?
C68 C63 N3 117.8(5) . . ?
C68 C63 C64 123.8(5) . . ?
C64 C63 N3 118.3(5) . . ?
Si5 C44 Ge2 110.7(3) . . ?
Si6 C44 Ge2 113.7(3) . . ?
Si6 C44 Si5 108.3(3) . . ?
C45 C44 Ge2 102.2(4) . . ?
C45 C44 Si5 109.8(4) . . ?
C45 C44 Si6 112.1(4) . . ?
C37 C32 N1 118.5(5) . . ?
C37 C32 C33 123.8(5) . . ?
C33 C32 N1 117.7(5) . . ?
C32 C37 C41 122.0(5) . . ?
C36 C37 C32 116.9(6) . . ?
C36 C37 C41 121.1(6) . . ?
C80 C75 N4 118.6(5) . . ?
C76 C75 N4 118.4(5) . . ?
C76 C75 C80 123.0(6) . . ?
C63 C68 C67 117.0(5) . . ?
C63 C68 C72 123.0(5) . . ?
C67 C68 C72 120.0(5) . . ?
N3 C60 Au2 127.2(4) . . ?
N4 C60 Au2 127.6(4) . . ?
N4 C60 N3 104.7(5) . . ?
N1 C17 Au1 128.6(4) . . ?
N1 C17 N2 103.5(5) . . ?
N2 C17 Au1 127.5(4) . . ?
C68 C67 H67 119.9 . . ?
C66 C67 C68 120.2(6) . . ?
C66 C67 H67 119.9 . . ?
Si1 C4 Ge1 114.1(3) . . ?
Si1 C4 Si2 110.5(3) . . ?
Si2 C4 Ge1 109.8(3) . . ?
C3 C4 Ge1 99.7(4) . . ?
C3 C4 Si1 111.4(5) . . ?
C3 C4 Si2 110.9(5) . . ?
C68 C72 H72 108.0 . . ?
C68 C72 C73 111.0(5) . . ?
C68 C72 C74 112.5(5) . . ?
C73 C72 H72 108.0 . . ?
C74 C72 H72 108.0 . . ?
C74 C72 C73 109.3(6) . . ?
C21 C20 N2 117.9(5) . . ?
C25 C20 N2 116.6(6) . . ?
C25 C20 C21 125.4(6) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
C46 C45 C44 110.9(5) . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C67 C66 H66 119.7 . . ?
C65 C66 C67 120.6(5) . . ?
C65 C66 H66 119.7 . . ?
N4 C62 H62 126.8 . . ?
C61 C62 N4 106.5(5) . . ?
C61 C62 H62 126.8 . . ?
C75 C80 C84 121.6(6) . . ?
C79 C80 C75 116.2(6) . . ?
C79 C80 C84 122.2(7) . . ?
C36 C35 H35 119.5 . . ?
C36 C35 C34 121.0(6) . . ?
C34 C35 H35 119.5 . . ?
C63 C64 C65 116.6(5) . . ?
C63 C64 C69 121.7(5) . . ?
C65 C64 C69 121.6(5) . . ?
C75 C76 C81 123.0(5) . . ?
C75 C76 C77 117.7(6) . . ?
C77 C76 C81 119.3(6) . . ?
C20 C21 C26 123.0(5) . . ?
C20 C21 C22 115.7(6) . . ?
C22 C21 C26 121.3(6) . . ?
Si7 C47 Ge2 107.0(3) . . ?
Si8 C47 Ge2 119.1(3) . . ?
Si8 C47 Si7 108.3(3) . . ?
C46 C47 Ge2 100.5(4) . . ?
C46 C47 Si7 113.5(4) . . ?
C46 C47 Si8 108.5(4) . . ?
C37 C41 H41 107.4 . . ?
C37 C41 C42 111.1(6) . . ?
C43 C41 C37 113.5(6) . . ?
C43 C41 H41 107.4 . . ?
C43 C41 C42 109.9(6) . . ?
C42 C41 H41 107.4 . . ?
C66 C65 C64 121.8(6) . . ?
C66 C65 H65 119.1 . . ?
C64 C65 H65 119.1 . . ?
C32 C33 C38 121.9(6) . . ?
C34 C33 C32 116.4(6) . . ?
C34 C33 C38 121.6(6) . . ?
C76 C81 H81 107.8 . . ?
C82 C81 C76 111.2(6) . . ?
C82 C81 H81 107.8 . . ?
C82 C81 C83 112.0(7) . . ?
C83 C81 C76 110.1(6) . . ?
C83 C81 H81 107.8 . . ?
C37 C36 H36 119.6 . . ?
C35 C36 C37 120.9(6) . . ?
C35 C36 H36 119.6 . . ?
C35 C34 C33 121.0(7) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C64 C69 H69 108.0 . . ?
C70 C69 C64 113.0(6) . . ?
C70 C69 H69 108.0 . . ?
C71 C69 C64 111.6(6) . . ?
C71 C69 H69 108.0 . . ?
C71 C69 C70 108.1(7) . . ?
Si7 C57 H57A 109.5 . . ?
Si7 C57 H57B 109.5 . . ?
Si7 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C45 C46 C47 110.6(5) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
H46A C46 H46B 108.1 . . ?
N1 C19 H19 126.6 . . ?
C18 C19 N1 106.7(6) . . ?
C18 C19 H19 126.6 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
C33 C38 H38 106.8 . . ?
C33 C38 H38A 111.0 . . ?
C33 C38 C39 111.6(10) . . ?
C33 C38 C40 113.3(15) . . ?
C33 C38 C39A 110.1(16) . . ?
C33 C38 C40A 108(2) . . ?
C39 C38 H38 106.8 . . ?
C39 C38 C40 111.2(14) . . ?
C40 C38 H38 106.7 . . ?
C39A C38 H38A 111.0 . . ?
C39A C38 C40A 105(2) . . ?
C40A C38 H38A 111.0 . . ?
C4 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C2 C3 C4 114.9(6) . . ?
C2 C3 H3A 108.5 . . ?
C2 C3 H3B 108.5 . . ?
C21 C26 H26 107.9 . . ?
C21 C26 C28 110.5(6) . . ?
C27 C26 C21 111.4(6) . . ?
C27 C26 H26 107.9 . . ?
C27 C26 C28 111.2(6) . . ?
C28 C26 H26 107.9 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C76 C77 H77 119.7 . . ?
C78 C77 C76 120.7(7) . . ?
C78 C77 H77 119.7 . . ?
N2 C18 H18 126.6 . . ?
C19 C18 N2 106.7(6) . . ?
C19 C18 H18 126.6 . . ?
Si6 C53 H53A 109.5 . . ?
Si6 C53 H53B 109.5 . . ?
Si6 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
Si5 C49 H49A 109.5 . . ?
Si5 C49 H49B 109.5 . . ?
Si5 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C80 C79 H79 118.6 . . ?
C78 C79 C80 122.8(7) . . ?
C78 C79 H79 118.6 . . ?
C3 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C3 C2 C1 113.0(6) . . ?
H2A C2 H2B 107.8 . . ?
C1 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
Si5 C50 H50A 109.5 . . ?
Si5 C50 H50B 109.5 . . ?
Si5 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Si6 C51 H51A 109.5 . . ?
Si6 C51 H51B 109.5 . . ?
Si6 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C77 C78 H78 120.2 . . ?
C79 C78 C77 119.6(7) . . ?
C79 C78 H78 120.2 . . ?
Si3 C1 Ge1 116.1(3) . . ?
Si3 C1 Si4 105.9(3) . . ?
Si4 C1 Ge1 111.6(3) . . ?
C2 C1 Ge1 101.4(4) . . ?
C2 C1 Si3 110.5(5) . . ?
C2 C1 Si4 111.5(5) . . ?
Si7 C58 H58A 109.5 . . ?
Si7 C58 H58B 109.5 . . ?
Si7 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N3 C61 H61 126.9 . . ?
C62 C61 N3 106.3(5) . . ?
C62 C61 H61 126.9 . . ?
C20 C25 C24 116.7(8) . . ?
C20 C25 C29 124.1(7) . . ?
C24 C25 C29 119.2(7) . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si5 C48 H48A 109.5 . . ?
Si5 C48 H48B 109.5 . . ?
Si5 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Si7 C59 H59A 109.5 . . ?
Si7 C59 H59B 109.5 . . ?
Si7 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Si6 C52 H52A 109.5 . . ?
Si6 C52 H52B 109.5 . . ?
Si6 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C80 C84 H84 108.0 . . ?
C80 C84 H84A 104.5 . . ?
C80 C84 C85 108.2(12) . . ?
C86 C84 C80 115.7(17) . . ?
C86 C84 H84 108.0 . . ?
C86 C84 C85 108.7(16) . . ?
C85 C84 H84 108.0 . . ?
C85A C84 C80 113.2(10) . . ?
C85A C84 H84A 104.5 . . ?
C85A C84 C86A 117.6(13) . . ?
C86A C84 C80 111.0(12) . . ?
C86A C84 H84A 104.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C21 C22 H22 119.4 . . ?
C23 C22 C21 121.1(8) . . ?
C23 C22 H22 119.4 . . ?
Si8 C55 H55A 109.5 . . ?
Si8 C55 H55B 109.5 . . ?
Si8 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.5(7) . . ?
C24 C23 H23 119.8 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C25 C24 C23 120.6(8) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C25 C29 H29 106.9 . . ?
C25 C29 C31 111.4(9) . . ?
C31 C29 H29 106.9 . . ?
C30 C29 C25 112.4(10) . . ?
C30 C29 H29 106.9 . . ?
C30 C29 C31 111.9(10) . . ?
Si4 C5 H5A 109.5 . . ?
Si4 C5 H5B 109.5 . . ?
Si4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Cl7 C91 Cl6 112.0(6) . . ?
Cl7 C91 H91 106.8 . . ?
Cl6 C91 H91 106.8 . . ?
Cl8 C91 Cl7 111.8(7) . . ?
Cl8 C91 Cl6 112.1(6) . . ?
Cl8 C91 H91 106.8 . . ?
Si8 C56 H56A 109.5 . . ?
Si8 C56 H56B 109.5 . . ?
Si8 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C6 H6A 109.5 . . ?
Si4 C6 H6B 109.5 . . ?
Si4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si8 C54 H54A 109.5 . . ?
Si8 C54 H54B 109.5 . . ?
Si8 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
Cl5 C87 Cl4 107.8(7) . . ?
Cl5 C87 H87 109.6 . . ?
Cl3 C87 Cl5 111.3(7) . . ?
Cl3 C87 Cl4 108.9(6) . . ?
Cl3 C87 H87 109.6 . . ?
Cl4 C87 H87 109.6 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Cl14 C89 Cl12 109.9(6) . . ?
Cl14 C89 H89 107.9 . . ?
Cl12 C89 H89 107.9 . . ?
Cl13 C89 Cl14 111.9(8) . . ?
Cl13 C89 Cl12 111.1(7) . . ?
Cl13 C89 H89 107.9 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl11 C90 Cl10 109.6(7) . . ?
Cl11 C90 H90 108.0 . . ?
Cl10 C90 H90 108.0 . . ?
Cl9 C90 Cl11 115.4(8) . . ?
Cl9 C90 Cl10 107.5(9) . . ?
Cl9 C90 H90 108.0 . . ?
Cl15 C88 Cl17 108.5(11) . . ?
Cl15 C88 Cl16 113.7(9) . . ?
Cl15 C88 H88 107.3 . . ?
Cl17 C88 H88 107.3 . . ?
Cl16 C88 Cl17 112.5(10) . . ?
Cl16 C88 H88 107.3 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C38 C39A H39D 109.5 . . ?
C38 C39A H39E 109.5 . . ?
C38 C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C38 C40A H40D 109.5 . . ?
C38 C40A H40E 109.5 . . ?
C38 C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C84 C85A H85D 109.5 . . ?
C84 C85A H85E 109.5 . . ?
C84 C85A H85F 109.5 . . ?
H85D C85A H85E 109.5 . . ?
H85D C85A H85F 109.5 . . ?
H85E C85A H85F 109.5 . . ?
C84 C86A H86D 109.5 . . ?
C84 C86A H86E 109.5 . . ?
C84 C86A H86F 109.5 . . ?
H86D C86A H86E 109.5 . . ?
H86D C86A H86F 109.5 . . ?
H86E C86A H86F 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
Ge2 C44 C45 C46 33.8(6) . . . . ?
Ge2 C47 C46 C45 42.0(6) . . . . ?
Ge1 C4 C3 C2 32.1(7) . . . . ?
Si5 C44 C45 C46 -83.7(6) . . . . ?
Si6 C44 C45 C46 155.9(5) . . . . ?
Si7 C47 C46 C45 155.9(4) . . . . ?
Si8 C47 C46 C45 -83.8(5) . . . . ?
Si1 C4 C3 C2 152.9(6) . . . . ?
Si2 C4 C3 C2 -83.6(7) . . . . ?
N1 C32 C37 C41 1.1(9) . . . . ?
N1 C32 C37 C36 -179.4(5) . . . . ?
N1 C32 C33 C34 -179.3(6) . . . . ?
N1 C32 C33 C38 0.7(9) . . . . ?
N1 C19 C18 N2 0.0(7) . . . . ?
N3 C63 C68 C67 -177.8(5) . . . . ?
N3 C63 C68 C72 3.3(8) . . . . ?
N3 C63 C64 C65 177.9(5) . . . . ?
N3 C63 C64 C69 -1.6(8) . . . . ?
N4 C75 C80 C79 -177.5(6) . . . . ?
N4 C75 C80 C84 1.6(10) . . . . ?
N4 C75 C76 C81 -2.8(9) . . . . ?
N4 C75 C76 C77 177.1(6) . . . . ?
N4 C62 C61 N3 -1.5(7) . . . . ?
N2 C20 C21 C26 2.4(9) . . . . ?
N2 C20 C21 C22 -179.8(6) . . . . ?
N2 C20 C25 C24 178.9(7) . . . . ?
N2 C20 C25 C29 -1.6(12) . . . . ?
C63 N3 C60 Au2 10.7(8) . . . . ?
C63 N3 C60 N4 -176.4(5) . . . . ?
C63 N3 C61 C62 177.3(5) . . . . ?
C63 C68 C67 C66 0.1(8) . . . . ?
C63 C68 C72 C73 94.8(7) . . . . ?
C63 C68 C72 C74 -142.5(6) . . . . ?
C63 C64 C65 C66 -0.2(9) . . . . ?
C63 C64 C69 C70 -144.4(7) . . . . ?
C63 C64 C69 C71 93.6(8) . . . . ?
C44 C45 C46 C47 -54.1(7) . . . . ?
C32 N1 C17 Au1 8.1(8) . . . . ?
C32 N1 C17 N2 -178.5(5) . . . . ?
C32 N1 C19 C18 178.3(5) . . . . ?
C32 C37 C41 C43 -136.3(7) . . . . ?
C32 C37 C41 C42 99.3(7) . . . . ?
C32 C37 C36 C35 -0.6(10) . . . . ?
C32 C33 C34 C35 -2.1(11) . . . . ?
C32 C33 C38 C39 -100.9(15) . . . . ?
C32 C33 C38 C40 132.7(15) . . . . ?
C32 C33 C38 C39A -134(3) . . . . ?
C32 C33 C38 C40A 112(2) . . . . ?
C37 C32 C33 C34 2.5(10) . . . . ?
C37 C32 C33 C38 -177.6(6) . . . . ?
C75 N4 C60 Au2 -7.2(8) . . . . ?
C75 N4 C60 N3 179.9(5) . . . . ?
C75 N4 C62 C61 -179.0(5) . . . . ?
C75 C80 C79 C78 0.0(13) . . . . ?
C75 C80 C84 C86 -106.8(16) . . . . ?
C75 C80 C84 C85 131.1(18) . . . . ?
C75 C80 C84 C85A 91.6(14) . . . . ?
C75 C80 C84 C86A -133.6(14) . . . . ?
C75 C76 C81 C82 -112.2(7) . . . . ?
C75 C76 C81 C83 123.1(8) . . . . ?
C75 C76 C77 C78 0.8(11) . . . . ?
C68 C63 C64 C65 1.2(8) . . . . ?
C68 C63 C64 C69 -178.3(5) . . . . ?
C68 C67 C66 C65 0.8(9) . . . . ?
C60 N3 C63 C68 -99.9(6) . . . . ?
C60 N3 C63 C64 83.2(7) . . . . ?
C60 N3 C61 C62 1.5(7) . . . . ?
C60 N4 C75 C80 -93.4(7) . . . . ?
C60 N4 C75 C76 89.4(7) . . . . ?
C60 N4 C62 C61 1.2(7) . . . . ?
C17 N1 C32 C37 -93.5(7) . . . . ?
C17 N1 C32 C33 88.2(7) . . . . ?
C17 N1 C19 C18 0.4(7) . . . . ?
C17 N2 C20 C21 86.9(7) . . . . ?
C17 N2 C20 C25 -93.9(8) . . . . ?
C17 N2 C18 C19 -0.5(7) . . . . ?
C67 C68 C72 C73 -84.1(7) . . . . ?
C67 C68 C72 C74 38.7(8) . . . . ?
C67 C66 C65 C64 -0.7(10) . . . . ?
C4 C3 C2 C1 -47.3(9) . . . . ?
C72 C68 C67 C66 179.0(5) . . . . ?
C20 N2 C17 Au1 -8.8(8) . . . . ?
C20 N2 C17 N1 177.7(5) . . . . ?
C20 N2 C18 C19 -177.5(6) . . . . ?
C20 C21 C26 C27 -118.2(7) . . . . ?
C20 C21 C26 C28 117.7(7) . . . . ?
C20 C21 C22 C23 0.9(11) . . . . ?
C20 C25 C24 C23 0.7(14) . . . . ?
C20 C25 C29 C31 -115.9(10) . . . . ?
C20 C25 C29 C30 117.5(12) . . . . ?
C62 N4 C75 C80 86.8(8) . . . . ?
C62 N4 C75 C76 -90.4(7) . . . . ?
C62 N4 C60 Au2 172.6(4) . . . . ?
C62 N4 C60 N3 -0.3(6) . . . . ?
C80 C75 C76 C81 -179.9(6) . . . . ?
C80 C75 C76 C77 0.0(10) . . . . ?
C80 C79 C78 C77 0.8(14) . . . . ?
C64 C63 C68 C67 -1.1(8) . . . . ?
C64 C63 C68 C72 -180.0(5) . . . . ?
C76 C75 C80 C79 -0.4(11) . . . . ?
C76 C75 C80 C84 178.7(7) . . . . ?
