# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_1_sq
_database_code_depnum_ccdc_archive 'CCDC 2226515'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_audit_creation_date             2019-11-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H90 Au6 Cl8 Ga4 P6, 2(C7 H8)'
_chemical_formula_sum            'C50 H106 Au6 Cl8 Ga4 P6'
_chemical_formula_weight         2637.44
_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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   16.034(2)
_cell_length_b                   23.766(3)
_cell_length_c                   11.388(3)
_cell_angle_alpha                90
_cell_angle_beta                 108.155(2)
_cell_angle_gamma                90
_cell_volume                     4123.8(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3203
_cell_measurement_temperature    150
_cell_measurement_theta_max      23.325
_cell_measurement_theta_min      2.546
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.315
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.3834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1460 before and 0.0611 after correction. The Ratio of minimum to maximum transmission is 0.5139. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.124
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2460
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            24715
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.120
_diffrn_ambient_temperature      150.01
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3018
_reflns_number_total             4168
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.096
_refine_diff_density_min         -1.645
_refine_diff_density_rms         0.202
_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     244
_refine_ls_number_reflns         4168
_refine_ls_number_restraints     164
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0391
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0397P)²+29.6932P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.1025
_refine_special_details          SQUEEZE
_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
 C402-C403 \\sim C403-C404 \\sim C404-C405 \\sim C405-C406 \\sim C406-C407
\\sim C407-C402
 with sigma of 0.02
 C402-C406 \\sim C402-C404 \\sim C407-C405 \\sim C403-C407 \\sim C404-C406
\\sim C403-C405
 with sigma of 0.04
 C401-C407 \\sim C401-C403
 with sigma of 0.04
3. Restrained planarity
 C401, C402, C403, C404, C405, C406, C407
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Au2 \\sim Au3: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
P21 \\sim P31: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C301: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C302: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C401 \\sim C402 \\sim C403 \\sim C404 \\sim C405 \\sim C406 \\sim C407: within
2A with sigma of 0.04 and sigma for terminal atoms of 0.08
C201 \\sim C303: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C302) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C201) \\sim Ueq, Uanis(C303) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C304) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C401, C402, C403, C404, C405, C406, C407
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: Au2(0.25) Au3(0.25) P21(0.25) P31(0.25) C201(0.5) H20A(0.5)
 H20B(0.5) C202(0.5) H20C(0.5) H20D(0.5) H20E(0.5) H30A(0.5) H30B(0.5)
 H30D(0.5) H30E(0.5) C303(0.5) H30F(0.5) H30G(0.5) C304(0.5) H30H(0.5)
 H30I(0.5) H30J(0.5) C401(0.5) H40A(0.5) H40B(0.5) H40C(0.5) C402(0.5)
 C403(0.5) H403(0.5) C404(0.5) H404(0.5) C405(0.5) H405(0.5) C406(0.5)
 H406(0.5) C407(0.5) H407(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C103(H10F,H10G), C105(H10K,H10L), C201(H20A,H20B), C301(H30A,
 H30B), C303(H30F,H30G)
7.b Me refined with riding coordinates:
 C302(H30C,H30D,H30E), C304(H30H,H30I,H30J), C401(H40A,H40B,H40C)
7.c Aromatic/amide H refined with riding coordinates:
 C403(H403), C404(H404), C405(H405), C406(H406), C407(H407)
7.d Idealised Me refined as rotating group:
 C102(H10C,H10D,H10E), C104(H10H,H10I,H10J), C106(H10M,H10N,H10O), C202(H20C,
 H20D,H20E)
;
_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 0.58121(2) 0.59896(2) 0.58790(3) 0.03801(13) Uani 1 1 d . . . . .
Au2 Au 0.53117(10) 0.5000 0.43301(17) 0.0249(3) Uani 0.5 2 d S TU P A 2
Au3 Au 0.56185(11) 0.5000 0.41909(19) 0.0360(4) Uani 0.5 2 d S TU P A 1
Ga1 Ga 0.5000 0.68762(5) 0.5000 0.0347(3) Uani 1 2 d S T P A .
Ga2 Ga 0.63968(10) 0.5000 0.67270(16) 0.0482(4) Uani 1 2 d S T P A .
Cl11 Cl 0.45184(17) 0.74580(11) 0.6173(3) 0.0565(7) Uani 1 1 d . . . . .