C76 C77 C78 C79 -1.2(13) . . . . ?
C21 C20 C25 C24 -1.9(13) . . . . ?
C21 C20 C25 C29 177.6(8) . . . . ?
C21 C22 C23 C24 -2.1(14) . . . . ?
C41 C37 C36 C35 178.9(6) . . . . ?
C65 C64 C69 C70 36.2(9) . . . . ?
C65 C64 C69 C71 -85.9(9) . . . . ?
C33 C32 C37 C41 179.3(6) . . . . ?
C33 C32 C37 C36 -1.1(10) . . . . ?
C81 C76 C77 C78 -179.3(7) . . . . ?
C36 C37 C41 C43 44.1(9) . . . . ?
C36 C37 C41 C42 -80.2(8) . . . . ?
C36 C35 C34 C33 0.4(11) . . . . ?
C34 C35 C36 C37 1.0(11) . . . . ?
C34 C33 C38 C39 79.1(16) . . . . ?
C34 C33 C38 C40 -47.4(17) . . . . ?
C34 C33 C38 C39A 46(3) . . . . ?
C34 C33 C38 C40A -68(2) . . . . ?
C69 C64 C65 C66 179.3(6) . . . . ?
C19 N1 C32 C37 88.9(7) . . . . ?
C19 N1 C32 C33 -89.4(7) . . . . ?
C19 N1 C17 Au1 -174.1(4) . . . . ?
C19 N1 C17 N2 -0.7(6) . . . . ?
C38 C33 C34 C35 178.0(7) . . . . ?
C3 C2 C1 Ge1 33.2(8) . . . . ?
C3 C2 C1 Si3 -90.5(7) . . . . ?
C3 C2 C1 Si4 152.1(6) . . . . ?
C26 C21 C22 C23 178.8(7) . . . . ?
C77 C76 C81 C82 67.8(8) . . . . ?
C77 C76 C81 C83 -56.9(9) . . . . ?
C18 N2 C17 Au1 174.2(4) . . . . ?
C18 N2 C17 N1 0.7(6) . . . . ?
C18 N2 C20 C21 -96.4(8) . . . . ?
C18 N2 C20 C25 82.8(8) . . . . ?
C79 C80 C84 C86 72.3(18) . . . . ?
C79 C80 C84 C85 -50(2) . . . . ?
C79 C80 C84 C85A -89.3(14) . . . . ?
C79 C80 C84 C86A 45.5(17) . . . . ?
C61 N3 C63 C68 84.9(7) . . . . ?
C61 N3 C63 C64 -92.0(7) . . . . ?
C61 N3 C60 Au2 -173.7(4) . . . . ?
C61 N3 C60 N4 -0.7(6) . . . . ?
C25 C20 C21 C26 -176.7(7) . . . . ?
C25 C20 C21 C22 1.1(11) . . . . ?
C84 C80 C79 C78 -179.1(8) . . . . ?
C22 C21 C26 C27 64.1(8) . . . . ?
C22 C21 C26 C28 -60.0(8) . . . . ?
C22 C23 C24 C25 1.2(15) . . . . ?
C24 C25 C29 C31 63.5(13) . . . . ?
C24 C25 C29 C30 -63.0(13) . . . . ?
C29 C25 C24 C23 -178.8(9) . . . . ?
C14 Si1 C4 Ge1 77.2(5) . . . . ?
C14 Si1 C4 Si2 -158.6(4) . . . . ?
C14 Si1 C4 C3 -34.8(6) . . . . ?
C16 Si1 C4 Ge1 -168.4(5) . . . . ?
C16 Si1 C4 Si2 -44.2(5) . . . . ?
C16 Si1 C4 C3 79.6(6) . . . . ?
C12 Si2 C4 Ge1 82.3(5) . . . . ?
C12 Si2 C4 Si1 -44.3(5) . . . . ?
C12 Si2 C4 C3 -168.4(5) . . . . ?
C15 Si1 C4 Ge1 -46.1(5) . . . . ?
C15 Si1 C4 Si2 78.1(5) . . . . ?
C15 Si1 C4 C3 -158.1(6) . . . . ?
C13 Si2 C4 Ge1 -155.2(6) . . . . ?
C13 Si2 C4 Si1 78.2(7) . . . . ?
C13 Si2 C4 C3 -45.9(8) . . . . ?
C11 Si2 C4 Ge1 -37.5(5) . . . . ?
C11 Si2 C4 Si1 -164.1(4) . . . . ?
C11 Si2 C4 C3 71.8(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_231031_zr_1
_database_code_depnum_ccdc_archive 'CCDC 2401593'
loop_
_audit_author_name
_audit_author_address
'Liliang Wang'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2024-11-10 deposited with the CCDC.	2025-04-23 downloaded from the CCDC.
;
_audit_creation_date             2023-11-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H80 Au Ge2 Si8, Al C16 F36 O4'
_chemical_formula_sum            'C48 H80 Al Au F36 Ge2 O4 Si8'
_chemical_formula_weight         1998.96
_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 0.0137 0.0067 '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'
Al Al 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   20.9302(13)
_cell_length_b                   33.697(2)
_cell_length_c                   22.7129(13)
_cell_angle_alpha                90
_cell_angle_beta                 94.980(2)
_cell_angle_gamma                90
_cell_volume                     15958.6(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9315
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      60.279
_cell_measurement_theta_min      2.845
_shelx_estimated_absorpt_T_max   0.842
_shelx_estimated_absorpt_T_min   0.717
_exptl_absorpt_coefficient_mu    4.459
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.6434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0841 before and 0.0678 after correction.
The Ratio of minimum to maximum transmission is 0.8557.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7936
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            280324
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.843
_diffrn_reflns_theta_min         2.168
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24957869999999996
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                29563
_reflns_number_total             36620
_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 V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.151
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2230
_refine_ls_number_reflns         36620
_refine_ls_number_restraints     1643
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0578P)²+33.4236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1245
_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
 C93-O8 = C93-C94 = C93-C95 = C93-C96 = C85-O6 = C85-C86 = C85-C87 = C85-C88 =
 C81-O5 = C81-C82 = C81-C83 = C81-C84 = C89-O7 = C89-C90 = C89-C91 = C89-C92
 1.53 with sigma of 0.02
 F54-C88 \\sim F54A-C88A
 with sigma of 0.02
 O6-C87 \\sim O6A-C87A
 with sigma of 0.04
 C95-C96 \\sim C95A-C96A
 with sigma of 0.04
 F70-C95 \\sim F70A-C95A
 with sigma of 0.02
 F53-C88 \\sim F53A-C88A
 with sigma of 0.02
 C93-C94 \\sim C93A-C94A
 with sigma of 0.02
 F47-F46 \\sim F47A-F46A
 with sigma of 0.04
 C93-C95 \\sim C93A-C95A
 with sigma of 0.02
 C85-F52 \\sim C85A-F52A
 with sigma of 0.04
 C93-C96 \\sim C93A-C96A
 with sigma of 0.02
 F65-F72 \\sim F65A-F72A
 with sigma of 0.04
 C85-C87 \\sim C85A-C87A
 with sigma of 0.02
 C94-F65 \\sim C94A-F65A
 with sigma of 0.02
 F52-C88 \\sim F52A-C88A
 with sigma of 0.02
 F53-C85 \\sim F53A-C85A
 with sigma of 0.04
 C85-F54 \\sim C85A-F54A
 with sigma of 0.04
 F51-F49 \\sim F51A-F49A
 with sigma of 0.04
 F71-C95 \\sim F71A-C95A
 with sigma of 0.02
 C87-C88 \\sim C87A-C88A
 with sigma of 0.04
 F71-C96 \\sim F71A-C96A
 with sigma of 0.04
 F68-C96 \\sim F68A-C96A
 with sigma of 0.02
 F67-C96 \\sim F67A-C96A
 with sigma of 0.02
 F47-C87 \\sim F47A-C87A
 with sigma of 0.02
 F49-C86 \\sim F49A-C86A
 with sigma of 0.02
 F47-C85 \\sim F47A-C85A
 with sigma of 0.04
 F50-F51 \\sim F50A-F51A
 with sigma of 0.04
 F53-F52 \\sim F53A-F52A
 with sigma of 0.04
 C85-F49 \\sim C85A-F49A
 with sigma of 0.04
 Al2-O8 \\sim Al2-O8A
 with sigma of 0.04
 F48-F46 \\sim F48A-F46A
 with sigma of 0.04
 Al2-C93 \\sim Al2-C93A
 with sigma of 0.04
 C86-C88 \\sim C86A-C88A
 with sigma of 0.04
 F64-C93 \\sim F64A-C93A
 with sigma of 0.04
 F65-C95 \\sim F65A-C95A
 with sigma of 0.04
 F64-C94 \\sim F64A-C94A
 with sigma of 0.04
 F64-F65 \\sim F64A-F65A
 with sigma of 0.04
 F71-F72 \\sim F71A-F72A
 with sigma of 0.04
 O8-C93 \\sim O8A-C93A
 with sigma of 0.04
 O8-C94 \\sim O8A-C94A
 with sigma of 0.04
 F68-F67 \\sim F68A-F67A
 with sigma of 0.04
 O8-C95 \\sim O8A-C95A
 with sigma of 0.04
 O8-C96 \\sim O8A-C96A
 with sigma of 0.04
 C95-F72 \\sim C95A-F72A
 with sigma of 0.04
 F70-C93 \\sim F70A-C93A
 with sigma of 0.04
 F70-F71 \\sim F70A-F71A
 with sigma of 0.04
 F70-F72 \\sim F70A-F72A
 with sigma of 0.04
 C93-F66 \\sim C93A-F66A
 with sigma of 0.04
 C93-F69 \\sim C93A-F69A
 with sigma of 0.04
 C93-F65 \\sim C93A-F65A
 with sigma of 0.04
 C93-F71 \\sim C93A-F71A
 with sigma of 0.04
 C93-F68 \\sim C93A-F68A
 with sigma of 0.04
 C93-F67 \\sim C93A-F67A
 with sigma of 0.04
 C93-F72 \\sim C93A-F72A
 with sigma of 0.04
 Al2-O6 \\sim Al2-O6A
 with sigma of 0.02
 F50-C86 \\sim F50A-C86A
 with sigma of 0.02
 O6-C85 \\sim O6A-C85A
 with sigma of 0.02
 C85-C86 \\sim C85A-C86A
 with sigma of 0.02
 C85-C88 \\sim C85A-C88A
 with sigma of 0.02
 F48-C87 \\sim F48A-C87A
 with sigma of 0.02
 F51-C86 \\sim F51A-C86A
 with sigma of 0.02
 F46-C87 \\sim F46A-C87A
 with sigma of 0.02
 Al2-C85 \\sim Al2-C85A
 with sigma of 0.04
 F66-C94 \\sim F66A-C94A
 with sigma of 0.04
 F47-F48 \\sim F47A-F48A
 with sigma of 0.04
 F66-F65 \\sim F66A-F65A
 with sigma of 0.04
 F50-C85 \\sim F50A-C85A
 with sigma of 0.04
 F50-F49 \\sim F50A-F49A
 with sigma of 0.04
 F53-F54 \\sim F53A-F54A
 with sigma of 0.04
 F69-F71 \\sim F69A-F71A
 with sigma of 0.04
 O6-C86 \\sim O6A-C86A
 with sigma of 0.04
 F69-F68 \\sim F69A-F68A
 with sigma of 0.04
 O6-C88 \\sim O6A-C88A
 with sigma of 0.04
 F69-F67 \\sim F69A-F67A
 with sigma of 0.04
 C85-F48 \\sim C85A-F48A
 with sigma of 0.04
 F69-C96 \\sim F69A-C96A
 with sigma of 0.04
 C85-F51 \\sim C85A-F51A
 with sigma of 0.04
 C85-F46 \\sim C85A-F46A
 with sigma of 0.04
 F54-F52 \\sim F54A-F52A
 with sigma of 0.04
 C94-C95 \\sim C94A-C95A
 with sigma of 0.04
 C86-C87 \\sim C86A-C87A
 with sigma of 0.04
 C94-C96 \\sim C94A-C96A
 with sigma of 0.04
 F64-F66 \\sim F64A-F66A
 with sigma of 0.04
 F60-F58 \\sim F60A-F58A
 with sigma of 0.04
 F63-C90 \\sim F63A-C90A
 with sigma of 0.02
 F58-C89 \\sim F58A-C89A
 with sigma of 0.04
 F57-F56 \\sim F57A-F56A
 with sigma of 0.04
 F56-C89 \\sim F56A-C89A
 with sigma of 0.04
 O7-C92 \\sim O7A-C92A
 with sigma of 0.04
 F60-C89 \\sim F60A-C89A
 with sigma of 0.04
 C90-C91 \\sim C90A-C91A
 with sigma of 0.04
 F61-C89 \\sim F61A-C89A
 with sigma of 0.04
 F57-F55 \\sim F57A-F55A
 with sigma of 0.04
 F60-C91 \\sim F60A-C91A
 with sigma of 0.02
 F58-C91 \\sim F58A-C91A
 with sigma of 0.02
 F59-C91 \\sim F59A-C91A
 with sigma of 0.02
 F61-C90 \\sim F61A-C90A
 with sigma of 0.02
 Al2-O7 \\sim Al2-O7A
 with sigma of 0.02
 F62-C90 \\sim F62A-C90A
 with sigma of 0.02
 F60-F59 \\sim F60A-F59A
 with sigma of 0.04
 F56-C92 \\sim F56A-C92A
 with sigma of 0.02
 F58-F59 \\sim F58A-F59A
 with sigma of 0.04
 O7-C89 \\sim O7A-C89A
 with sigma of 0.02
 F59-C89 \\sim F59A-C89A
 with sigma of 0.04
 C90-C89 \\sim C90A-C89A
 with sigma of 0.02
 F57-C89 \\sim F57A-C89A
 with sigma of 0.04
 C89-C92 \\sim C89A-C92A
 with sigma of 0.02
 C89-C91 \\sim C89A-C91A
 with sigma of 0.02
 O7-C90 \\sim O7A-C90A
 with sigma of 0.04
 O7-C91 \\sim O7A-C91A
 with sigma of 0.04
 F55-C92 \\sim F55A-C92A
 with sigma of 0.02
 C90-C92 \\sim C90A-C92A
 with sigma of 0.04
 Al2-C89 \\sim Al2-C89A
 with sigma of 0.04
 C89-F55 \\sim C89A-F55A
 with sigma of 0.04
 F62-F63 \\sim F62A-F63A
 with sigma of 0.04
 F62-F61 \\sim F62A-F61A
 with sigma of 0.04
 C92-C91 \\sim C92A-C91A
 with sigma of 0.04
 F62-C89 \\sim F62A-C89A
 with sigma of 0.04
 F56-F55 \\sim F56A-F55A
 with sigma of 0.04
 F63-F61 \\sim F63A-F61A
 with sigma of 0.04
 F57-C92 \\sim F57A-C92A
 with sigma of 0.02
 F63-C89 \\sim F63A-C89A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Al2 \\sim O5 \\sim O6 \\sim O7 \\sim O8 \\sim F37 \\sim F38 \\sim F39 \\sim F40
\\sim F41 \\sim F42 \\sim F43 \\sim F44 \\sim F45 \\sim F46 \\sim F47 \\sim F48
\\sim F49 \\sim F50 \\sim F51 \\sim F52 \\sim F53 \\sim F54 \\sim F55 \\sim F56
\\sim F57 \\sim F58 \\sim F59 \\sim F60 \\sim F61 \\sim F62 \\sim F63 \\sim F64
\\sim F65 \\sim F66 \\sim F67 \\sim F68 \\sim F69 \\sim F70 \\sim F71 \\sim F72
\\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88
\\sim C89 \\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim
C96: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Al2 \\sim O8 \\sim O8A \\sim F64 \\sim F64A \\sim F65 \\sim F65A \\sim F66
\\sim F66A \\sim F67 \\sim F67A \\sim F68 \\sim F68A \\sim F69 \\sim F69A \\sim
F70 \\sim F70A \\sim F71 \\sim F71A \\sim F72 \\sim F72A \\sim C93 \\sim C93A
\\sim C94 \\sim C94A \\sim C95 \\sim C95A \\sim C96 \\sim C96A: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Al2 \\sim O6 \\sim O6A \\sim F46 \\sim F46A \\sim F47 \\sim F47A \\sim F48
\\sim F48A \\sim F49 \\sim F49A \\sim F50 \\sim F50A \\sim F51 \\sim F51A \\sim
F52 \\sim F52A \\sim F53 \\sim F53A \\sim F54 \\sim F54A \\sim C85 \\sim C85A
\\sim C86 \\sim C86A \\sim C87 \\sim C87A \\sim C88 \\sim C88A: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Al2 \\sim O7 \\sim O7A \\sim F55 \\sim F55A \\sim F56 \\sim F56A \\sim F57
\\sim F57A \\sim F58 \\sim F58A \\sim F59 \\sim F59A \\sim F60 \\sim F60A \\sim
F61 \\sim F61A \\sim F62 \\sim F62A \\sim F63 \\sim F63A \\sim C89 \\sim C89A
\\sim C90 \\sim C90A \\sim C91 \\sim C91A \\sim C92 \\sim C92A: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
Uanis(F66A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(O8A)=Sof(F64A)=Sof(F65A)=Sof(F66A)=Sof(F67A)=Sof(F68A)=Sof(F69A)=
 Sof(F70A)=Sof(F71A)=Sof(F72A)=Sof(C93A)=Sof(C94A)=Sof(C95A)=Sof(C96A)=1-FVAR(1)
 Sof(O8)=Sof(F64)=Sof(F65)=Sof(F66)=Sof(F67)=Sof(F68)=Sof(F69)=Sof(F70)=
 Sof(F71)=Sof(F72)=Sof(C93)=Sof(C94)=Sof(C95)=Sof(C96)=FVAR(1)
 Sof(O6A)=Sof(F46A)=Sof(F47A)=Sof(F48A)=Sof(F49A)=Sof(F50A)=Sof(F51A)=
 Sof(F52A)=Sof(F53A)=Sof(F54A)=Sof(C85A)=Sof(C86A)=Sof(C87A)=Sof(C88A)=1-FVAR(2)
 Sof(O6)=Sof(F46)=Sof(F47)=Sof(F48)=Sof(F49)=Sof(F50)=Sof(F51)=Sof(F52)=
 Sof(F53)=Sof(F54)=Sof(C85)=Sof(C86)=Sof(C87)=Sof(C88)=FVAR(2)
 Sof(O7A)=Sof(F55A)=Sof(F56A)=Sof(F57A)=Sof(F58A)=Sof(F59A)=Sof(F60A)=
 Sof(F61A)=Sof(F62A)=Sof(F63A)=Sof(C89A)=Sof(C90A)=Sof(C91A)=Sof(C92A)=1-FVAR(3)
 Sof(O7)=Sof(F55)=Sof(F56)=Sof(F57)=Sof(F58)=Sof(F59)=Sof(F60)=Sof(F61)=
 Sof(F62)=Sof(F63)=Sof(C89)=Sof(C90)=Sof(C91)=Sof(C92)=FVAR(3)
5.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C18(H18A,H18B), C19(H19A,H19B), C34(H34A,H34B),
 C35(H35A,H35B), C50(H50A,H50B), C51(H51A,H51B)
5.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), 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), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C),
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,
 H39B,H39C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C),
 C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,
 H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C53(H53A,H53B,H53C), C54(H54A,
 H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,
 H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C)
;
_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 0.24976(2) 0.38295(2) 0.76515(2) 0.03015(5) Uani 1 1 d . . . . .