Cl21 Cl 0.6453(3) 0.5000 0.8738(4) 0.0662(12) Uani 1 2 d S T P . .
Cl22 Cl 0.7842(2) 0.5000 0.6981(3) 0.0455(8) Uani 1 2 d S T P . .
P11 P 0.70592(15) 0.64807(10) 0.7082(2) 0.0366(5) Uani 1 1 d . . . . .
P21 P 0.6014(7) 0.5000 0.2812(13) 0.031(2) Uani 0.5 2 d S TU P A 2
P31 P 0.6347(7) 0.5000 0.2743(13) 0.035(2) Uani 0.5 2 d S TU P A 1
C101 C 0.7543(7) 0.6280(4) 0.8696(9) 0.049(2) Uani 1 1 d . . . . .
H10A H 0.7674 0.5872 0.8746 0.059 Uiso 1 1 calc R . . . .
H10B H 0.8104 0.6485 0.9050 0.059 Uiso 1 1 calc R . . . .
C102 C 0.6935(8) 0.6412(5) 0.9450(9) 0.065(3) Uani 1 1 d . . . . .
H10C H 0.6362 0.6237 0.9059 0.097 Uiso 1 1 calc GR . . . .
H10D H 0.6863 0.6820 0.9488 0.097 Uiso 1 1 calc GR . . . .
H10E H 0.7187 0.6262 1.0288 0.097 Uiso 1 1 calc GR . . . .
C103 C 0.6861(7) 0.7238(4) 0.7147(9) 0.046(2) Uani 1 1 d . . . . .
H10F H 0.6664 0.7385 0.6292 0.056 Uiso 1 1 calc R . . . .
H10G H 0.6374 0.7292 0.7497 0.056 Uiso 1 1 calc R . . . .
C104 C 0.7637(7) 0.7587(4) 0.7896(10) 0.059(3) Uani 1 1 d . . . . .
H10H H 0.8104 0.7570 0.7511 0.089 Uiso 1 1 calc GR . . . .
H10I H 0.7855 0.7438 0.8739 0.089 Uiso 1 1 calc GR . . . .
H10J H 0.7451 0.7979 0.7921 0.089 Uiso 1 1 calc GR . . . .
C105 C 0.7952(7) 0.6435(4) 0.6416(9) 0.051(3) Uani 1 1 d . . . . .
H10K H 0.8426 0.6696 0.6863 0.061 Uiso 1 1 calc R . . . .
H10L H 0.8194 0.6049 0.6532 0.061 Uiso 1 1 calc R . . . .
C106 C 0.7666(8) 0.6577(5) 0.5064(10) 0.072(4) Uani 1 1 d . . . . .
H10M H 0.7363 0.6253 0.4586 0.108 Uiso 1 1 calc GR . . . .
H10N H 0.8182 0.6670 0.4814 0.108 Uiso 1 1 calc GR . . . .
H10O H 0.7268 0.6901 0.4910 0.108 Uiso 1 1 calc GR . . . .
C201 C 0.5720(13) 0.4487(8) 0.1560(16) 0.039(4) Uani 0.5 1 d . U . A 2
H20A H 0.5088 0.4520 0.1094 0.047 Uiso 0.5 1 calc R . . A 2
H20B H 0.6060 0.4560 0.0984 0.047 Uiso 0.5 1 calc R . . A 2
C202 C 0.594(2) 0.3846(10) 0.215(2) 0.050(7) Uani 0.5 1 d . . . A 2
H20C H 0.5690 0.3568 0.1495 0.075 Uiso 0.5 1 calc GR . . A 2
H20D H 0.5673 0.3797 0.2808 0.075 Uiso 0.5 1 calc GR . . A 2
H20E H 0.6573 0.3794 0.2479 0.075 Uiso 0.5 1 calc GR . . A 2
C301 C 0.7336(16) 0.5000 0.3388(18) 0.110(8) Uani 1 2 d S TU P . .
H30A H 0.7491 0.4664 0.3925 0.132 Uiso 0.5 1 calc R . . A .
H30B H 0.7491 0.5336 0.3925 0.132 Uiso 0.5 1 calc R . . A .
C302 C 0.7897(18) 0.5000 0.250(2) 0.143(10) Uani 1 2 d S TU P A .
H30C H 0.8521 0.5000 0.2981 0.214 Uiso 1 2 calc RS T P . .