Ge1 Ge 0.26408(2) 0.36911(2) 0.86822(2) 0.02853(9) Uani 1 1 d . . . . .
Si1 Si 0.18234(6) 0.29447(4) 0.90918(5) 0.0430(3) Uani 1 1 d . . . . .
C1 C 0.26374(18) 0.32023(11) 0.91184(15) 0.0321(7) Uani 1 1 d . . . . .
Ge2 Ge 0.23832(2) 0.39816(2) 0.66246(2) 0.02793(9) Uani 1 1 d . . . . .
Si2 Si 0.32655(6) 0.28768(3) 0.87745(5) 0.0403(2) Uani 1 1 d . . . . .
C2 C 0.28873(19) 0.33407(11) 0.97556(16) 0.0346(8) Uani 1 1 d . . . . .
H2A H 0.271020 0.316409 1.004951 0.042 Uiso 1 1 calc R U . . .
H2B H 0.336051 0.331759 0.980384 0.042 Uiso 1 1 calc R U . . .
Si3 Si 0.21681(6) 0.44508(3) 0.92233(6) 0.0435(3) Uani 1 1 d . . . . .
C3 C 0.26943(19) 0.37730(11) 0.98754(16) 0.0346(8) Uani 1 1 d . . . . .
H3A H 0.294700 0.387113 1.023469 0.041 Uiso 1 1 calc R U . . .
H3B H 0.223500 0.378199 0.994846 0.041 Uiso 1 1 calc R U . . .
Si4 Si 0.36590(5) 0.42677(3) 0.93885(5) 0.0361(2) Uani 1 1 d . . . . .
C4 C 0.28113(18) 0.40493(11) 0.93420(15) 0.0313(7) Uani 1 1 d . . . . .
Si5 Si 0.11323(6) 0.35981(4) 0.61981(5) 0.0413(2) Uani 1 1 d . . . . .
C5 C 0.1919(3) 0.24097(16) 0.9305(3) 0.0750(17) Uani 1 1 d . . . . .
H5A H 0.214725 0.226951 0.900877 0.112 Uiso 1 1 calc R U . . .
H5B H 0.149552 0.228966 0.932757 0.112 Uiso 1 1 calc R U . . .
H5C H 0.216520 0.238989 0.969159 0.112 Uiso 1 1 calc R U . . .
Si6 Si 0.11801(6) 0.45409(4) 0.62047(6) 0.0490(3) Uani 1 1 d . . . . .
C6 C 0.1319(2) 0.31641(17) 0.9647(2) 0.0611(13) Uani 1 1 d . . . . .
H6A H 0.155415 0.315472 1.003959 0.092 Uiso 1 1 calc R U . . .
H6B H 0.092037 0.301223 0.965239 0.092 Uiso 1 1 calc R U . . .
H6C H 0.121835 0.344042 0.954181 0.092 Uiso 1 1 calc R U . . .
Si7 Si 0.34965(6) 0.35908(4) 0.59234(6) 0.0530(3) Uani 1 1 d . . . . .
C7 C 0.1389(3) 0.2988(2) 0.8342(2) 0.0703(16) Uani 1 1 d . . . . .
H7A H 0.129894 0.326835 0.825364 0.105 Uiso 1 1 calc R U . . .
H7B H 0.098421 0.284092 0.833254 0.105 Uiso 1 1 calc R U . . .
H7C H 0.165452 0.287831 0.804749 0.105 Uiso 1 1 calc R U . . .
Si8 Si 0.35768(5) 0.44524(3) 0.64668(5) 0.0402(2) Uani 1 1 d . . . . .
C8 C 0.3619(3) 0.25338(16) 0.9355(3) 0.0730(17) Uani 1 1 d . . . . .
H8A H 0.385223 0.268735 0.967078 0.110 Uiso 1 1 calc R U . . .
H8B H 0.391446 0.235071 0.918206 0.110 Uiso 1 1 calc R U . . .
H8C H 0.327549 0.238230 0.951844 0.110 Uiso 1 1 calc R U . . .
C9 C 0.3932(2) 0.31799(14) 0.8514(2) 0.0513(11) Uani 1 1 d . . . . .
H9A H 0.376233 0.335779 0.819722 0.077 Uiso 1 1 calc R U . . .
H9B H 0.425431 0.300374 0.836519 0.077 Uiso 1 1 calc R U . . .
H9C H 0.413094 0.333727 0.884396 0.077 Uiso 1 1 calc R U . . .
C10 C 0.2933(3) 0.26152(18) 0.8098(3) 0.0724(16) Uani 1 1 d . . . . .
H10A H 0.260316 0.242692 0.820060 0.109 Uiso 1 1 calc R U . . .
H10B H 0.327723 0.247141 0.792412 0.109 Uiso 1 1 calc R U . . .
H10C H 0.274236 0.280889 0.781302 0.109 Uiso 1 1 calc R U . . .
C11 C 0.1386(2) 0.42233(17) 0.8924(3) 0.0695(16) Uani 1 1 d . . . . .
H11A H 0.144583 0.408444 0.855397 0.104 Uiso 1 1 calc R U . . .
H11B H 0.106401 0.443248 0.885045 0.104 Uiso 1 1 calc R U . . .
H11C H 0.124159 0.403446 0.921275 0.104 Uiso 1 1 calc R U . . .
C12 C 0.2027(3) 0.46784(16) 0.9944(2) 0.0671(15) Uani 1 1 d . . . . .
H12A H 0.186518 0.447638 1.020374 0.101 Uiso 1 1 calc R U . . .
H12B H 0.171178 0.489238 0.988213 0.101 Uiso 1 1 calc R U . . .
H12C H 0.243121 0.478664 1.012843 0.101 Uiso 1 1 calc R U . . .
C13 C 0.2376(3) 0.48256(15) 0.8665(2) 0.0577(12) Uani 1 1 d . . . . .
H13A H 0.277130 0.496347 0.880858 0.087 Uiso 1 1 calc R U . . .
H13B H 0.202622 0.501837 0.860084 0.087 Uiso 1 1 calc R U . . .
H13C H 0.243948 0.469159 0.829116 0.087 Uiso 1 1 calc R U . . .
C14 C 0.4246(2) 0.39248(15) 0.9791(2) 0.0504(11) Uani 1 1 d . . . . .
H14A H 0.409809 0.385814 1.017610 0.076 Uiso 1 1 calc R U . . .
H14B H 0.466596 0.405443 0.984756 0.076 Uiso 1 1 calc R U . . .
H14C H 0.428232 0.368164 0.955895 0.076 Uiso 1 1 calc R U . . .
C15 C 0.3710(3) 0.47405(14) 0.9819(2) 0.0568(12) Uani 1 1 d . . . . .
H15A H 0.342384 0.493820 0.961917 0.085 Uiso 1 1 calc R U . . .
H15B H 0.415176 0.483928 0.984578 0.085 Uiso 1 1 calc R U . . .
H15C H 0.358050 0.469210 1.021690 0.085 Uiso 1 1 calc R U . . .
C16 C 0.3926(2) 0.43591(15) 0.8634(2) 0.0508(11) Uani 1 1 d . . . . .
H16A H 0.395977 0.410541 0.842816 0.076 Uiso 1 1 calc R U . . .
H16B H 0.434454 0.449085 0.867034 0.076 Uiso 1 1 calc R U . . .
H16C H 0.361193 0.452871 0.840933 0.076 Uiso 1 1 calc R U . . .
C17 C 0.16326(18) 0.40614(12) 0.60740(16) 0.0368(8) Uani 1 1 d . . . . .
C18 C 0.1935(2) 0.40517(15) 0.54705(17) 0.0461(10) Uani 1 1 d . . . . .
H18A H 0.194784 0.377418 0.532901 0.055 Uiso 1 1 calc R U . . .
H18B H 0.166252 0.420641 0.517554 0.055 Uiso 1 1 calc R U . . .
C19 C 0.2622(2) 0.42246(15) 0.55210(18) 0.0460(10) Uani 1 1 d . . . . .
H19A H 0.259894 0.451744 0.554673 0.055 Uiso 1 1 calc R U . . .
H19B H 0.283368 0.415591 0.516158 0.055 Uiso 1 1 calc R U . . .
C20 C 0.30278(18) 0.40606(12) 0.60755(16) 0.0349(8) Uani 1 1 d . . . . .
C21 C 0.0578(3) 0.34948(19) 0.5525(2) 0.0652(14) Uani 1 1 d . . . . .
H21A H 0.027264 0.371392 0.545992 0.098 Uiso 1 1 calc R U . . .
H21B H 0.034468 0.324753 0.558097 0.098 Uiso 1 1 calc R U . . .
H21C H 0.082760 0.346864 0.518110 0.098 Uiso 1 1 calc R U . . .
C22 C 0.1671(3) 0.31564(15) 0.6323(3) 0.0624(13) Uani 1 1 d . . . . .
H22A H 0.190048 0.311016 0.597132 0.094 Uiso 1 1 calc R U . . .
H22B H 0.141344 0.292220 0.640010 0.094 Uiso 1 1 calc R U . . .
H22C H 0.198122 0.320581 0.666394 0.094 Uiso 1 1 calc R U . . .
C23 C 0.0700(2) 0.36423(16) 0.6879(2) 0.0551(12) Uani 1 1 d . . . . .
H23A H 0.100899 0.369566 0.721890 0.083 Uiso 1 1 calc R U . . .
H23B H 0.047303 0.339384 0.694400 0.083 Uiso 1 1 calc R U . . .
H23C H 0.039029 0.386060 0.683183 0.083 Uiso 1 1 calc R U . . .
C24 C 0.0324(2) 0.45108(19) 0.5900(3) 0.0738(17) Uani 1 1 d . . . . .
H24A H 0.030420 0.444561 0.547818 0.111 Uiso 1 1 calc R U . . .
H24B H 0.011452 0.476693 0.595175 0.111 Uiso 1 1 calc R U . . .
H24C H 0.010496 0.430423 0.610954 0.111 Uiso 1 1 calc R U . . .
C25 C 0.1212(3) 0.46652(17) 0.7005(2) 0.0669(14) Uani 1 1 d . . . . .
H25A H 0.104737 0.444125 0.722234 0.100 Uiso 1 1 calc R U . . .
H25B H 0.094889 0.490064 0.706032 0.100 Uiso 1 1 calc R U . . .
H25C H 0.165688 0.471910 0.715526 0.100 Uiso 1 1 calc R U . . .
C26 C 0.1514(3) 0.49663(17) 0.5802(3) 0.0798(19) Uani 1 1 d . . . . .
H26A H 0.196780 0.500202 0.593829 0.120 Uiso 1 1 calc R U . . .
H26B H 0.127667 0.520854 0.588005 0.120 Uiso 1 1 calc R U . . .
H26C H 0.147352 0.491133 0.537679 0.120 Uiso 1 1 calc R U . . .
C27 C 0.3070(3) 0.3296(2) 0.5320(3) 0.095(2) Uani 1 1 d . . . . .
H27A H 0.269178 0.317012 0.546546 0.143 Uiso 1 1 calc R U . . .
H27B H 0.335789 0.309034 0.518937 0.143 Uiso 1 1 calc R U . . .
H27C H 0.293614 0.347062 0.498765 0.143 Uiso 1 1 calc R U . . .
C28 C 0.3602(3) 0.32720(15) 0.6601(3) 0.0695(15) Uani 1 1 d . . . . .
H28A H 0.377180 0.343303 0.693833 0.104 Uiso 1 1 calc R U . . .
H28B H 0.390240 0.305645 0.653654 0.104 Uiso 1 1 calc R U . . .
H28C H 0.318678 0.315975 0.668267 0.104 Uiso 1 1 calc R U . . .
C29 C 0.4294(3) 0.3710(2) 0.5652(3) 0.0814(19) Uani 1 1 d . . . . .
H29A H 0.423404 0.389488 0.531897 0.122 Uiso 1 1 calc R U . . .
H29B H 0.449350 0.346549 0.552380 0.122 Uiso 1 1 calc R U . . .
H29C H 0.457072 0.383212 0.597220 0.122 Uiso 1 1 calc R U . . .
C30 C 0.4150(2) 0.42225(15) 0.7037(2) 0.0507(11) Uani 1 1 d . . . . .
H30A H 0.391226 0.406851 0.731244 0.076 Uiso 1 1 calc R U . . .
H30B H 0.439706 0.443090 0.725471 0.076 Uiso 1 1 calc R U . . .
H30C H 0.444224 0.404670 0.684623 0.076 Uiso 1 1 calc R U . . .
C31 C 0.3096(2) 0.48147(15) 0.6865(3) 0.0614(13) Uani 1 1 d . . . . .
H31A H 0.277569 0.493976 0.658341 0.092 Uiso 1 1 calc R U . . .
H31B H 0.338055 0.501873 0.704939 0.092 Uiso 1 1 calc R U . . .
H31C H 0.287898 0.467593 0.716982 0.092 Uiso 1 1 calc R U . . .
C32 C 0.3991(3) 0.47427(17) 0.5917(3) 0.0666(15) Uani 1 1 d . . . . .
H32A H 0.426498 0.456554 0.570697 0.100 Uiso 1 1 calc R U . . .
H32B H 0.425455 0.494952 0.612066 0.100 Uiso 1 1 calc R U . . .
H32C H 0.367119 0.486592 0.563324 0.100 Uiso 1 1 calc R U . . .
Al1 Al 0.95572(5) 0.63228(3) 0.79592(5) 0.0267(2) Uani 1 1 d . . . . .
F1 F 0.9793(3) 0.66425(14) 0.93068(18) 0.1264(19) Uani 1 1 d . . . . .
O1 O 1.00648(14) 0.67007(9) 0.82023(13) 0.0450(7) Uani 1 1 d . . . . .
F2 F 0.9223(2) 0.71098(15) 0.90134(18) 0.1023(13) Uani 1 1 d . . . . .
O2 O 0.96484(16) 0.59114(9) 0.84052(15) 0.0521(8) Uani 1 1 d . . . . .
F3 F 1.0090(2) 0.72224(16) 0.95455(17) 0.1236(19) Uani 1 1 d . . . . .
O3 O 0.87835(13) 0.64864(10) 0.80052(13) 0.0453(7) Uani 1 1 d . . . . .
F4 F 1.1106(2) 0.67487(18) 0.9074(2) 0.140(2) Uani 1 1 d . . . . .
O4 O 0.97060(14) 0.61943(10) 0.72507(12) 0.0462(7) Uani 1 1 d . . . . .
F5 F 1.12388(15) 0.69863(15) 0.82324(18) 0.1005(14) Uani 1 1 d . . . . .
F6 F 1.1132(2) 0.73584(16) 0.8958(3) 0.146(2) Uani 1 1 d . . . . .
F7 F 1.0018(3) 0.77168(12) 0.8558(3) 0.143(2) Uani 1 1 d . . . . .
F8 F 1.0327(2) 0.74762(13) 0.7776(2) 0.1162(16) Uani 1 1 d . . . . .
F9 F 0.9386(2) 0.73720(12) 0.7963(2) 0.1078(14) Uani 1 1 d . . . . .
F10 F 0.9990(3) 0.48995(12) 0.8277(3) 0.144(2) Uani 1 1 d . . . . .
F11 F 0.9265(3) 0.52542(17) 0.7859(2) 0.136(2) Uani 1 1 d . . . . .
F12 F 1.0230(3) 0.53449(13) 0.7653(2) 0.144(2) Uani 1 1 d . . . . .
F13 F 1.0026(3) 0.51371(15) 0.9397(2) 0.147(2) Uani 1 1 d . . . . .
F14 F 0.9082(2) 0.52752(12) 0.90008(18) 0.0983(13) Uani 1 1 d . . . . .
F15 F 0.9590(2) 0.57059(13) 0.95182(16) 0.0978(13) Uani 1 1 d . . . . .
F16 F 1.1009(2) 0.53331(19) 0.8774(4) 0.196(3) Uani 1 1 d . . . . .
F17 F 1.09026(19) 0.58885(16) 0.8335(3) 0.1246(18) Uani 1 1 d . . . . .
F18 F 1.0766(2) 0.5875(2) 0.9252(2) 0.136(2) Uani 1 1 d . . . . .
F19 F 0.8106(2) 0.57625(13) 0.8296(2) 0.1009(13) Uani 1 1 d . . . . .
F20 F 0.83614(17) 0.61980(14) 0.89708(14) 0.0886(12) Uani 1 1 d . . . . .
F21 F 0.73817(18) 0.61557(19) 0.86017(19) 0.129(2) Uani 1 1 d . . . . .
F22 F 0.7916(2) 0.69104(17) 0.8712(2) 0.1279(19) Uani 1 1 d . . . . .
F23 F 0.71874(18) 0.68145(18) 0.7978(2) 0.136(2) Uani 1 1 d . . . . .
F24 F 0.8058(2) 0.71240(14) 0.7856(3) 0.1194(17) Uani 1 1 d . . . . .
F25 F 0.72951(17) 0.61102(17) 0.73965(18) 0.1108(16) Uani 1 1 d . . . . .
F26 F 0.7837(2) 0.65813(16) 0.69917(16) 0.1075(14) Uani 1 1 d . . . . .
F27 F 0.82398(17) 0.59991(14) 0.71951(17) 0.0979(14) Uani 1 1 d . . . . .
F28 F 0.9335(2) 0.68784(12) 0.67945(18) 0.1022(13) Uani 1 1 d . . . . .
F29 F 0.8923(2) 0.64274(17) 0.61840(19) 0.1130(15) Uani 1 1 d . . . . .
F30 F 0.9737(2) 0.67773(13) 0.59802(16) 0.1032(14) Uani 1 1 d . . . . .
F31 F 0.93477(19) 0.56944(12) 0.64170(17) 0.0897(11) Uani 1 1 d . . . . .
F32 F 0.9885(2) 0.59731(14) 0.57690(14) 0.0997(13) Uani 1 1 d . . . . .
F33 F 1.0374(2) 0.56628(13) 0.6505(2) 0.1197(17) Uani 1 1 d . . . . .
F34 F 1.09538(16) 0.62288(14) 0.7214(2) 0.0971(13) Uani 1 1 d . . . . .
F35 F 1.0618(2) 0.68154(13) 0.69474(18) 0.1100(15) Uani 1 1 d . . . . .
F36 F 1.0892(2) 0.63987(17) 0.6290(2) 0.1246(19) Uani 1 1 d . . . . .
C65 C 0.8150(2) 0.64288(15) 0.7988(2) 0.0471(10) Uani 1 1 d . . . . .
C66 C 0.7995(3) 0.6129(3) 0.8471(3) 0.078(2) Uani 1 1 d . . . . .
C67 C 0.7827(3) 0.6836(3) 0.8147(3) 0.093(2) Uani 1 1 d . . . . .
C68 C 0.7868(3) 0.6280(2) 0.7387(3) 0.0776(19) Uani 1 1 d . . . . .
C69 C 0.9919(2) 0.62743(13) 0.67301(18) 0.0429(10) Uani 1 1 d . . . . .
C70 C 0.9842(4) 0.5902(2) 0.6337(3) 0.0798(19) Uani 1 1 d . . . . .
C71 C 1.0622(3) 0.6415(2) 0.6799(3) 0.083(2) Uani 1 1 d . . . . .
C72 C 0.9493(4) 0.6616(2) 0.6413(3) 0.0837(19) Uani 1 1 d . . . . .
C73 C 1.0207(2) 0.70137(13) 0.8552(2) 0.0475(10) Uani 1 1 d . . . . .
C74 C 1.0932(3) 0.70302(19) 0.8690(3) 0.0720(16) Uani 1 1 d . . . . .
C75 C 0.9847(3) 0.7001(2) 0.9127(3) 0.0754(17) Uani 1 1 d . . . . .
C76 C 0.9983(3) 0.74006(16) 0.8198(3) 0.0709(16) Uani 1 1 d . . . . .
C77 C 0.9958(2) 0.55825(13) 0.8586(2) 0.0491(11) Uani 1 1 d . . . . .
C78 C 0.9851(5) 0.52607(19) 0.8090(4) 0.098(3) Uani 1 1 d . . . . .
C79 C 0.9659(4) 0.5434(2) 0.9135(3) 0.0760(17) Uani 1 1 d . . . . .
C80 C 1.0682(4) 0.5676(2) 0.8755(4) 0.095(2) Uani 1 1 d . . . . .
Au2 Au 0.25531(2) 0.88318(2) 0.76369(2) 0.03007(5) Uani 1 1 d . . . . .
Ge3 Ge 0.26435(2) 0.90283(2) 0.86545(2) 0.02752(9) Uani 1 1 d . . . . .
Ge4 Ge 0.24047(2) 0.86294(2) 0.66225(2) 0.02729(9) Uani 1 1 d . . . . .
Si9 Si 0.15919(5) 0.86466(3) 0.94503(4) 0.0329(2) Uani 1 1 d . . . . .
Si10 Si 0.29717(5) 0.82725(3) 0.93466(5) 0.0365(2) Uani 1 1 d . . . . .
Si11 Si 0.23382(6) 0.99076(3) 0.85611(5) 0.0373(2) Uani 1 1 d . . . . .
Si12 Si 0.37684(5) 0.96690(3) 0.89825(5) 0.0366(2) Uani 1 1 d . . . . .
Si13 Si 0.10059(6) 0.88147(4) 0.62964(6) 0.0488(3) Uani 1 1 d . . . . .
Si14 Si 0.13888(6) 0.79078(4) 0.64700(5) 0.0454(3) Uani 1 1 d . . . . .
Si15 Si 0.37078(6) 0.83279(4) 0.63357(5) 0.0440(3) Uani 1 1 d . . . . .
Si16 Si 0.31694(6) 0.90986(3) 0.56535(5) 0.0427(3) Uani 1 1 d . . . . .
C33 C 0.24828(17) 0.87516(10) 0.93743(15) 0.0280(7) Uani 1 1 d . . . . .
C34 C 0.27748(18) 0.90464(11) 0.98579(15) 0.0316(7) Uani 1 1 d . . . . .
H34A H 0.256166 0.900754 1.022600 0.038 Uiso 1 1 calc R U . . .
H34B H 0.323714 0.898872 0.994534 0.038 Uiso 1 1 calc R U . . .
C35 C 0.26899(17) 0.94827(11) 0.96526(15) 0.0296(7) Uani 1 1 d . . . . .
H35A H 0.295967 0.965702 0.992273 0.036 Uiso 1 1 calc R U . . .
H35B H 0.223697 0.956293 0.967022 0.036 Uiso 1 1 calc R U . . .
C36 C 0.28837(17) 0.95362(10) 0.90051(15) 0.0296(7) Uani 1 1 d . . . . .
C37 C 0.1473(2) 0.82054(15) 0.9923(2) 0.0545(12) Uani 1 1 d . . . . .
H37A H 0.164063 0.796861 0.973797 0.082 Uiso 1 1 calc R U . . .
H37B H 0.101484 0.817040 0.996498 0.082 Uiso 1 1 calc R U . . .
H37C H 0.170230 0.824503 1.031305 0.082 Uiso 1 1 calc R U . . .
C38 C 0.12135(19) 0.90627(14) 0.98392(19) 0.0453(10) Uani 1 1 d . . . . .
H38A H 0.147793 0.912662 1.020420 0.068 Uiso 1 1 calc R U . . .
H38B H 0.078442 0.898287 0.993510 0.068 Uiso 1 1 calc R U . . .
H38C H 0.117986 0.929664 0.958207 0.068 Uiso 1 1 calc R U . . .
C39 C 0.1152(2) 0.85601(14) 0.87134(18) 0.0446(10) Uani 1 1 d . . . . .
H39A H 0.111432 0.881064 0.849408 0.067 Uiso 1 1 calc R U . . .
H39B H 0.072250 0.845707 0.876587 0.067 Uiso 1 1 calc R U . . .
H39C H 0.138674 0.836693 0.849233 0.067 Uiso 1 1 calc R U . . .
C40 C 0.2597(2) 0.79193(13) 0.8788(2) 0.0528(11) Uani 1 1 d . . . . .
H40A H 0.218250 0.783044 0.891055 0.079 Uiso 1 1 calc R U . . .
H40B H 0.287910 0.768965 0.875688 0.079 Uiso 1 1 calc R U . . .
H40C H 0.253150 0.805189 0.840382 0.079 Uiso 1 1 calc R U . . .
C41 C 0.3101(2) 0.80370(15) 1.0091(2) 0.0571(12) Uani 1 1 d . . . . .
H41A H 0.315436 0.824390 1.039421 0.086 Uiso 1 1 calc R U . . .
H41B H 0.348663 0.787122 1.010824 0.086 Uiso 1 1 calc R U . . .
H41C H 0.272905 0.787216 1.016061 0.086 Uiso 1 1 calc R U . . .
C42 C 0.3780(2) 0.83991(15) 0.9105(3) 0.0584(13) Uani 1 1 d . . . . .
H42A H 0.373086 0.850752 0.870360 0.088 Uiso 1 1 calc R U . . .
H42B H 0.404506 0.815921 0.911110 0.088 Uiso 1 1 calc R U . . .
H42C H 0.398673 0.859678 0.937502 0.088 Uiso 1 1 calc R U . . .
C43 C 0.1515(2) 0.96924(15) 0.8411(2) 0.0536(11) Uani 1 1 d . . . . .
H43A H 0.153625 0.945635 0.816136 0.080 Uiso 1 1 calc R U . . .
H43B H 0.123170 0.988969 0.820744 0.080 Uiso 1 1 calc R U . . .
H43C H 0.134765 0.961865 0.878542 0.080 Uiso 1 1 calc R U . . .
C44 C 0.2254(3) 1.03688(13) 0.9003(2) 0.0546(12) Uani 1 1 d . . . . .
H44A H 0.214437 1.029801 0.940064 0.082 Uiso 1 1 calc R U . . .
H44B H 0.191406 1.053518 0.880956 0.082 Uiso 1 1 calc R U . . .
H44C H 0.266019 1.051533 0.903171 0.082 Uiso 1 1 calc R U . . .
C45 C 0.2627(3) 1.00128(15) 0.78204(19) 0.0541(12) Uani 1 1 d . . . . .
H45A H 0.303934 1.015220 0.787201 0.081 Uiso 1 1 calc R U . . .
H45B H 0.231283 1.017890 0.759016 0.081 Uiso 1 1 calc R U . . .
H45C H 0.268141 0.976237 0.761100 0.081 Uiso 1 1 calc R U . . .
C46 C 0.3905(2) 1.02173(13) 0.9025(2) 0.0543(12) Uani 1 1 d . . . . .
H46A H 0.373724 1.032149 0.938428 0.082 Uiso 1 1 calc R U . . .
H46B H 0.368268 1.034522 0.867799 0.082 Uiso 1 1 calc R U . . .
H46C H 0.436523 1.027229 0.903608 0.082 Uiso 1 1 calc R U . . .
C47 C 0.4086(2) 0.94650(14) 0.8301(2) 0.0521(11) Uani 1 1 d . . . . .
H47A H 0.453081 0.955224 0.828201 0.078 Uiso 1 1 calc R U . . .
H47B H 0.382375 0.956145 0.795172 0.078 Uiso 1 1 calc R U . . .
H47C H 0.407123 0.917446 0.831092 0.078 Uiso 1 1 calc R U . . .
C48 C 0.42616(19) 0.94676(14) 0.9643(2) 0.0456(10) Uani 1 1 d . . . . .
H48A H 0.404684 0.952360 1.000045 0.068 Uiso 1 1 calc R U . . .
H48B H 0.468513 0.959360 0.967427 0.068 Uiso 1 1 calc R U . . .
H48C H 0.431079 0.918010 0.959964 0.068 Uiso 1 1 calc R U . . .
C49 C 0.16420(18) 0.84178(12) 0.61982(16) 0.0353(8) Uani 1 1 d . . . . .
C50 C 0.1842(2) 0.84033(12) 0.55485(16) 0.0379(8) Uani 1 1 d . . . . .
H50A H 0.160098 0.818938 0.532857 0.045 Uiso 1 1 calc R U . . .
H50B H 0.172862 0.865802 0.534870 0.045 Uiso 1 1 calc R U . . .
C51 C 0.2562(2) 0.83289(11) 0.55362(16) 0.0371(8) Uani 1 1 d . . . . .
H51A H 0.268810 0.838090 0.513323 0.045 Uiso 1 1 calc R U . . .
H51B H 0.265565 0.804706 0.563145 0.045 Uiso 1 1 calc R U . . .
C52 C 0.29662(18) 0.85992(10) 0.59871(16) 0.0308(7) Uani 1 1 d . . . . .
C53 C 0.1389(3) 0.93153(16) 0.6277(3) 0.0749(17) Uani 1 1 d . . . . .
H53A H 0.172052 0.933948 0.660667 0.112 Uiso 1 1 calc R U . . .
H53B H 0.106276 0.952095 0.631044 0.112 Uiso 1 1 calc R U . . .
H53C H 0.158344 0.934794 0.590256 0.112 Uiso 1 1 calc R U . . .
C54 C 0.0356(3) 0.8790(2) 0.5689(3) 0.086(2) Uani 1 1 d . . . . .
H54A H 0.054337 0.876125 0.531036 0.129 Uiso 1 1 calc R U . . .
H54B H 0.010173 0.903488 0.568402 0.129 Uiso 1 1 calc R U . . .
H54C H 0.007883 0.856239 0.575021 0.129 Uiso 1 1 calc R U . . .
C55 C 0.0677(3) 0.87843(19) 0.7036(2) 0.0687(15) Uani 1 1 d . . . . .
H55A H 0.048428 0.852236 0.708231 0.103 Uiso 1 1 calc R U . . .
H55B H 0.034994 0.898991 0.706386 0.103 Uiso 1 1 calc R U . . .
H55C H 0.102453 0.882465 0.734762 0.103 Uiso 1 1 calc R U . . .
C56 C 0.0515(3) 0.7818(2) 0.6267(3) 0.0821(19) Uani 1 1 d . . . . .
H56A H 0.026394 0.802983 0.643079 0.123 Uiso 1 1 calc R U . . .
H56B H 0.039246 0.756169 0.642887 0.123 Uiso 1 1 calc R U . . .
H56C H 0.043196 0.781379 0.583601 0.123 Uiso 1 1 calc R U . . .
C57 C 0.1814(3) 0.75028(14) 0.6107(3) 0.0751(18) Uani 1 1 d . . . . .
H57A H 0.175395 0.753558 0.567734 0.113 Uiso 1 1 calc R U . . .
H57B H 0.164014 0.724576 0.621656 0.113 Uiso 1 1 calc R U . . .
H57C H 0.227289 0.751378 0.623697 0.113 Uiso 1 1 calc R U . . .
C58 C 0.1584(3) 0.78597(15) 0.7280(2) 0.0590(13) Uani 1 1 d . . . . .
H58A H 0.204652 0.789285 0.737364 0.089 Uiso 1 1 calc R U . . .
H58B H 0.145343 0.759669 0.740942 0.089 Uiso 1 1 calc R U . . .
H58C H 0.135399 0.806429 0.748427 0.089 Uiso 1 1 calc R U . . .
C59 C 0.4153(3) 0.80900(17) 0.5752(2) 0.0649(14) Uani 1 1 d . . . . .
H59A H 0.385597 0.792827 0.549449 0.097 Uiso 1 1 calc R U . . .
H59B H 0.449366 0.792091 0.593744 0.097 Uiso 1 1 calc R U . . .
H59C H 0.434139 0.829595 0.551623 0.097 Uiso 1 1 calc R U . . .
C60 C 0.4236(3) 0.86650(19) 0.6815(3) 0.0714(16) Uani 1 1 d . . . . .
H60A H 0.440751 0.887322 0.657205 0.107 Uiso 1 1 calc R U . . .
H60B H 0.459161 0.851206 0.701197 0.107 Uiso 1 1 calc R U . . .
H60C H 0.398699 0.878656 0.711364 0.107 Uiso 1 1 calc R U . . .
C61 C 0.3451(3) 0.79270(17) 0.6834(2) 0.0683(15) Uani 1 1 d . . . . .
H61A H 0.320015 0.804339 0.713568 0.103 Uiso 1 1 calc R U . . .
H61B H 0.383012 0.779449 0.702599 0.103 Uiso 1 1 calc R U . . .
H61C H 0.318671 0.773310 0.660133 0.103 Uiso 1 1 calc R U . . .
C62 C 0.3224(3) 0.94963(14) 0.6231(2) 0.0615(13) Uani 1 1 d . . . . .
H62A H 0.280493 0.952919 0.638771 0.092 Uiso 1 1 calc R U . . .
H62B H 0.335113 0.974667 0.605601 0.092 Uiso 1 1 calc R U . . .
H62C H 0.354325 0.942104 0.655299 0.092 Uiso 1 1 calc R U . . .
C63 C 0.2563(3) 0.92379(15) 0.5034(2) 0.0626(14) Uani 1 1 d . . . . .
H63A H 0.251521 0.901966 0.474832 0.094 Uiso 1 1 calc R U . . .
H63B H 0.270696 0.947681 0.483762 0.094 Uiso 1 1 calc R U . . .
H63C H 0.215000 0.929031 0.519113 0.094 Uiso 1 1 calc R U . . .
C64 C 0.3944(3) 0.90784(18) 0.5306(3) 0.0767(18) Uani 1 1 d . . . . .
H64A H 0.428727 0.899525 0.560138 0.115 Uiso 1 1 calc R U . . .
H64B H 0.404335 0.934172 0.515517 0.115 Uiso 1 1 calc R U . . .
H64C H 0.390888 0.888759 0.497927 0.115 Uiso 1 1 calc R U . . .
Al2 Al 0.45338(5) 0.63961(3) 0.77087(5) 0.0280(2) Uani 1 1 d D U . . .
O5 O 0.48431(19) 0.59458(10) 0.7859(2) 0.0760(12) Uani 1 1 d D U . . .
O6 O 0.3754(2) 0.64257(19) 0.7874(3) 0.0479(15) Uani 0.567(7) 1 d D U P A 1
O6A O 0.3737(3) 0.6339(3) 0.7494(6) 0.077(3) Uani 0.433(7) 1 d D U P A 2
O7 O 0.4626(3) 0.65451(15) 0.70133(18) 0.0478(12) Uani 0.716(8) 1 d D U P A 1
O7A O 0.4946(6) 0.6413(4) 0.7076(4) 0.042(2) Uani 0.284(8) 1 d D U P A 2
O8 O 0.4954(3) 0.66997(13) 0.8239(2) 0.0387(11) Uani 0.618(4) 1 d D U P A 1
O8A O 0.4612(5) 0.6807(3) 0.8101(5) 0.062(2) Uani 0.382(4) 1 d D U P A 2
F37 F 0.4660(3) 0.58597(18) 0.8985(2) 0.134(2) Uani 1 1 d . U . . .
F38 F 0.42177(15) 0.53534(12) 0.85325(17) 0.0853(11) Uani 1 1 d . U . . .
F39 F 0.5086(2) 0.52931(18) 0.9052(2) 0.140(2) Uani 1 1 d . U . . .
F40 F 0.4542(3) 0.5252(2) 0.7437(2) 0.157(3) Uani 1 1 d . U . . .
F41 F 0.5233(2) 0.49402(10) 0.8017(3) 0.1228(18) Uani 1 1 d . U . . .
F42 F 0.5506(3) 0.53385(16) 0.7312(2) 0.137(2) Uani 1 1 d . U . . .
F43 F 0.5899(2) 0.59592(18) 0.87996(18) 0.1224(19) Uani 1 1 d . U . . .
F44 F 0.61723(18) 0.54215(14) 0.8470(3) 0.145(2) Uani 1 1 d . U . . .
F45 F 0.61008(16) 0.59294(12) 0.79249(15) 0.0824(11) Uani 1 1 d . U . . .