H30D H 0.7762 0.4663 0.1977 0.214 Uiso 0.5 1 calc R . . . .
H30E H 0.7762 0.5337 0.1977 0.214 Uiso 0.5 1 calc R . . . .
C303 C 0.6257(18) 0.4317(11) 0.200(2) 0.070(5) Uani 0.5 1 d . U . A 1
H30F H 0.6359 0.4387 0.1201 0.084 Uiso 0.5 1 calc R . . A 1
H30G H 0.6770 0.4099 0.2507 0.084 Uiso 0.5 1 calc R . . A 1
C304 C 0.5597(19) 0.3971(15) 0.176(3) 0.061(9) Uani 0.5 1 d . U . A 1
H30H H 0.5732 0.3634 0.1355 0.092 Uiso 0.5 1 calc R . . A 1
H30I H 0.5489 0.3864 0.2529 0.092 Uiso 0.5 1 calc R . . A 1
H30J H 0.5074 0.4155 0.1208 0.092 Uiso 0.5 1 calc R . . A 1
C401 C 1.040(2) 0.5595(13) 0.906(3) 0.129(11) Uani 0.5 1 d D U . B -1
H40A H 1.0324 0.5284 0.9584 0.194 Uiso 0.5 1 calc R . . B -1
H40B H 0.9977 0.5554 0.8231 0.194 Uiso 0.5 1 calc R . . B -1
H40C H 1.0997 0.5590 0.9009 0.194 Uiso 0.5 1 calc R . . B -1
C402 C 1.0244(19) 0.6126(9) 0.959(3) 0.086(8) Uani 0.5 1 d D U . B -1
C403 C 1.002(2) 0.6134(11) 1.067(3) 0.089(8) Uani 0.5 1 d D U . B -1
H403 H 0.9985 0.5792 1.1087 0.107 Uiso 0.5 1 calc R . . B -1
C404 C 0.985(3) 0.6638(15) 1.115(4) 0.081(7) Uani 0.5 1 d D U . B -1
H404 H 0.9669 0.6646 1.1865 0.097 Uiso 0.5 1 calc R . . B -1
C405 C 0.994(5) 0.7133(11) 1.057(5) 0.082(7) Uani 0.5 1 d D U . B -1
H405 H 0.9824 0.7482 1.0891 0.098 Uiso 0.5 1 calc R . . B -1
C406 C 1.020(5) 0.7126(9) 0.953(6) 0.088(9) Uani 0.5 1 d D U . B -1
H406 H 1.0302 0.7470 0.9169 0.106 Uiso 0.5 1 calc R . . B -1
C407 C 1.031(4) 0.6622(12) 0.900(4) 0.087(9) Uani 0.5 1 d D U . B -1
H407 H 1.0441 0.6616 0.8237 0.105 Uiso 0.5 1 calc R . . B -1


_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 Au1 2.7461(7) 2_656 ?
Au1 Au2 2.9271(9) 5_666 ?
Au1 Au2 2.8991(12) . ?
Au1 Au3 3.2689(11) 5_666 ?
Au1 Au3 2.9920(13) . ?
Au1 Ga1 2.5150(11) . ?
Au1 Ga2 2.6036(7) . ?
Au1 P11 2.352(2) . ?
Au2 Au1 2.9271(9) 2_656 ?
Au2 Au1 2.8991(12) 6_565 ?
Au2 Au1 2.9271(9) 5_666 ?
Au2 Au2 2.068(3) 5_666 ?
Au2 Ga2 2.742(2) . ?
Au2 Ga2 2.627(2) 5_666 ?
Au2 P21 2.339(10) . ?
Au3 Au1 2.9920(13) 6_565 ?
Au3 Au1 3.2689(11) 5_666 ?
Au3 Au1 3.2689(11) 2_656 ?
Au3 Au3 3.100(3) 5_666 ?
Au3 Ga2 2.766(3) . ?
Au3 Ga2 3.071(2) 5_666 ?
Au3 P31 2.298(10) . ?
Ga1 Au1 2.5149(11) 2_656 ?
Ga1 Cl11 2.222(3) . ?
Ga1 Cl11 2.222(3) 2_656 ?
Ga2 Au1 2.6037(7) 6_565 ?
Ga2 Au2 2.627(2) 5_666 ?