F46 F 0.3086(11) 0.7013(5) 0.7391(10) 0.126(6) Uani 0.567(7) 1 d D U P A 1
F46A F 0.3039(11) 0.5722(6) 0.8076(10) 0.140(7) Uani 0.433(7) 1 d D U P A 2
F47 F 0.2209(7) 0.6702(5) 0.7235(9) 0.102(5) Uani 0.567(7) 1 d D U P A 1
F47A F 0.2246(8) 0.6076(6) 0.8051(10) 0.144(7) Uani 0.433(7) 1 d D U P A 2
F48 F 0.3058(5) 0.6557(5) 0.6695(5) 0.160(5) Uani 0.567(7) 1 d D U P A 1
F48A F 0.3020(6) 0.6202(6) 0.8691(7) 0.141(6) Uani 0.433(7) 1 d D U P A 2
F49 F 0.2716(5) 0.6767(4) 0.8421(7) 0.151(5) Uani 0.567(7) 1 d D U P A 1
F49A F 0.3135(7) 0.5822(4) 0.6785(7) 0.124(4) Uani 0.433(7) 1 d D U P A 2
F50 F 0.2237(6) 0.6248(4) 0.8264(7) 0.124(4) Uani 0.567(7) 1 d D U P A 1
F50A F 0.2307(9) 0.5997(6) 0.6962(10) 0.138(6) Uani 0.433(7) 1 d D U P A 2
F51 F 0.3319(7) 0.6169(5) 0.8580(6) 0.167(5) Uani 0.567(7) 1 d D U P A 1
F51A F 0.2745(8) 0.6452(6) 0.6535(8) 0.169(6) Uani 0.433(7) 1 d D U P A 2
F52 F 0.2423(7) 0.5892(4) 0.7182(8) 0.133(5) Uani 0.567(7) 1 d D U P A 1
F52A F 0.2197(8) 0.6743(8) 0.7432(12) 0.099(6) Uani 0.433(7) 1 d D U P A 2
F53 F 0.3055(8) 0.5651(3) 0.7810(5) 0.088(3) Uani 0.567(7) 1 d D U P A 1
F53A F 0.3081(14) 0.6993(8) 0.7211(13) 0.125(7) Uani 0.433(7) 1 d D U P A 2
F54 F 0.3460(4) 0.5876(3) 0.7050(5) 0.113(3) Uani 0.567(7) 1 d D U P A 1
F54A F 0.2933(8) 0.6884(4) 0.8137(7) 0.149(5) Uani 0.433(7) 1 d D U P A 2
F55 F 0.5877(3) 0.66842(15) 0.7121(3) 0.0728(16) Uani 0.716(8) 1 d D U P A 1
F55A F 0.4240(7) 0.7000(5) 0.6563(9) 0.085(4) Uani 0.284(8) 1 d D U P A 2
F56 F 0.5820(3) 0.61072(16) 0.6752(2) 0.0638(14) Uani 0.716(8) 1 d D U P A 1
F56A F 0.5196(10) 0.7182(5) 0.6712(7) 0.091(6) Uani 0.284(8) 1 d D U P A 2
F57 F 0.5994(3) 0.6600(2) 0.6192(3) 0.0782(18) Uani 0.716(8) 1 d D U P A 1
F57A F 0.4808(10) 0.7066(5) 0.5826(7) 0.073(4) Uani 0.284(8) 1 d D U P A 2
F58 F 0.4190(3) 0.70464(16) 0.6226(3) 0.0642(14) Uani 0.716(8) 1 d D U P A 1
F58A F 0.4744(12) 0.5858(5) 0.6153(9) 0.095(6) Uani 0.284(8) 1 d D U P A 2
F59 F 0.5165(3) 0.72317(18) 0.6462(3) 0.0577(14) Uani 0.716(8) 1 d D U P A 1
F59A F 0.3995(10) 0.6312(8) 0.6103(9) 0.085(6) Uani 0.284(8) 1 d D U P A 2
F60 F 0.4909(4) 0.6935(2) 0.5635(3) 0.0757(19) Uani 0.716(8) 1 d D U P A 1
F60A F 0.4717(11) 0.6303(6) 0.5515(6) 0.105(5) Uani 0.284(8) 1 d D U P A 2
F61 F 0.5045(3) 0.61212(17) 0.5670(2) 0.0749(16) Uani 0.716(8) 1 d D U P A 1
F61A F 0.5878(8) 0.6596(5) 0.5871(6) 0.071(4) Uani 0.284(8) 1 d D U P A 2
F62 F 0.4091(4) 0.6282(3) 0.5862(3) 0.073(2) Uani 0.716(8) 1 d D U P A 1
F62A F 0.5948(7) 0.6107(4) 0.6459(8) 0.077(4) Uani 0.284(8) 1 d D U P A 2
F63 F 0.4637(4) 0.5865(2) 0.6419(3) 0.0649(16) Uani 0.716(8) 1 d D U P A 1
F63A F 0.6115(5) 0.6687(4) 0.6804(6) 0.072(4) Uani 0.284(8) 1 d D U P A 2
F64 F 0.4840(4) 0.77508(19) 0.8334(3) 0.0682(17) Uani 0.618(4) 1 d D U P A 1
F64A F 0.5051(6) 0.7132(6) 0.9525(4) 0.127(4) Uani 0.382(4) 1 d D U P A 2
F65 F 0.5432(5) 0.7451(2) 0.7803(3) 0.104(3) Uani 0.618(4) 1 d D U P A 1
F65A F 0.4116(7) 0.7106(6) 0.9167(6) 0.123(5) Uani 0.382(4) 1 d D U P A 2
F66 F 0.4473(4) 0.73372(17) 0.7675(3) 0.103(3) Uani 0.618(4) 1 d D U P A 1
F66A F 0.4735(7) 0.6642(4) 0.9282(6) 0.121(5) Uani 0.382(4) 1 d D U P A 2
F67 F 0.4625(4) 0.73599(16) 0.9385(3) 0.0812(19) Uani 0.618(4) 1 d D U P A 1
F67A F 0.5979(6) 0.7282(4) 0.8831(6) 0.092(3) Uani 0.382(4) 1 d D U P A 2
F68 F 0.3928(4) 0.7184(3) 0.8687(6) 0.159(4) Uani 0.618(4) 1 d D U P A 1
F68A F 0.5843(5) 0.6894(4) 0.8013(6) 0.113(3) Uani 0.382(4) 1 d D U P A 2
F69 F 0.4301(5) 0.6779(3) 0.9173(4) 0.120(3) Uani 0.618(4) 1 d D U P A 1
F69A F 0.6001(6) 0.7207(5) 0.8198(7) 0.124(3) Uani 0.382(4) 1 d D U P A 2
F70 F 0.5815(3) 0.74380(16) 0.9068(3) 0.0767(19) Uani 0.618(4) 1 d D U P A 1
F70A F 0.4955(6) 0.7755(3) 0.8666(6) 0.087(4) Uani 0.382(4) 1 d D U P A 2
F71 F 0.5662(5) 0.6834(2) 0.9332(4) 0.151(3) Uani 0.618(4) 1 d D U P A 1
F71A F 0.4956(8) 0.7528(5) 0.7765(7) 0.129(5) Uani 0.382(4) 1 d D U P A 2
F72 F 0.6042(3) 0.6846(3) 0.8689(4) 0.135(3) Uani 0.618(4) 1 d D U P A 1
F72A F 0.4122(4) 0.7503(3) 0.8174(4) 0.086(3) Uani 0.382(4) 1 d D U P A 2
C81 C 0.51255(19) 0.56390(11) 0.81476(17) 0.0346(8) Uani 1 1 d D U . . .
C82 C 0.4772(3) 0.5530(2) 0.8688(2) 0.0678(15) Uani 1 1 d D U . . .
C83 C 0.5085(4) 0.5285(2) 0.7715(3) 0.0855(19) Uani 1 1 d D U . . .
C84 C 0.5833(2) 0.57284(16) 0.8320(2) 0.0562(12) Uani 1 1 d D U . . .
C85 C 0.3112(4) 0.6352(5) 0.7689(7) 0.062(3) Uani 0.567(7) 1 d D U P A 1
C85A C 0.3104(6) 0.6331(6) 0.7564(9) 0.072(3) Uani 0.433(7) 1 d D U P A 2
C86 C 0.2822(6) 0.6384(4) 0.8294(7) 0.105(3) Uani 0.567(7) 1 d D U P A 1
C86A C 0.2893(8) 0.6152(5) 0.6937(8) 0.100(4) Uani 0.433(7) 1 d D U P A 2
C87 C 0.2836(6) 0.6683(4) 0.7289(8) 0.093(3) Uani 0.567(7) 1 d D U P A 1
C87A C 0.2884(7) 0.6073(5) 0.8048(8) 0.098(4) Uani 0.433(7) 1 d D U P A 2
C88 C 0.2994(5) 0.5950(4) 0.7404(7) 0.093(3) Uani 0.567(7) 1 d D U P A 1
C88A C 0.2801(8) 0.6742(5) 0.7591(9) 0.092(4) Uani 0.433(7) 1 d D U P A 2
C89 C 0.4946(4) 0.6537(3) 0.6508(3) 0.0382(15) Uani 0.716(8) 1 d D U P A 1
C89A C 0.5027(9) 0.6515(6) 0.6511(6) 0.047(4) Uani 0.284(8) 1 d D U P A 2
C90 C 0.4675(6) 0.6196(3) 0.6103(5) 0.057(2) Uani 0.716(8) 1 d D U P A 1
C90A C 0.5750(8) 0.6478(5) 0.6403(8) 0.048(4) Uani 0.284(8) 1 d D U P A 2
C91 C 0.4785(5) 0.6943(3) 0.6202(4) 0.054(2) Uani 0.716(8) 1 d D U P A 1
C91A C 0.4628(12) 0.6231(7) 0.6083(10) 0.060(5) Uani 0.284(8) 1 d D U P A 2
C92 C 0.5671(4) 0.6484(3) 0.6640(4) 0.0529(19) Uani 0.716(8) 1 d D U P A 1
C92A C 0.4808(10) 0.6944(6) 0.6378(9) 0.056(5) Uani 0.284(8) 1 d D U P A 2
C93 C 0.4988(6) 0.7061(3) 0.8525(5) 0.041(2) Uani 0.618(4) 1 d D U P A 1
C93A C 0.4941(10) 0.7045(5) 0.8499(9) 0.049(3) Uani 0.382(4) 1 d D U P A 2
C94 C 0.4883(6) 0.7413(3) 0.8108(5) 0.062(2) Uani 0.618(4) 1 d D U P A 1
C94A C 0.4733(7) 0.6983(5) 0.9129(6) 0.055(3) Uani 0.382(4) 1 d D U P A 2
C95 C 0.5687(6) 0.7079(4) 0.8819(6) 0.089(3) Uani 0.618(4) 1 d D U P A 1
C95A C 0.4698(9) 0.7464(5) 0.8302(7) 0.071(4) Uani 0.382(4) 1 d D U P A 2
C96 C 0.4495(6) 0.7080(3) 0.8988(5) 0.079(3) Uani 0.618(4) 1 d D U P A 1
C96A C 0.5670(8) 0.7009(5) 0.8537(7) 0.079(3) Uani 0.382(4) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Ge1 2.3803(4) . ?
Au1 Ge2 2.3798(4) . ?
Ge1 C1 1.923(4) . ?
Ge1 C4 1.933(4) . ?
Si1 C1 1.908(4) . ?
Si1 C5 1.873(5) . ?
Si1 C6 1.866(5) . ?
Si1 C7 1.865(5) . ?
C1 Si2 1.929(4) . ?
C1 C2 1.566(5) . ?
Ge2 C17 1.940(4) . ?
Ge2 C20 1.933(4) . ?
Si2 C8 1.858(5) . ?
Si2 C9 1.867(5) . ?
Si2 C10 1.853(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.542(5) . ?
Si3 C4 1.911(4) . ?
Si3 C11 1.880(6) . ?
Si3 C12 1.855(5) . ?
Si3 C13 1.868(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.564(5) . ?
Si4 C4 1.915(4) . ?
Si4 C14 1.867(5) . ?
Si4 C15 1.867(5) . ?
Si4 C16 1.873(4) . ?
Si5 C17 1.914(4) . ?
Si5 C21 1.870(5) . ?
Si5 C22 1.874(5) . ?
Si5 C23 1.864(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
Si6 C17 1.909(4) . ?
Si6 C24 1.866(5) . ?
Si6 C25 1.862(6) . ?
Si6 C26 1.868(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
Si7 C20 1.910(4) . ?
Si7 C27 1.857(6) . ?
Si7 C28 1.874(6) . ?
Si7 C29 1.872(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
Si8 C20 1.917(4) . ?
Si8 C30 1.857(5) . ?
Si8 C31 1.865(5) . ?
Si8 C32 1.859(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 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 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 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 . ?
C17 C18 1.559(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.545(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.558(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
Al1 O1 1.719(3) . ?
Al1 O2 1.718(3) . ?
Al1 O3 1.722(3) . ?
Al1 O4 1.721(3) . ?
F1 C75 1.285(8) . ?
O1 C73 1.338(5) . ?
F2 C75 1.359(8) . ?
O2 C77 1.330(5) . ?
F3 C75 1.277(7) . ?
O3 C65 1.338(5) . ?
F4 C74 1.318(8) . ?
O4 C69 1.327(5) . ?
F5 C74 1.276(7) . ?
F6 C74 1.314(7) . ?
F7 C76 1.341(7) . ?
F8 C76 1.274(7) . ?
F9 C76 1.319(7) . ?
F10 C78 1.313(8) . ?
F11 C78 1.293(10) . ?
F12 C78 1.352(8) . ?
F13 C79 1.366(8) . ?
F14 C79 1.331(8) . ?
F15 C79 1.281(7) . ?
F16 C80 1.341(8) . ?
F17 C80 1.310(8) . ?
F18 C80 1.311(10) . ?
F19 C66 1.323(9) . ?
F20 C66 1.334(7) . ?
F21 C66 1.345(7) . ?
F22 C67 1.304(8) . ?
F23 C67 1.362(8) . ?
F24 C67 1.291(9) . ?
F25 C68 1.330(7) . ?
F26 C68 1.355(8) . ?
F27 C68 1.323(8) . ?
F28 C72 1.300(8) . ?
F29 C72 1.412(8) . ?
F30 C72 1.268(8) . ?
F31 C70 1.275(7) . ?
F32 C70 1.324(7) . ?
F33 C70 1.401(8) . ?
F34 C71 1.284(8) . ?
F35 C71 1.392(9) . ?
F36 C71 1.329(7) . ?
C65 C66 1.547(8) . ?
C65 C67 1.585(10) . ?
C65 C68 1.524(7) . ?
C69 C70 1.539(7) . ?
C69 C71 1.542(8) . ?
C69 C72 1.590(8) . ?
C73 C74 1.524(7) . ?
C73 C75 1.564(7) . ?
C73 C76 1.581(8) . ?
C77 C78 1.565(9) . ?
C77 C79 1.528(7) . ?
C77 C80 1.563(10) . ?
Au2 Ge3 2.3959(4) . ?
Au2 Ge4 2.3969(4) . ?
Ge3 C33 1.937(3) . ?
Ge3 C36 1.936(3) . ?
Ge4 C49 1.928(4) . ?
Ge4 C52 1.941(4) . ?
Si9 C33 1.920(4) . ?
Si9 C37 1.862(5) . ?
Si9 C38 1.869(4) . ?
Si9 C39 1.862(4) . ?
Si10 C33 1.915(4) . ?
Si10 C40 1.862(5) . ?
Si10 C41 1.865(5) . ?
Si10 C42 1.872(5) . ?
Si11 C36 1.920(4) . ?
Si11 C43 1.872(5) . ?
Si11 C44 1.867(4) . ?
Si11 C45 1.871(4) . ?
Si12 C36 1.910(4) . ?
Si12 C46 1.871(5) . ?
Si12 C47 1.869(4) . ?
Si12 C48 1.873(5) . ?
Si13 C49 1.914(4) . ?
Si13 C53 1.870(6) . ?
Si13 C54 1.854(6) . ?
Si13 C55 1.872(5) . ?
Si14 C49 1.916(4) . ?
Si14 C56 1.871(6) . ?
Si14 C57 1.860(6) . ?
Si14 C58 1.857(5) . ?
Si15 C52 1.913(4) . ?
Si15 C59 1.866(5) . ?
Si15 C60 1.869(6) . ?
Si15 C61 1.871(5) . ?
Si16 C52 1.909(4) . ?
Si16 C62 1.872(5) . ?
Si16 C63 1.871(5) . ?
Si16 C64 1.865(5) . ?
C33 C34 1.565(5) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.548(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.570(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.569(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.530(6) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.563(5) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Al2 O5 1.673(3) . ?
Al2 O6 1.709(5) . ?
Al2 O6A 1.708(8) . ?
Al2 O7 1.684(4) . ?
Al2 O7A 1.740(9) . ?
Al2 O8 1.757(5) . ?
Al2 O8A 1.647(8) . ?
O5 C81 1.334(5) . ?
O6 C85 1.394(9) . ?
O6A C85A 1.348(12) . ?
O7 C89 1.378(7) . ?
O7A C89A 1.354(14) . ?
O8 C93 1.379(9) . ?
O8A C93A 1.352(16) . ?
F37 C82 1.331(8) . ?
F38 C82 1.324(6) . ?
F39 C82 1.287(7) . ?
F40 C83 1.257(9) . ?
F41 C83 1.372(9) . ?
F42 C83 1.335(8) . ?
F43 C84 1.336(7) . ?
F44 C84 1.284(6) . ?
F45 C84 1.291(6) . ?
F46 C87 1.24(2) . ?
F46A C87A 1.23(2) . ?
F47 C87 1.310(16) . ?
F47A C87A 1.337(19) . ?
F48 C87 1.52(2) . ?
F48A C87A 1.53(2) . ?
F49 C86 1.344(16) . ?
F49A C86A 1.283(17) . ?
F50 C86 1.304(17) . ?
F50A C86A 1.34(2) . ?
F51 C86 1.384(17) . ?
F51A C86A 1.380(19) . ?
F52 C88 1.270(15) . ?
F52A C88A 1.284(19) . ?
F53 C88 1.364(19) . ?
F53A C88A 1.38(2) . ?
F54 C88 1.341(15) . ?
F54A C88A 1.336(19) . ?
F55 C92 1.324(9) . ?
F55A C92A 1.309(19) . ?
F56 C92 1.326(10) . ?
F56A C92A 1.328(19) . ?
F57 C92 1.327(9) . ?
F57A C92A 1.319(17) . ?
F58 C91 1.298(11) . ?
F58A C91A 1.29(2) . ?
F59 C91 1.359(10) . ?
F59A C91A 1.36(2) . ?
F60 C91 1.336(11) . ?
F60A C91A 1.34(2) . ?
F61 C90 1.327(12) . ?
F61A C90A 1.320(17) . ?
F62 C90 1.326(11) . ?
F62A C90A 1.320(17) . ?
F63 C90 1.331(12) . ?
F63A C90A 1.340(18) . ?
F64 C94 1.255(12) . ?
F64A C94A 1.184(18) . ?
F65 C94 1.398(14) . ?
F65A C94A 1.366(16) . ?
F66 C94 1.274(11) . ?
F66A C94A 1.198(19) . ?
F67 C96 1.317(12) . ?
F67A F69A 1.464(17) . ?
F67A C96A 1.278(17) . ?
F68 C96 1.363(16) . ?
F68A F69A 1.171(15) . ?
F68A C96A 1.331(17) . ?
F69 C96 1.185(13) . ?
F69A C96A 1.269(19) . ?
F70 C95 1.353(13) . ?
F70A C95A 1.364(18) . ?
F71 F72 1.723(13) . ?
F71 C95 1.433(15) . ?
F71A C95A 1.391(16) . ?
F72 C95 1.138(14) . ?
F72A C95A 1.223(19) . ?
C81 C82 1.533(6) . ?
C81 C83 1.543(7) . ?
C81 C84 1.529(6) . ?
C85 C86 1.554(15) . ?
C85 C87 1.521(15) . ?
C85 C88 1.511(15) . ?
C85A C86A 1.57(2) . ?
C85A C87A 1.50(2) . ?
C85A C88A 1.53(2) . ?
C89 C90 1.550(10) . ?
C89 C91 1.559(10) . ?
C89 C92 1.531(10) . ?
C89A C90A 1.559(18) . ?
C89A C91A 1.555(19) . ?
C89A C92A 1.539(19) . ?
C93 C94 1.521(13) . ?
C93 C95 1.557(14) . ?
C93 C96 1.537(14) . ?
C93A C94A 1.55(2) . ?
C93A C95A 1.55(2) . ?
C93A C96A 1.53(2) . ?

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
Ge2 Au1 Ge1 178.169(16) . . ?
C1 Ge1 Au1 131.98(11) . . ?
C1 Ge1 C4 98.29(15) . . ?
C4 Ge1 Au1 129.72(11) . . ?
C5 Si1 C1 110.7(2) . . ?
C6 Si1 C1 110.7(2) . . ?
C6 Si1 C5 105.1(3) . . ?
C7 Si1 C1 110.9(2) . . ?
C7 Si1 C5 110.2(3) . . ?
C7 Si1 C6 109.0(3) . . ?
Ge1 C1 Si2 104.20(17) . . ?
Si1 C1 Ge1 114.62(19) . . ?
Si1 C1 Si2 111.50(19) . . ?
C2 C1 Ge1 101.8(2) . . ?
C2 C1 Si1 113.0(2) . . ?
C2 C1 Si2 111.0(2) . . ?
C17 Ge2 Au1 131.96(11) . . ?
C20 Ge2 Au1 130.20(11) . . ?
C20 Ge2 C17 97.84(16) . . ?
C8 Si2 C1 108.0(2) . . ?
C8 Si2 C9 107.6(3) . . ?
C9 Si2 C1 111.82(18) . . ?
C10 Si2 C1 112.7(2) . . ?
C10 Si2 C8 112.9(3) . . ?
C10 Si2 C9 103.6(2) . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C3 C2 C1 111.9(3) . . ?
C3 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
C11 Si3 C4 110.0(2) . . ?
C12 Si3 C4 109.4(2) . . ?
C12 Si3 C11 106.7(3) . . ?
C12 Si3 C13 112.6(2) . . ?
C13 Si3 C4 111.82(19) . . ?
C13 Si3 C11 106.1(3) . . ?
C2 C3 H3A 109.4 . . ?
C2 C3 H3B 109.4 . . ?
C2 C3 C4 111.4(3) . . ?
H3A C3 H3B 108.0 . . ?
C4 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
C14 Si4 C4 110.88(19) . . ?
C14 Si4 C15 105.5(2) . . ?
C14 Si4 C16 108.3(2) . . ?
C15 Si4 C4 111.5(2) . . ?
C15 Si4 C16 109.3(2) . . ?
C16 Si4 C4 111.15(19) . . ?
Si3 C4 Ge1 104.61(18) . . ?
Si3 C4 Si4 111.94(19) . . ?
C3 C4 Ge1 101.4(2) . . ?
C3 C4 Si3 112.0(2) . . ?
C3 C4 Si4 113.1(3) . . ?
Si4 C4 Ge1 112.98(18) . . ?
C21 Si5 C17 109.9(2) . . ?
C21 Si5 C22 107.4(3) . . ?
C22 Si5 C17 109.9(2) . . ?
C23 Si5 C17 111.6(2) . . ?
C23 Si5 C21 112.5(2) . . ?
C23 Si5 C22 105.5(3) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C24 Si6 C17 111.7(2) . . ?
C24 Si6 C26 104.4(3) . . ?
C25 Si6 C17 111.5(2) . . ?
C25 Si6 C24 109.1(3) . . ?
C25 Si6 C26 108.8(3) . . ?
C26 Si6 C17 111.2(2) . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C27 Si7 C20 110.9(3) . . ?
C27 Si7 C28 108.3(3) . . ?
C27 Si7 C29 104.9(3) . . ?
C28 Si7 C20 110.6(2) . . ?
C29 Si7 C20 111.6(3) . . ?
C29 Si7 C28 110.4(3) . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C30 Si8 C20 111.2(2) . . ?
C30 Si8 C31 106.1(2) . . ?
C30 Si8 C32 112.2(2) . . ?
C31 Si8 C20 110.4(2) . . ?
C32 Si8 C20 110.3(2) . . ?
C32 Si8 C31 106.5(3) . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 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 . . ?
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 . . ?
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 . . ?
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 . . ?
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 . . ?
Si5 C17 Ge2 102.40(18) . . ?
Si6 C17 Ge2 113.7(2) . . ?
Si6 C17 Si5 112.5(2) . . ?
C18 C17 Ge2 101.3(3) . . ?
C18 C17 Si5 112.4(3) . . ?
C18 C17 Si6 113.5(3) . . ?
C17 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 C17 111.9(3) . . ?
C19 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C18 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
C18 C19 C20 111.4(3) . . ?
H19A C19 H19B 108.0 . . ?
C20 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
Si7 C20 Ge2 113.6(2) . . ?
Si7 C20 Si8 110.98(19) . . ?
Si8 C20 Ge2 102.69(17) . . ?
C19 C20 Ge2 102.0(2) . . ?
C19 C20 Si7 113.6(3) . . ?
C19 C20 Si8 113.2(3) . . ?
Si5 C21 H21A 109.5 . . ?
Si5 C21 H21B 109.5 . . ?
Si5 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si5 C22 H22A 109.5 . . ?
Si5 C22 H22B 109.5 . . ?
Si5 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si5 C23 H23A 109.5 . . ?
Si5 C23 H23B 109.5 . . ?
Si5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si6 C24 H24A 109.5 . . ?
Si6 C24 H24B 109.5 . . ?
Si6 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si6 C25 H25A 109.5 . . ?
Si6 C25 H25B 109.5 . . ?
Si6 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si6 C26 H26A 109.5 . . ?
Si6 C26 H26B 109.5 . . ?
Si6 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si7 C27 H27A 109.5 . . ?
Si7 C27 H27B 109.5 . . ?
Si7 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si7 C28 H28A 109.5 . . ?
Si7 C28 H28B 109.5 . . ?
Si7 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si7 C29 H29A 109.5 . . ?
Si7 C29 H29B 109.5 . . ?
Si7 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si8 C30 H30A 109.5 . . ?
Si8 C30 H30B 109.5 . . ?
Si8 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si8 C31 H31A 109.5 . . ?
Si8 C31 H31B 109.5 . . ?
Si8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si8 C32 H32A 109.5 . . ?
Si8 C32 H32B 109.5 . . ?
Si8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O1 Al1 O3 107.55(15) . . ?
O1 Al1 O4 109.25(15) . . ?
O2 Al1 O1 112.00(17) . . ?
O2 Al1 O3 106.23(17) . . ?
O2 Al1 O4 109.19(17) . . ?
O4 Al1 O3 112.62(16) . . ?
C73 O1 Al1 150.9(3) . . ?
C77 O2 Al1 151.7(3) . . ?
C65 O3 Al1 152.5(3) . . ?
C69 O4 Al1 152.2(3) . . ?
O3 C65 C66 110.1(4) . . ?
O3 C65 C67 108.0(5) . . ?
O3 C65 C68 112.3(4) . . ?
C66 C65 C67 106.6(5) . . ?
C68 C65 C66 109.3(5) . . ?
C68 C65 C67 110.4(5) . . ?
F19 C66 F20 108.4(6) . . ?
F19 C66 F21 109.0(6) . . ?
F19 C66 C65 110.1(5) . . ?
F20 C66 F21 106.9(5) . . ?
F20 C66 C65 110.4(5) . . ?
F21 C66 C65 112.0(6) . . ?
F22 C67 F23 109.8(6) . . ?
F22 C67 C65 111.3(6) . . ?
F23 C67 C65 108.5(7) . . ?
F24 C67 F22 109.3(9) . . ?
F24 C67 F23 107.4(6) . . ?
F24 C67 C65 110.4(5) . . ?
F25 C68 F26 110.0(5) . . ?
F25 C68 C65 114.0(5) . . ?
F26 C68 C65 109.8(6) . . ?
F27 C68 F25 104.8(6) . . ?
F27 C68 F26 108.2(5) . . ?
F27 C68 C65 109.8(5) . . ?
O4 C69 C70 108.9(4) . . ?
O4 C69 C71 111.3(4) . . ?
O4 C69 C72 109.5(4) . . ?
C70 C69 C71 111.1(5) . . ?
C70 C69 C72 107.5(5) . . ?
C71 C69 C72 108.4(5) . . ?
F31 C70 F32 111.3(6) . . ?
F31 C70 F33 106.3(6) . . ?
F31 C70 C69 114.2(5) . . ?
F32 C70 F33 104.4(5) . . ?
F32 C70 C69 113.9(5) . . ?
F33 C70 C69 105.7(5) . . ?
F34 C71 F35 108.0(6) . . ?
F34 C71 F36 112.0(7) . . ?
F34 C71 C69 112.0(5) . . ?
F35 C71 C69 107.2(6) . . ?
F36 C71 F35 105.2(6) . . ?
F36 C71 C69 111.9(5) . . ?
F28 C72 F29 107.2(6) . . ?
F28 C72 C69 110.8(5) . . ?
F29 C72 C69 105.2(6) . . ?
F30 C72 F28 111.6(7) . . ?
F30 C72 F29 107.0(5) . . ?
F30 C72 C69 114.4(6) . . ?
O1 C73 C74 108.5(4) . . ?
O1 C73 C75 112.1(4) . . ?
O1 C73 C76 107.9(4) . . ?
C74 C73 C75 111.9(5) . . ?
C74 C73 C76 108.7(4) . . ?
C75 C73 C76 107.6(5) . . ?
F4 C74 C73 108.8(5) . . ?
F5 C74 F4 109.0(6) . . ?
F5 C74 F6 108.3(6) . . ?
F5 C74 C73 113.0(5) . . ?
F6 C74 F4 103.9(6) . . ?
F6 C74 C73 113.4(6) . . ?
F1 C75 F2 101.7(6) . . ?
F1 C75 C73 110.7(5) . . ?
F2 C75 C73 111.0(5) . . ?
F3 C75 F1 110.7(6) . . ?
F3 C75 F2 107.3(6) . . ?
F3 C75 C73 114.7(5) . . ?
F7 C76 C73 110.3(6) . . ?
F8 C76 F7 107.1(5) . . ?
F8 C76 F9 106.6(6) . . ?
F8 C76 C73 112.7(5) . . ?
F9 C76 F7 107.8(5) . . ?
F9 C76 C73 112.0(4) . . ?
O2 C77 C78 108.7(5) . . ?
O2 C77 C79 107.6(4) . . ?
O2 C77 C80 110.1(4) . . ?
C79 C77 C78 108.5(5) . . ?
C79 C77 C80 108.7(5) . . ?
C80 C77 C78 113.0(6) . . ?
F10 C78 F12 107.8(6) . . ?
F10 C78 C77 113.3(7) . . ?
F11 C78 F10 106.9(8) . . ?
F11 C78 F12 107.6(8) . . ?
F11 C78 C77 112.0(5) . . ?
F12 C78 C77 109.1(6) . . ?
F13 C79 C77 110.0(5) . . ?
F14 C79 F13 105.7(5) . . ?
F14 C79 C77 111.8(5) . . ?
F15 C79 F13 108.7(6) . . ?
F15 C79 F14 106.8(6) . . ?
F15 C79 C77 113.5(5) . . ?
F16 C80 C77 108.4(7) . . ?
F17 C80 F16 106.4(7) . . ?
F17 C80 F18 108.4(8) . . ?
F17 C80 C77 109.0(6) . . ?
F18 C80 F16 112.6(8) . . ?
F18 C80 C77 111.7(6) . . ?
Ge3 Au2 Ge4 177.042(16) . . ?
C33 Ge3 Au2 132.56(10) . . ?
C36 Ge3 Au2 129.58(10) . . ?
C36 Ge3 C33 97.83(14) . . ?
C49 Ge4 Au2 128.18(11) . . ?
C49 Ge4 C52 97.89(16) . . ?
C52 Ge4 Au2 133.88(11) . . ?
C37 Si9 C33 112.2(2) . . ?
C37 Si9 C38 104.1(2) . . ?
C38 Si9 C33 111.03(18) . . ?
C39 Si9 C33 110.89(18) . . ?
C39 Si9 C37 108.2(2) . . ?
C39 Si9 C38 110.2(2) . . ?
C40 Si10 C33 111.50(19) . . ?
C40 Si10 C41 111.4(2) . . ?
C40 Si10 C42 106.5(2) . . ?
C41 Si10 C33 111.4(2) . . ?
C41 Si10 C42 107.4(2) . . ?
C42 Si10 C33 108.45(19) . . ?
C43 Si11 C36 109.80(19) . . ?
C44 Si11 C36 109.85(19) . . ?
C44 Si11 C43 107.0(2) . . ?
C44 Si11 C45 112.3(2) . . ?
C45 Si11 C36 111.8(2) . . ?
C45 Si11 C43 105.9(2) . . ?
C46 Si12 C36 111.9(2) . . ?
C46 Si12 C48 104.2(2) . . ?
C47 Si12 C36 110.60(19) . . ?
C47 Si12 C46 110.0(2) . . ?
C47 Si12 C48 108.6(2) . . ?
C48 Si12 C36 111.21(17) . . ?
C53 Si13 C49 108.9(2) . . ?
C53 Si13 C55 105.2(3) . . ?
C54 Si13 C49 110.8(3) . . ?
C54 Si13 C53 108.1(3) . . ?
C54 Si13 C55 111.2(3) . . ?
C55 Si13 C49 112.3(2) . . ?
C56 Si14 C49 111.0(2) . . ?
C57 Si14 C49 111.0(2) . . ?
C57 Si14 C56 105.5(3) . . ?
C58 Si14 C49 110.75(19) . . ?
C58 Si14 C56 110.8(3) . . ?
C58 Si14 C57 107.6(3) . . ?
C59 Si15 C52 110.4(2) . . ?
C59 Si15 C60 111.7(3) . . ?
C59 Si15 C61 107.9(3) . . ?
C60 Si15 C52 111.6(2) . . ?
C60 Si15 C61 105.8(3) . . ?
C61 Si15 C52 109.2(2) . . ?
C62 Si16 C52 110.8(2) . . ?
C63 Si16 C52 111.1(2) . . ?
C63 Si16 C62 110.1(3) . . ?
C64 Si16 C52 111.6(2) . . ?
C64 Si16 C62 108.7(3) . . ?
C64 Si16 C63 104.4(3) . . ?
Si9 C33 Ge3 113.93(18) . . ?
Si10 C33 Ge3 104.22(17) . . ?
Si10 C33 Si9 111.92(18) . . ?
C34 C33 Ge3 101.6(2) . . ?
C34 C33 Si9 112.1(2) . . ?
C34 C33 Si10 112.4(2) . . ?
C33 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C35 C34 C33 111.3(3) . . ?
C35 C34 H34A 109.4 . . ?
C35 C34 H34B 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
C34 C35 C36 111.0(3) . . ?
H35A C35 H35B 108.0 . . ?
C36 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
Si11 C36 Ge3 103.82(17) . . ?
Si12 C36 Ge3 114.45(18) . . ?
Si12 C36 Si11 111.52(18) . . ?
C35 C36 Ge3 101.8(2) . . ?
C35 C36 Si11 112.1(2) . . ?
C35 C36 Si12 112.5(2) . . ?
Si9 C37 H37A 109.5 . . ?
Si9 C37 H37B 109.5 . . ?
Si9 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si9 C38 H38A 109.5 . . ?
Si9 C38 H38B 109.5 . . ?
Si9 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si9 C39 H39A 109.5 . . ?
Si9 C39 H39B 109.5 . . ?
Si9 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si10 C40 H40A 109.5 . . ?
Si10 C40 H40B 109.5 . . ?
Si10 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si10 C41 H41A 109.5 . . ?
Si10 C41 H41B 109.5 . . ?
Si10 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si10 C42 H42A 109.5 . . ?
Si10 C42 H42B 109.5 . . ?
Si10 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si11 C43 H43A 109.5 . . ?
Si11 C43 H43B 109.5 . . ?
Si11 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si11 C44 H44A 109.5 . . ?
Si11 C44 H44B 109.5 . . ?
Si11 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si11 C45 H45A 109.5 . . ?
Si11 C45 H45B 109.5 . . ?
Si11 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si12 C46 H46A 109.5 . . ?
Si12 C46 H46B 109.5 . . ?
Si12 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si12 C47 H47A 109.5 . . ?
Si12 C47 H47B 109.5 . . ?
Si12 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si12 C48 H48A 109.5 . . ?
Si12 C48 H48B 109.5 . . ?
Si12 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Si13 C49 Ge4 103.73(19) . . ?
Si13 C49 Si14 112.00(19) . . ?
Si14 C49 Ge4 114.2(2) . . ?
C50 C49 Ge4 101.8(2) . . ?
C50 C49 Si13 112.1(3) . . ?
C50 C49 Si14 112.3(3) . . ?
C49 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
H50A C50 H50B 108.0 . . ?
C51 C50 C49 111.5(3) . . ?
C51 C50 H50A 109.3 . . ?