Ga2 Au3 3.071(2) 5_666 ?
Ga2 Cl21 2.263(5) . ?
Ga2 Cl22 2.244(4) . ?
P11 C101 1.822(10) . ?
P11 C103 1.833(9) . ?
P11 C105 1.819(10) . ?
P21 C201 1.82(2) . ?
P21 C201 1.82(2) 6_565 ?
P31 C301 1.53(3) . ?
P31 C303 1.81(3) 6_565 ?
P31 C303 1.81(3) . ?
C101 C102 1.519(15) . ?
C103 C104 1.517(13) . ?
C105 C106 1.502(14) . ?
C201 C202 1.65(3) . ?
C301 C302 1.55(3) . ?
C303 C304 1.30(4) . ?
C401 C402 1.45(4) . ?
C402 C403 1.385(15) . ?
C402 C407 1.381(15) . ?
C403 C404 1.375(15) . ?
C404 C405 1.377(15) . ?
C405 C406 1.373(14) . ?
C406 C407 1.377(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au1 Au1 Au2 62.39(3) 2_656 . ?
Au1 Au1 Au2 61.36(3) 2_656 5_666 ?
Au1 Au1 Au3 69.30(4) 2_656 . ?
Au1 Au1 Au3 58.90(4) 2_656 5_666 ?
Au2 Au1 Au2 41.58(6) . 5_666 ?
Au3 Au1 Au3 59.15(5) . 5_666 ?
Ga1 Au1 Au1 56.909(18) . 2_656 ?
Ga1 Au1 Au2 115.26(4) . . ?
Ga1 Au1 Au2 114.30(3) . 5_666 ?
Ga1 Au1 Au3 108.71(3) . 5_666 ?
Ga1 Au1 Au3 117.75(4) . . ?
Ga1 Au1 Ga2 170.54(4) . . ?
Ga2 Au1 Au1 114.87(3) . 2_656 ?
Ga2 Au1 Au2 59.49(5) . . ?
Ga2 Au1 Au2 56.34(4) . 5_666 ?
Ga2 Au1 Au3 61.83(4) . 5_666 ?
Ga2 Au1 Au3 58.77(5) . . ?
P11 Au1 Au1 149.97(6) . 2_656 ?
P11 Au1 Au2 141.34(7) . . ?
P11 Au1 Au2 146.76(7) . 5_666 ?
P11 Au1 Au3 146.53(7) . 5_666 ?
P11 Au1 Au3 131.57(7) . . ?
P11 Au1 Ga1 93.26(6) . . ?
P11 Au1 Ga2 95.15(7) . . ?
Au1 Au2 Au1 56.239(18) 6_565 5_666 ?
Au1 Au2 Au1 56.240(18) . 2_656 ?
Au1 Au2 Au1 138.42(5) 6_565 2_656 ?
Au1 Au2 Au1 108.44(6) . 6_565 ?
Au1 Au2 Au1 106.93(5) 5_666 2_656 ?
Au1 Au2 Au1 138.42(5) . 5_666 ?
Au2 Au2 Au1 69.93(6) 5_666 . ?
Au2 Au2 Au1 69.93(6) 5_666 6_565 ?
Au2 Au2 Au1 68.48(4) 5_666 5_666 ?
Au2 Au2 Au1 68.48(4) 5_666 2_656 ?
Au2 Au2 Ga2 64.42(10) 5_666 . ?
Au2 Au2 Ga2 70.32(9) 5_666 5_666 ?
Au2 Au2 P21 179.9(3) 5_666 . ?
Ga2 Au2 Au1 55.60(3) 5_666 2_656 ?
Ga2 Au2 Au1 54.89(3) . . ?
Ga2 Au2 Au1 105.34(5) . 2_656 ?
Ga2 Au2 Au1 105.34(5) . 5_666 ?
Ga2 Au2 Au1 109.28(4) 5_666 . ?
Ga2 Au2 Au1 109.28(4) 5_666 6_565 ?
Ga2 Au2 Au1 55.60(3) 5_666 5_666 ?
Ga2 Au2 Au1 54.89(3) . 6_565 ?
Ga2 Au2 Ga2 134.74(6) 5_666 . ?
P21 Au2 Au1 110.13(17) . 6_565 ?
P21 Au2 Au1 110.13(17) . . ?
P21 Au2 Au1 111.46(16) . 5_666 ?