C51 C50 H50B 109.3 . . ?
C50 C51 H51A 109.3 . . ?
C50 C51 H51B 109.3 . . ?
C50 C51 C52 111.7(3) . . ?
H51A C51 H51B 107.9 . . ?
C52 C51 H51A 109.3 . . ?
C52 C51 H51B 109.3 . . ?
Si15 C52 Ge4 103.84(17) . . ?
Si16 C52 Ge4 114.78(18) . . ?
Si16 C52 Si15 112.63(19) . . ?
C51 C52 Ge4 100.9(2) . . ?
C51 C52 Si15 111.5(2) . . ?
C51 C52 Si16 112.3(2) . . ?
Si13 C53 H53A 109.5 . . ?
Si13 C53 H53B 109.5 . . ?
Si13 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
Si13 C54 H54A 109.5 . . ?
Si13 C54 H54B 109.5 . . ?
Si13 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Si13 C55 H55A 109.5 . . ?
Si13 C55 H55B 109.5 . . ?
Si13 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
Si14 C56 H56A 109.5 . . ?
Si14 C56 H56B 109.5 . . ?
Si14 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Si14 C57 H57A 109.5 . . ?
Si14 C57 H57B 109.5 . . ?
Si14 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si14 C58 H58A 109.5 . . ?
Si14 C58 H58B 109.5 . . ?
Si14 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Si15 C59 H59A 109.5 . . ?
Si15 C59 H59B 109.5 . . ?
Si15 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Si15 C60 H60A 109.5 . . ?
Si15 C60 H60B 109.5 . . ?
Si15 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si15 C61 H61A 109.5 . . ?
Si15 C61 H61B 109.5 . . ?
Si15 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si16 C62 H62A 109.5 . . ?
Si16 C62 H62B 109.5 . . ?
Si16 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si16 C63 H63A 109.5 . . ?
Si16 C63 H63B 109.5 . . ?
Si16 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si16 C64 H64A 109.5 . . ?
Si16 C64 H64B 109.5 . . ?
Si16 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O5 Al2 O6 111.6(3) . . ?
O5 Al2 O6A 107.9(4) . . ?
O5 Al2 O7 112.9(3) . . ?
O5 Al2 O7A 89.3(5) . . ?
O5 Al2 O8 103.1(2) . . ?
O6 Al2 O8 104.3(3) . . ?
O6A Al2 O7A 108.1(6) . . ?
O7 Al2 O6 112.2(3) . . ?
O7 Al2 O8 112.2(2) . . ?
O8A Al2 O5 129.3(5) . . ?
O8A Al2 O6A 107.4(6) . . ?
O8A Al2 O7A 112.7(6) . . ?
C81 O5 Al2 161.8(4) . . ?
C85 O6 Al2 146.8(8) . . ?
C85A O6A Al2 156.0(13) . . ?
C89 O7 Al2 151.4(6) . . ?
C89A O7A Al2 154.5(12) . . ?
C93 O8 Al2 147.0(7) . . ?
C93A O8A Al2 152.0(12) . . ?
C96A F67A F69A 54.6(9) . . ?
F69A F68A C96A 60.5(10) . . ?
F68A F69A F67A 118.4(15) . . ?
F68A F69A C96A 66.0(11) . . ?
C96A F69A F67A 55.2(9) . . ?
C95 F71 F72 41.0(7) . . ?
C95 F72 F71 55.7(8) . . ?
O5 C81 C82 110.8(4) . . ?
O5 C81 C83 106.8(5) . . ?
O5 C81 C84 110.6(4) . . ?
C82 C81 C83 108.8(4) . . ?
C84 C81 C82 111.5(4) . . ?
C84 C81 C83 108.3(4) . . ?
F37 C82 C81 108.9(5) . . ?
F38 C82 F37 108.8(5) . . ?
F38 C82 C81 111.5(4) . . ?
F39 C82 F37 107.2(6) . . ?
F39 C82 F38 106.3(5) . . ?
F39 C82 C81 114.1(5) . . ?
F40 C83 F41 109.4(6) . . ?
F40 C83 F42 106.8(7) . . ?
F40 C83 C81 112.6(6) . . ?
F41 C83 C81 109.8(6) . . ?
F42 C83 F41 108.9(6) . . ?
F42 C83 C81 109.2(5) . . ?
F43 C84 C81 110.7(4) . . ?
F44 C84 F43 103.7(5) . . ?
F44 C84 F45 110.1(5) . . ?
F44 C84 C81 114.2(4) . . ?
F45 C84 F43 104.0(5) . . ?
F45 C84 C81 113.2(4) . . ?
O6 C85 C86 99.3(10) . . ?
O6 C85 C87 110.8(11) . . ?
O6 C85 C88 114.0(10) . . ?
C87 C85 C86 108.6(12) . . ?
C88 C85 C86 112.4(12) . . ?
C88 C85 C87 111.2(12) . . ?
O6A C85A C86A 95.9(14) . . ?
O6A C85A C87A 117.7(15) . . ?
O6A C85A C88A 113.7(15) . . ?
C87A C85A C86A 111.2(15) . . ?
C87A C85A C88A 109.9(14) . . ?
C88A C85A C86A 107.3(15) . . ?
F49 C86 F51 122.4(15) . . ?
F49 C86 C85 110.0(13) . . ?
F50 C86 F49 100.2(12) . . ?
F50 C86 F51 120.3(15) . . ?
F50 C86 C85 111.4(13) . . ?
F51 C86 C85 92.5(11) . . ?
F49A C86A F50A 93.2(15) . . ?
F49A C86A F51A 121.8(18) . . ?
F49A C86A C85A 119.3(15) . . ?
F50A C86A F51A 99.2(16) . . ?
F50A C86A C85A 107.4(15) . . ?
F51A C86A C85A 110.4(15) . . ?
F46 C87 F47 112.1(16) . . ?
F46 C87 F48 104.9(15) . . ?
F46 C87 C85 114.4(16) . . ?
F47 C87 F48 108.2(14) . . ?
F47 C87 C85 114.7(12) . . ?
C85 C87 F48 101.3(11) . . ?
F46A C87A F47A 105.4(17) . . ?
F46A C87A F48A 101.5(17) . . ?
F46A C87A C85A 120.0(19) . . ?
F47A C87A F48A 95.5(15) . . ?
F47A C87A C85A 111.6(15) . . ?
C85A C87A F48A 119.5(15) . . ?
F52 C88 F53 100.7(13) . . ?
F52 C88 F54 116.2(15) . . ?
F52 C88 C85 114.9(11) . . ?
F53 C88 C85 111.7(12) . . ?
F54 C88 F53 103.7(11) . . ?
F54 C88 C85 108.8(10) . . ?
F52A C88A F53A 106(2) . . ?
F52A C88A F54A 112.3(18) . . ?
F52A C88A C85A 113.3(16) . . ?
F53A C88A C85A 109.4(18) . . ?
F54A C88A F53A 107.2(18) . . ?
F54A C88A C85A 108.0(15) . . ?
O7 C89 C90 109.2(7) . . ?
O7 C89 C91 104.6(7) . . ?
O7 C89 C92 112.7(6) . . ?
C90 C89 C91 109.4(7) . . ?
C92 C89 C90 109.6(8) . . ?
C92 C89 C91 111.3(7) . . ?
O7A C89A C90A 109.4(13) . . ?
O7A C89A C91A 109.3(15) . . ?
O7A C89A C92A 111.4(13) . . ?
C91A C89A C90A 109.1(14) . . ?
C92A C89A C90A 108.8(15) . . ?
C92A C89A C91A 108.8(15) . . ?
F61 C90 F63 107.8(8) . . ?
F61 C90 C89 111.9(8) . . ?
F62 C90 F61 108.2(9) . . ?
F62 C90 F63 108.0(9) . . ?
F62 C90 C89 111.1(8) . . ?
F63 C90 C89 109.7(8) . . ?
F61A C90A F62A 106.8(15) . . ?
F61A C90A F63A 108.3(15) . . ?
F61A C90A C89A 113.4(14) . . ?
F62A C90A F63A 106.1(15) . . ?
F62A C90A C89A 111.2(15) . . ?
F63A C90A C89A 110.8(13) . . ?
F58 C91 F59 108.5(8) . . ?
F58 C91 F60 108.3(8) . . ?
F58 C91 C89 112.8(8) . . ?
F59 C91 C89 109.8(7) . . ?
F60 C91 F59 106.2(8) . . ?
F60 C91 C89 111.0(7) . . ?
F58A C91A F59A 111(2) . . ?
F58A C91A F60A 104.8(18) . . ?
F58A C91A C89A 116.2(18) . . ?
F59A C91A C89A 109.0(17) . . ?
F60A C91A F59A 102.3(18) . . ?
F60A C91A C89A 112.2(16) . . ?
F55 C92 F56 106.0(6) . . ?
F55 C92 F57 109.3(7) . . ?
F55 C92 C89 110.3(7) . . ?
F56 C92 F57 107.6(7) . . ?
F56 C92 C89 111.3(7) . . ?
F57 C92 C89 112.2(7) . . ?
F55A C92A F56A 104.9(18) . . ?
F55A C92A F57A 109.6(17) . . ?
F55A C92A C89A 109.6(15) . . ?
F56A C92A C89A 107.3(16) . . ?
F57A C92A F56A 107.7(17) . . ?
F57A C92A C89A 117.0(15) . . ?
O8 C93 C94 113.4(9) . . ?
O8 C93 C95 104.1(9) . . ?
O8 C93 C96 110.4(8) . . ?
C94 C93 C95 108.5(9) . . ?
C94 C93 C96 108.9(10) . . ?
C96 C93 C95 111.4(11) . . ?
O8A C93A C94A 111.7(15) . . ?
O8A C93A C95A 102.3(15) . . ?
O8A C93A C96A 116.0(14) . . ?
C94A C93A C95A 106.3(13) . . ?
C96A C93A C94A 107.3(15) . . ?
C96A C93A C95A 113.0(14) . . ?
F64 C94 F65 102.2(9) . . ?
F64 C94 F66 115.5(9) . . ?
F64 C94 C93 117.7(8) . . ?
F65 C94 C93 107.4(9) . . ?
F66 C94 F65 99.4(10) . . ?
F66 C94 C93 112.0(9) . . ?
F64A C94A F65A 107.2(15) . . ?
F64A C94A F66A 101.4(15) . . ?
F64A C94A C93A 117.5(14) . . ?
F65A C94A C93A 111.2(13) . . ?
F66A C94A F65A 104.5(15) . . ?
F66A C94A C93A 113.9(14) . . ?
F70 C95 F71 101.3(9) . . ?
F70 C95 C93 111.0(9) . . ?
F71 C95 C93 103.2(10) . . ?
F72 C95 F70 128.0(12) . . ?
F72 C95 F71 83.3(10) . . ?
F72 C95 C93 118.3(11) . . ?
F70A C95A F71A 104.9(15) . . ?
F70A C95A C93A 112.1(13) . . ?
F71A C95A C93A 104.6(14) . . ?
F72A C95A F70A 113.3(14) . . ?
F72A C95A F71A 103.0(14) . . ?
F72A C95A C93A 117.2(15) . . ?
F67 C96 F68 106.2(10) . . ?
F67 C96 C93 112.8(9) . . ?
F68 C96 C93 105.9(10) . . ?
F69 C96 F67 115.4(10) . . ?
F69 C96 F68 95.0(12) . . ?
F69 C96 C93 118.5(10) . . ?
F67A C96A F68A 120.8(15) . . ?
F67A C96A C93A 115.4(14) . . ?
F68A C96A C93A 108.7(13) . . ?
F69A C96A F67A 70.2(12) . . ?
F69A C96A F68A 53.5(10) . . ?
F69A C96A C93A 121.2(16) . . ?

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
Ge1 C1 C2 C3 30.6(3) . . . . ?
Si1 C1 C2 C3 -92.9(3) . . . . ?
C1 C2 C3 C4 -44.9(4) . . . . ?
Ge2 C17 C18 C19 -32.9(4) . . . . ?
Si2 C1 C2 C3 141.0(3) . . . . ?
C2 C3 C4 Ge1 33.0(3) . . . . ?
C2 C3 C4 Si3 144.1(3) . . . . ?
C2 C3 C4 Si4 -88.3(3) . . . . ?
Si5 C17 C18 C19 -141.5(3) . . . . ?
Si6 C17 C18 C19 89.4(4) . . . . ?
C17 C18 C19 C20 45.6(5) . . . . ?
C18 C19 C20 Ge2 -31.6(4) . . . . ?
C18 C19 C20 Si7 91.1(4) . . . . ?
C18 C19 C20 Si8 -141.1(3) . . . . ?
Al1 O1 C73 C74 148.6(6) . . . . ?
Al1 O1 C73 C75 24.5(9) . . . . ?
Al1 O1 C73 C76 -93.8(7) . . . . ?
Al1 O2 C77 C78 -70.6(8) . . . . ?
Al1 O2 C77 C79 172.0(6) . . . . ?
Al1 O2 C77 C80 53.7(9) . . . . ?
Al1 O3 C65 C66 60.4(8) . . . . ?
Al1 O3 C65 C67 176.4(5) . . . . ?
Al1 O3 C65 C68 -61.7(8) . . . . ?
Al1 O4 C69 C70 178.6(6) . . . . ?
Al1 O4 C69 C71 55.8(9) . . . . ?
Al1 O4 C69 C72 -64.0(8) . . . . ?
O1 Al1 O2 C77 -79.3(7) . . . . ?
O1 Al1 O3 C65 -169.4(6) . . . . ?
O1 Al1 O4 C69 -24.3(7) . . . . ?
O1 C73 C74 F4 -74.3(6) . . . . ?
O1 C73 C74 F5 46.9(7) . . . . ?
O1 C73 C74 F6 170.6(5) . . . . ?
O1 C73 C75 F1 35.3(8) . . . . ?
O1 C73 C75 F2 -76.9(6) . . . . ?
O1 C73 C75 F3 161.3(6) . . . . ?
O1 C73 C76 F7 170.1(5) . . . . ?
O1 C73 C76 F8 -70.2(6) . . . . ?
O1 C73 C76 F9 50.0(6) . . . . ?
O2 Al1 O1 C73 -83.8(7) . . . . ?
O2 Al1 O3 C65 -49.3(7) . . . . ?
O2 Al1 O4 C69 -147.1(7) . . . . ?
O2 C77 C78 F10 -163.2(6) . . . . ?
O2 C77 C78 F11 -42.2(7) . . . . ?
O2 C77 C78 F12 76.7(8) . . . . ?
O2 C77 C79 F13 -169.7(5) . . . . ?
O2 C77 C79 F14 73.2(6) . . . . ?
O2 C77 C79 F15 -47.7(7) . . . . ?
O2 C77 C80 F16 -162.9(6) . . . . ?
O2 C77 C80 F17 -47.5(8) . . . . ?
O2 C77 C80 F18 72.3(7) . . . . ?
O3 Al1 O1 C73 32.6(7) . . . . ?
O3 Al1 O2 C77 163.6(7) . . . . ?
O3 Al1 O4 C69 95.1(7) . . . . ?
O3 C65 C66 F19 -78.6(5) . . . . ?
O3 C65 C66 F20 41.0(7) . . . . ?
O3 C65 C66 F21 159.9(5) . . . . ?
O3 C65 C67 F22 -75.4(7) . . . . ?
O3 C65 C67 F23 163.7(5) . . . . ?
O3 C65 C67 F24 46.2(7) . . . . ?
O3 C65 C68 F25 161.3(6) . . . . ?
O3 C65 C68 F26 -74.8(6) . . . . ?
O3 C65 C68 F27 44.1(7) . . . . ?
O4 Al1 O1 C73 155.1(6) . . . . ?
O4 Al1 O2 C77 41.9(8) . . . . ?
O4 Al1 O3 C65 70.2(7) . . . . ?
O4 C69 C70 F31 34.5(8) . . . . ?
O4 C69 C70 F32 164.0(5) . . . . ?
O4 C69 C70 F33 -81.9(5) . . . . ?
O4 C69 C71 F34 37.2(8) . . . . ?
O4 C69 C71 F35 -81.2(6) . . . . ?
O4 C69 C71 F36 164.0(6) . . . . ?
O4 C69 C72 F28 37.6(7) . . . . ?
O4 C69 C72 F29 -78.0(5) . . . . ?
O4 C69 C72 F30 164.8(5) . . . . ?
C66 C65 C67 F22 42.9(8) . . . . ?
C66 C65 C67 F23 -78.1(6) . . . . ?
C66 C65 C67 F24 164.5(5) . . . . ?
C66 C65 C68 F25 38.9(8) . . . . ?
C66 C65 C68 F26 162.8(5) . . . . ?
C66 C65 C68 F27 -78.3(6) . . . . ?
C67 C65 C66 F19 164.5(5) . . . . ?
C67 C65 C66 F20 -75.9(6) . . . . ?
C67 C65 C66 F21 43.1(7) . . . . ?
C67 C65 C68 F25 -78.1(8) . . . . ?
C67 C65 C68 F26 45.8(7) . . . . ?
C67 C65 C68 F27 164.7(5) . . . . ?
C68 C65 C66 F19 45.1(6) . . . . ?
C68 C65 C66 F20 164.7(5) . . . . ?
C68 C65 C66 F21 -76.3(7) . . . . ?
C68 C65 C67 F22 161.5(6) . . . . ?
C68 C65 C67 F23 40.6(7) . . . . ?
C68 C65 C67 F24 -76.9(7) . . . . ?
C70 C69 C71 F34 -84.4(7) . . . . ?
C70 C69 C71 F35 157.2(5) . . . . ?
C70 C69 C71 F36 42.4(8) . . . . ?
C70 C69 C72 F28 155.8(6) . . . . ?
C70 C69 C72 F29 40.2(6) . . . . ?
C70 C69 C72 F30 -77.0(7) . . . . ?
C71 C69 C70 F31 157.5(6) . . . . ?
C71 C69 C70 F32 -73.0(7) . . . . ?
C71 C69 C70 F33 41.0(6) . . . . ?
C71 C69 C72 F28 -84.0(7) . . . . ?
C71 C69 C72 F29 160.4(5) . . . . ?
C71 C69 C72 F30 43.2(7) . . . . ?
C72 C69 C70 F31 -84.0(7) . . . . ?
C72 C69 C70 F32 45.5(7) . . . . ?
C72 C69 C70 F33 159.5(5) . . . . ?
C72 C69 C71 F34 157.6(6) . . . . ?
C72 C69 C71 F35 39.3(6) . . . . ?
C72 C69 C71 F36 -75.6(7) . . . . ?
C74 C73 C75 F1 -86.9(7) . . . . ?
C74 C73 C75 F2 161.0(5) . . . . ?
C74 C73 C75 F3 39.1(8) . . . . ?
C74 C73 C76 F7 -72.5(6) . . . . ?
C74 C73 C76 F8 47.2(7) . . . . ?
C74 C73 C76 F9 167.4(5) . . . . ?
C75 C73 C74 F4 49.8(7) . . . . ?
C75 C73 C74 F5 171.1(5) . . . . ?
C75 C73 C74 F6 -65.2(7) . . . . ?
C75 C73 C76 F7 48.8(6) . . . . ?
C75 C73 C76 F8 168.5(6) . . . . ?
C75 C73 C76 F9 -71.2(6) . . . . ?
C76 C73 C74 F4 168.6(5) . . . . ?
C76 C73 C74 F5 -70.2(6) . . . . ?
C76 C73 C74 F6 53.5(7) . . . . ?
C76 C73 C75 F1 153.8(6) . . . . ?
C76 C73 C75 F2 41.7(6) . . . . ?
C76 C73 C75 F3 -80.2(7) . . . . ?
C78 C77 C79 F13 72.8(7) . . . . ?
C78 C77 C79 F14 -44.3(7) . . . . ?
C78 C77 C79 F15 -165.2(6) . . . . ?
C78 C77 C80 F16 -41.1(8) . . . . ?
C78 C77 C80 F17 74.3(7) . . . . ?
C78 C77 C80 F18 -165.9(6) . . . . ?
C79 C77 C78 F10 -46.5(9) . . . . ?
C79 C77 C78 F11 74.5(7) . . . . ?
C79 C77 C78 F12 -166.5(6) . . . . ?
C79 C77 C80 F16 79.4(8) . . . . ?
C79 C77 C80 F17 -165.1(6) . . . . ?
C79 C77 C80 F18 -45.3(7) . . . . ?
C80 C77 C78 F10 74.2(8) . . . . ?
C80 C77 C78 F11 -164.8(6) . . . . ?
C80 C77 C78 F12 -45.8(8) . . . . ?
C80 C77 C79 F13 -50.4(7) . . . . ?
C80 C77 C79 F14 -167.6(5) . . . . ?
C80 C77 C79 F15 71.6(7) . . . . ?
Ge3 C33 C34 C35 33.5(3) . . . . ?
Ge4 C49 C50 C51 31.2(4) . . . . ?
Si9 C33 C34 C35 -88.5(3) . . . . ?
Si10 C33 C34 C35 144.3(3) . . . . ?
Si13 C49 C50 C51 141.5(3) . . . . ?
Si14 C49 C50 C51 -91.4(3) . . . . ?
C33 C34 C35 C36 -46.5(4) . . . . ?
C34 C35 C36 Ge3 32.5(3) . . . . ?
C34 C35 C36 Si11 142.9(3) . . . . ?
C34 C35 C36 Si12 -90.5(3) . . . . ?
C49 C50 C51 C52 -46.4(4) . . . . ?
C50 C51 C52 Ge4 34.4(3) . . . . ?
C50 C51 C52 Si15 144.1(3) . . . . ?
C50 C51 C52 Si16 -88.4(3) . . . . ?
Al2 O5 C81 C82 56.4(12) . . . . ?
Al2 O5 C81 C83 174.7(10) . . . . ?
Al2 O5 C81 C84 -67.7(12) . . . . ?
Al2 O6 C85 C86 163.2(10) . . . . ?
Al2 O6 C85 C87 -82.8(18) . . . . ?
Al2 O6 C85 C88 44(2) . . . . ?
Al2 O6A C85A C86A -171(2) . . . . ?
Al2 O6A C85A C87A -53(4) . . . . ?
Al2 O6A C85A C88A 78(3) . . . . ?
Al2 O7 C89 C90 87.6(11) . . . . ?
Al2 O7 C89 C91 -155.4(8) . . . . ?
Al2 O7 C89 C92 -34.4(14) . . . . ?
Al2 O7A C89A C90A 162(2) . . . . ?
Al2 O7A C89A C91A -78(3) . . . . ?
Al2 O7A C89A C92A 42(4) . . . . ?
Al2 O8 C93 C94 -46.7(17) . . . . ?
Al2 O8 C93 C95 -164.4(9) . . . . ?
Al2 O8 C93 C96 75.9(15) . . . . ?
Al2 O8A C93A C94A -95(3) . . . . ?
Al2 O8A C93A C95A 151.8(19) . . . . ?
Al2 O8A C93A C96A 28(4) . . . . ?
O5 Al2 O6 C85 -82.8(14) . . . . ?
O5 Al2 O6A C85A 96(3) . . . . ?
O5 Al2 O7 C89 -26.0(11) . . . . ?
O5 Al2 O7A C89A 146(3) . . . . ?
O5 Al2 O8 C93 -165.1(12) . . . . ?
O5 Al2 O8A C93A 28(3) . . . . ?
O5 C81 C82 F37 -46.9(6) . . . . ?
O5 C81 C82 F38 73.1(6) . . . . ?
O5 C81 C82 F39 -166.6(5) . . . . ?
O5 C81 C83 F40 -44.3(7) . . . . ?
O5 C81 C83 F41 -166.5(5) . . . . ?
O5 C81 C83 F42 74.3(7) . . . . ?
O5 C81 C84 F43 79.2(5) . . . . ?
O5 C81 C84 F44 -164.3(5) . . . . ?
O5 C81 C84 F45 -37.1(6) . . . . ?
O6 Al2 O5 C81 -85.8(12) . . . . ?
O6 Al2 O7 C89 -153.1(10) . . . . ?
O6 Al2 O8 C93 -48.4(12) . . . . ?
O6 C85 C86 F49 82.7(13) . . . . ?
O6 C85 C86 F50 -167.1(12) . . . . ?
O6 C85 C86 F51 -43.2(13) . . . . ?
O6 C85 C87 F46 -29(2) . . . . ?
O6 C85 C87 F47 -160.9(15) . . . . ?
O6 C85 C87 F48 82.9(13) . . . . ?
O6 C85 C88 F52 -173.5(14) . . . . ?
O6 C85 C88 F53 72.6(16) . . . . ?
O6 C85 C88 F54 -41.3(16) . . . . ?
O6A Al2 O5 C81 -118.4(12) . . . . ?
O6A Al2 O7A C89A 38(3) . . . . ?
O6A Al2 O8A C93A 160(2) . . . . ?
O6A C85A C86A F49A 57(2) . . . . ?
O6A C85A C86A F50A 160.5(15) . . . . ?
O6A C85A C86A F51A -92.2(17) . . . . ?
O6A C85A C87A F46A -53(3) . . . . ?
O6A C85A C87A F47A -176.9(17) . . . . ?
O6A C85A C87A F48A 73(2) . . . . ?
O6A C85A C88A F52A 154.8(19) . . . . ?
O6A C85A C88A F53A 36(2) . . . . ?
O6A C85A C88A F54A -80(2) . . . . ?
O7 Al2 O5 C81 146.8(11) . . . . ?
O7 Al2 O6 C85 44.9(15) . . . . ?
O7 Al2 O8 C93 73.2(12) . . . . ?
O7 C89 C90 F61 -167.3(8) . . . . ?
O7 C89 C90 F62 71.7(10) . . . . ?
O7 C89 C90 F63 -47.7(11) . . . . ?
O7 C89 C91 F58 -40.8(9) . . . . ?
O7 C89 C91 F59 80.4(9) . . . . ?
O7 C89 C91 F60 -162.5(8) . . . . ?
O7 C89 C92 F55 -37.9(10) . . . . ?
O7 C89 C92 F56 79.5(9) . . . . ?
O7 C89 C92 F57 -160.0(7) . . . . ?
O7A Al2 O5 C81 132.8(12) . . . . ?
O7A Al2 O6A C85A -169(3) . . . . ?
O7A Al2 O8A C93A -81(3) . . . . ?
O7A C89A C90A F61A -176.0(15) . . . . ?
O7A C89A C90A F62A 63.7(19) . . . . ?
O7A C89A C90A F63A -54(2) . . . . ?
O7A C89A C91A F58A -56(2) . . . . ?
O7A C89A C91A F59A 71(2) . . . . ?
O7A C89A C91A F60A -176.4(18) . . . . ?
O7A C89A C92A F55A -48(2) . . . . ?
O7A C89A C92A F56A 65(2) . . . . ?
O7A C89A C92A F57A -173.9(18) . . . . ?
O8 Al2 O5 C81 25.5(12) . . . . ?
O8 Al2 O6 C85 166.6(14) . . . . ?
O8 Al2 O7 C89 89.9(10) . . . . ?
O8 C93 C94 F64 172.8(10) . . . . ?
O8 C93 C94 F65 -72.6(11) . . . . ?
O8 C93 C94 F66 35.4(15) . . . . ?
O8 C93 C95 F70 173.6(10) . . . . ?
O8 C93 C95 F71 -78.6(11) . . . . ?
O8 C93 C95 F72 10.8(17) . . . . ?
O8 C93 C96 F67 161.3(10) . . . . ?
O8 C93 C96 F68 -82.9(12) . . . . ?
O8 C93 C96 F69 22.0(18) . . . . ?
O8A Al2 O5 C81 13.6(13) . . . . ?
O8A Al2 O6A C85A -47(3) . . . . ?
O8A Al2 O7A C89A -81(3) . . . . ?
O8A C93A C94A F64A 169.2(17) . . . . ?
O8A C93A C94A F65A -67(2) . . . . ?
O8A C93A C94A F66A 51(2) . . . . ?
O8A C93A C95A F70A 177.4(14) . . . . ?
O8A C93A C95A F71A -69.4(18) . . . . ?
O8A C93A C95A F72A 43.9(19) . . . . ?
O8A C93A C96A F67A 167.8(16) . . . . ?
O8A C93A C96A F68A 28(2) . . . . ?
O8A C93A C96A F69A 86(2) . . . . ?
F67A F69A C96A F68A -160.6(15) . . . . ?
F67A F69A C96A C93A 108.3(17) . . . . ?
F68A F69A C96A F67A 160.6(15) . . . . ?
F68A F69A C96A C93A -91.1(16) . . . . ?
F69A F67A C96A F68A 18.1(14) . . . . ?
F69A F67A C96A C93A -116.0(18) . . . . ?
F69A F68A C96A F67A -21.3(17) . . . . ?
F69A F68A C96A C93A 115.4(17) . . . . ?
F71 F72 C95 F70 99.1(15) . . . . ?
F71 F72 C95 C93 -101.4(13) . . . . ?
F72 F71 C95 F70 -127.5(12) . . . . ?
F72 F71 C95 C93 117.5(12) . . . . ?
C82 C81 C83 F40 75.3(7) . . . . ?
C82 C81 C83 F41 -46.8(7) . . . . ?
C82 C81 C83 F42 -166.1(6) . . . . ?
C82 C81 C84 F43 -44.6(6) . . . . ?
C82 C81 C84 F44 72.0(7) . . . . ?
C82 C81 C84 F45 -160.8(5) . . . . ?
C83 C81 C82 F37 -164.0(5) . . . . ?
C83 C81 C82 F38 -44.0(7) . . . . ?
C83 C81 C82 F39 76.3(7) . . . . ?
C83 C81 C84 F43 -164.2(5) . . . . ?
C83 C81 C84 F44 -47.6(7) . . . . ?
C83 C81 C84 F45 79.5(6) . . . . ?
C84 C81 C82 F37 76.6(6) . . . . ?
C84 C81 C82 F38 -163.4(5) . . . . ?
C84 C81 C82 F39 -43.0(7) . . . . ?
C84 C81 C83 F40 -163.4(6) . . . . ?
C84 C81 C83 F41 74.5(6) . . . . ?
C84 C81 C83 F42 -44.8(7) . . . . ?
C86 C85 C87 F46 78.6(18) . . . . ?
C86 C85 C87 F47 -52.9(19) . . . . ?
C86 C85 C87 F48 -169.1(10) . . . . ?
C86 C85 C88 F52 74.6(17) . . . . ?
C86 C85 C88 F53 -39.4(14) . . . . ?
C86 C85 C88 F54 -153.2(11) . . . . ?
C86A C85A C87A F46A 56(2) . . . . ?
C86A C85A C87A F47A -68(2) . . . . ?
C86A C85A C87A F48A -177.7(14) . . . . ?
C86A C85A C88A F52A 50(2) . . . . ?
C86A C85A C88A F53A -69(2) . . . . ?
C86A C85A C88A F54A 175.1(13) . . . . ?
C87 C85 C86 F49 -33.0(14) . . . . ?
C87 C85 C86 F50 77.2(15) . . . . ?
C87 C85 C86 F51 -158.9(12) . . . . ?
C87 C85 C88 F52 -47.4(18) . . . . ?
C87 C85 C88 F53 -161.3(13) . . . . ?
C87 C85 C88 F54 84.8(12) . . . . ?
C87A C85A C86A F49A -66(2) . . . . ?
C87A C85A C86A F50A 37.7(19) . . . . ?
C87A C85A C86A F51A 145.0(16) . . . . ?
C87A C85A C88A F52A -71(2) . . . . ?
C87A C85A C88A F53A 170.5(19) . . . . ?
C87A C85A C88A F54A 54.1(17) . . . . ?
C88 C85 C86 F49 -156.4(12) . . . . ?
C88 C85 C86 F50 -46.2(15) . . . . ?
C88 C85 C86 F51 77.7(13) . . . . ?
C88 C85 C87 F46 -157.3(17) . . . . ?
C88 C85 C87 F47 71.3(18) . . . . ?
C88 C85 C87 F48 -45.0(12) . . . . ?
C88A C85A C86A F49A 173.5(16) . . . . ?
C88A C85A C86A F50A -82.4(17) . . . . ?
C88A C85A C86A F51A 24.8(18) . . . . ?
C88A C85A C87A F46A 174.8(19) . . . . ?
C88A C85A C87A F47A 51(2) . . . . ?
C88A C85A C87A F48A -59.1(18) . . . . ?
C90 C89 C91 F58 76.1(9) . . . . ?
C90 C89 C91 F59 -162.7(8) . . . . ?
C90 C89 C91 F60 -45.6(11) . . . . ?
C90 C89 C92 F55 -159.7(7) . . . . ?
C90 C89 C92 F56 -42.3(9) . . . . ?
C90 C89 C92 F57 78.2(9) . . . . ?
C90A C89A C91A F58A 64(2) . . . . ?
C90A C89A C91A F59A -169.5(19) . . . . ?
C90A C89A C91A F60A -57(2) . . . . ?
C90A C89A C92A F55A -169.0(15) . . . . ?
C90A C89A C92A F56A -55.7(19) . . . . ?
C90A C89A C92A F57A 65(2) . . . . ?
C91 C89 C90 F61 78.8(11) . . . . ?
C91 C89 C90 F62 -42.3(10) . . . . ?
C91 C89 C90 F63 -161.6(8) . . . . ?
C91 C89 C92 F55 79.2(8) . . . . ?
C91 C89 C92 F56 -163.4(7) . . . . ?
C91 C89 C92 F57 -42.9(9) . . . . ?
C91A C89A C90A F61A 65(2) . . . . ?
C91A C89A C90A F62A -55.8(18) . . . . ?
C91A C89A C90A F63A -173.5(15) . . . . ?
C91A C89A C92A F55A 72.3(19) . . . . ?
C91A C89A C92A F56A -174.4(17) . . . . ?
C91A C89A C92A F57A -53(2) . . . . ?
C92 C89 C90 F61 -43.5(11) . . . . ?
C92 C89 C90 F62 -164.5(8) . . . . ?
C92 C89 C90 F63 76.2(9) . . . . ?
C92 C89 C91 F58 -162.7(7) . . . . ?
C92 C89 C91 F59 -41.5(9) . . . . ?
C92 C89 C91 F60 75.6(9) . . . . ?
C92A C89A C90A F61A -54.1(19) . . . . ?
C92A C89A C90A F62A -174.4(15) . . . . ?
C92A C89A C90A F63A 67.9(17) . . . . ?
C92A C89A C91A F58A -178(2) . . . . ?
C92A C89A C91A F59A -51(2) . . . . ?
C92A C89A C91A F60A 62(2) . . . . ?
C94 C93 C95 F70 52.5(12) . . . . ?
C94 C93 C95 F71 160.3(9) . . . . ?
C94 C93 C95 F72 -110.3(14) . . . . ?
C94 C93 C96 F67 -73.5(12) . . . . ?
C94 C93 C96 F68 42.3(11) . . . . ?
C94 C93 C96 F69 147.2(13) . . . . ?
C94A C93A C95A F70A 60.2(17) . . . . ?
C94A C93A C95A F71A 173.4(16) . . . . ?
C94A C93A C95A F72A -73.3(17) . . . . ?
C94A C93A C96A F67A -66.7(19) . . . . ?
C94A C93A C96A F68A 154.0(15) . . . . ?
C94A C93A C96A F69A -147.9(17) . . . . ?
C95 C93 C94 F64 -72.0(14) . . . . ?
C95 C93 C94 F65 42.5(10) . . . . ?
C95 C93 C94 F66 150.6(11) . . . . ?
C95 C93 C96 F67 46.1(14) . . . . ?
C95 C93 C96 F68 161.9(10) . . . . ?
C95 C93 C96 F69 -93.2(14) . . . . ?
C95A C93A C94A F64A -80(2) . . . . ?
C95A C93A C94A F65A 43.8(19) . . . . ?
C95A C93A C94A F66A 161.6(15) . . . . ?
C95A C93A C96A F67A 50(2) . . . . ?
C95A C93A C96A F68A -89.2(17) . . . . ?
C95A C93A C96A F69A -31(2) . . . . ?
C96 C93 C94 F64 49.4(13) . . . . ?
C96 C93 C94 F65 163.9(8) . . . . ?
C96 C93 C94 F66 -88.0(12) . . . . ?
C96 C93 C95 F70 -67.4(12) . . . . ?
C96 C93 C95 F71 40.4(12) . . . . ?
C96 C93 C95 F72 129.8(14) . . . . ?
C96A F67A F69A F68A -20.2(15) . . . . ?
C96A F68A F69A F67A 18.0(13) . . . . ?
C96A C93A C94A F64A 41(2) . . . . ?
C96A C93A C94A F65A 164.9(16) . . . . ?
C96A C93A C94A F66A -77.3(17) . . . . ?
C96A C93A C95A F70A -57.2(18) . . . . ?
C96A C93A C95A F71A 56.0(19) . . . . ?
C96A C93A C95A F72A 169.3(13) . . . . ?