P21 Au2 Au1 111.46(16) . 2_656 ?
P21 Au2 Ga2 109.6(3) . 5_666 ?
P21 Au2 Ga2 115.7(3) . . ?
Au1 Au3 Au1 51.800(18) 6_565 5_666 ?
Au1 Au3 Au1 120.85(5) . 5_666 ?
Au1 Au3 Au1 51.801(18) . 2_656 ?
Au1 Au3 Au1 92.03(4) 5_666 2_656 ?
Au1 Au3 Au1 120.85(5) 6_565 2_656 ?
Au1 Au3 Au1 103.64(6) . 6_565 ?
Au1 Au3 Au3 64.88(4) 6_565 5_666 ?
Au1 Au3 Au3 64.88(4) . 5_666 ?
Au1 Au3 Ga2 96.10(4) 6_565 5_666 ?
Au1 Au3 Ga2 96.10(4) . 5_666 ?
Au3 Au3 Au1 55.97(3) 5_666 5_666 ?
Au3 Au3 Au1 55.97(3) 5_666 2_656 ?
Ga2 Au3 Au1 48.37(2) 5_666 2_656 ?
Ga2 Au3 Au1 48.37(2) 5_666 5_666 ?
Ga2 Au3 Au1 53.59(3) . 6_565 ?
Ga2 Au3 Au1 53.59(3) . . ?
Ga2 Au3 Au1 96.33(5) . 5_666 ?
Ga2 Au3 Au1 96.33(5) . 2_656 ?
Ga2 Au3 Au3 62.83(8) . 5_666 ?
Ga2 Au3 Au3 53.27(7) 5_666 5_666 ?
Ga2 Au3 Ga2 116.10(6) . 5_666 ?
P31 Au3 Au1 119.13(14) . 6_565 ?
P31 Au3 Au1 119.48(19) . 2_656 ?
P31 Au3 Au1 119.48(19) . 5_666 ?
P31 Au3 Au1 119.13(15) . . ?
P31 Au3 Au3 171.4(3) . 5_666 ?
P31 Au3 Ga2 118.2(3) . 5_666 ?
P31 Au3 Ga2 125.7(3) . . ?
Au1 Ga1 Au1 66.18(4) 2_656 . ?
Cl11 Ga1 Au1 121.80(7) 2_656 . ?
Cl11 Ga1 Au1 121.06(8) . . ?
Cl11 Ga1 Au1 121.06(8) 2_656 2_656 ?
Cl11 Ga1 Au1 121.80(7) . 2_656 ?
Cl11 Ga1 Cl11 103.01(16) . 2_656 ?
Au1 Ga2 Au1 129.20(6) . 6_565 ?
Au1 Ga2 Au2 65.63(3) 6_565 . ?
Au1 Ga2 Au2 68.06(3) 6_565 5_666 ?
Au1 Ga2 Au2 68.06(3) . 5_666 ?
Au1 Ga2 Au2 65.63(3) . . ?
Au1 Ga2 Au3 69.80(3) 6_565 5_666 ?
Au1 Ga2 Au3 67.64(3) 6_565 . ?
Au1 Ga2 Au3 67.64(3) . . ?
Au1 Ga2 Au3 69.80(3) . 5_666 ?
Au2 Ga2 Au2 45.26(6) 5_666 . ?
Au3 Ga2 Au3 63.90(6) . 5_666 ?
Cl21 Ga2 Au1 105.75(6) . 6_565 ?
Cl21 Ga2 Au1 105.75(6) . . ?
Cl21 Ga2 Au2 145.09(13) . . ?
Cl21 Ga2 Au2 99.84(13) . 5_666 ?
Cl21 Ga2 Au3 92.89(13) . 5_666 ?
Cl21 Ga2 Au3 156.79(13) . . ?
Cl22 Ga2 Au1 106.61(5) . 6_565 ?
Cl22 Ga2 Au1 106.61(5) . . ?
Cl22 Ga2 Au2 161.22(13) . 5_666 ?
Cl22 Ga2 Au2 115.96(12) . . ?
Cl22 Ga2 Au3 168.17(12) . 5_666 ?
Cl22 Ga2 Au3 104.27(11) . . ?
Cl22 Ga2 Cl21 98.94(15) . . ?
C101 P11 Au1 118.4(3) . . ?
C101 P11 C103 103.9(4) . . ?
C103 P11 Au1 112.6(3) . . ?
C105 P11 Au1 111.4(3) . . ?
C105 P11 C101 105.2(5) . . ?
C105 P11 C103 104.1(5) . . ?
C201 P21 Au2 120.7(7) . . ?
C201 P21 Au2 120.7(7) 6_565 . ?
C201 P21 C201 84.0(13) . 6_565 ?
C301 P31 Au3 109.8(10) . . ?
C301 P31 C303 98.3(10) . . ?
C301 P31 C303 98.3(10) . 6_565 ?
C303 P31 Au3 110.4(9) . . ?
C303 P31 Au3 110.4(9) 6_565 . ?
C303 P31 C303 126.9(19) . 6_565 ?
C102 C101 P11 111.7(7) . . ?
C104 C103 P11 116.0(7) . . ?
C106 C105 P11 112.7(8) . . ?
C202 C201 P21 109.3(14) . . ?
P31 C301 C302 114.4(17) . . ?
C304 C303 P31 127(2) . . ?
C403 C402 C401 120.4(19) . . ?
C407 C402 C401 119.1(18) . . ?
C407 C402 C403 120.4(17) . . ?
C404 C403 C402 119.8(17) . . ?
C403 C404 C405 119.5(15) . . ?
C406 C405 C404 120.6(17) . . ?
C405 C406 C407 120.3(17) . . ?
C406 C407 C402 119.1(15) . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 207 96 ' '
2 1.000 0.500 0.500 207 96 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene, pentane'
####################################################################### 
# 
# 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_37
_database_code_depnum_ccdc_archive 'CCDC 2226516'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_audit_creation_date             2019-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H126 Au7 Cl6 Ga3 P6'
_chemical_formula_sum            'C54 H126 Au7 Cl6 Ga3 P6'
_chemical_formula_weight         2761.99
_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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.0624(10)
_cell_length_b                   15.2056(11)
_cell_length_c                   21.0776(16)
_cell_angle_alpha                92.022(2)
_cell_angle_beta                 98.393(2)
_cell_angle_gamma                91.024(2)
_cell_volume                     4137.9(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.870
_cell_measurement_theta_min      2.325
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.656
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.3566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1595 before and 0.0686 after correction. The Ratio of minimum to maximum transmission is 0.4780. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.276
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.038
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            237222
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         2.045
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16059
_reflns_number_total             19942
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.174
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         19942
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0313
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0229P)²+21.7110P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0786
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C707 \\sim C710: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C110 \\sim C113: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C202 \\sim C204: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C105 \\sim C108: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C104 \\sim C107: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C203 \\sim C205: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C201) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(H10U)=Sof(H10V)=Sof(H10W)=Sof(C107)=Sof(H10P)=Sof(H10Q)=Sof(C108)=
 Sof(H10N)=Sof(H10O)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C112)=Sof(H11I)=
 Sof(H11J)=Sof(C113)=Sof(H11K)=Sof(H11L)=Sof(H20L)=Sof(H20M)=Sof(C204)=
 Sof(H20N)=Sof(H20O)=Sof(C205)=Sof(H20U)=Sof(H20V)=Sof(H20W)=Sof(C710)=
 Sof(H71F)=Sof(H71G)=Sof(C711)=Sof(H71A)=Sof(H71B)=Sof(C712)=Sof(H71C)=
 Sof(H71D)=Sof(H71E)=1-FVAR(1)
 Sof(C104)=Sof(H10J)=Sof(H10K)=Sof(C105)=Sof(H10L)=Sof(H10M)=Sof(H10R)=
 Sof(H10S)=Sof(H10T)=Sof(C109)=Sof(H10H)=Sof(H10I)=Sof(C110)=Sof(H11G)=
 Sof(H11H)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(H20J)=Sof(H20K)=Sof(C202)=
 Sof(H20P)=Sof(H20Q)=Sof(C203)=Sof(H20R)=Sof(H20S)=Sof(H20T)=Sof(C707)=
 Sof(H70T)=Sof(H70U)=Sof(C708)=Sof(H70O)=Sof(H70P)=Sof(C709)=Sof(H70J)=
 Sof(H70K)=Sof(H70L)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C101(H10C,H10D), C102(H10A,H10B), C104(H10J,H10K), C105(H10L,H10M), C107(H10P,
 H10Q), C108(H10N,H10O), C109(H10H,H10I), C110(H11G,H11H), C112(H11I,H11J),
 C113(H11K,H11L), C201(H20L,H20M), C201(H20J,H20K), C202(H20P,H20Q), C204(H20N,
 H20O), C206(H20F,H20G), C207(H20A,H20B), C209(H20H,H20I), C210(H21A,H21B),
 C301(H30G,H30H), C302(H30E,H30F), C304(H30C,H30D), C305(H30A,H30B), C307(H30L,
 H30M), C308(H30Q,H30R), C501(H50H,H50I), C502(H50J,H50K), C504(H50A,H50B),
 C505(H50F,H50G), C507(H50O,H50P), C508(H50Q,H50R), C601(H60M,H60N), C602(H60O,
 H60P), C604(H60A,H60B), C605(H60K,H60L), C607(H60F,H60G), C608(H60T,H60U),
 C701(H70A,H70B), C702(H70M,H70N), C704(H70E,H70F), C705(H70C,H70D), C707(H70T,
 H70U), C708(H70O,H70P), C710(H71F,H71G), C711(H71A,H71B)
4.b Me refined with riding coordinates:
 C103(H10E,H10F,H10G), C106(H10R,H10S,H10T), C106(H10U,H10V,H10W), C111(H11A,
 H11B,H11C), C111(H11D,H11E,H11F), C203(H20R,H20S,H20T), C205(H20U,H20V,H20W),
 C208(H20C,H20D,H20E), C211(H21C,H21D,H21E), C303(H30N,H30O,H30P), C306(H30I,
 H30J,H30K), C309(H30S,H30T,H30U), C503(H50L,H50M,H50N), C506(H50C,H50D,H50E),
 C509(H50S,H50T,H50U), C603(H60H,H60I,H60J), C606(H60C,H60D,H60E), C609(H60Q,
 H60R,H60S), C703(H70Q,H70R,H70S), C706(H70G,H70H,H70I), C709(H70J,H70K,H70L),
 C712(H71C,H71D,H71E)
;
_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 0.23701(2) 0.73554(2) 0.80669(2) 0.03073(5) Uani 1 1 d . . . . .
Au2 Au 0.25394(2) 0.55630(2) 0.82065(2) 0.03954(6) Uani 1 1 d . . . . .
Au3 Au 0.16582(2) 0.63272(2) 0.70146(2) 0.03138(6) Uani 1 1 d . . . . .
Au4 Au 0.25895(2) 0.80264(2) 0.68611(2) 0.03017(5) Uani 1 1 d . . . . .
Au5 Au 0.40104(2) 0.85388(2) 0.79270(2) 0.03210(6) Uani 1 1 d . . . . .
Au6 Au 0.38061(2) 0.66039(2) 0.75119(2) 0.03448(6) Uani 1 1 d . . . . .
Au7 Au 0.23526(2) 0.87707(2) 0.57307(2) 0.03606(6) Uani 1 1 d . . . . .
Ga1 Ga 0.39994(7) 0.74264(6) 0.88636(4) 0.0495(2) Uani 1 1 d . . . . .
Ga2 Ga 0.12051(5) 0.73662(5) 0.60878(3) 0.03446(15) Uani 1 1 d . . . . .
Ga3 Ga 0.36587(5) 0.93426(5) 0.68437(3) 0.03196(14) Uani 1 1 d . . . . .
Cl11 Cl 0.3974(2) 0.79777(18) 0.98740(9) 0.0764(7) Uani 1 1 d . . . . .
Cl12 Cl 0.5320(2) 0.64953(16) 0.90864(12) 0.0780(7) Uani 1 1 d . . . . .
Cl21 Cl -0.03771(14) 0.79024(14) 0.59883(10) 0.0554(5) Uani 1 1 d . . . . .
Cl22 Cl 0.12691(18) 0.66828(13) 0.51359(8) 0.0560(5) Uani 1 1 d . . . . .
Cl31 Cl 0.32103(15) 1.07292(12) 0.69537(9) 0.0502(4) Uani 1 1 d . . . . .
Cl32 Cl 0.50370(14) 0.94271(13) 0.63466(8) 0.0477(4) Uani 1 1 d . . . . .
P1 P 0.0918(2) 0.78851(14) 0.84306(12) 0.0625(6) Uani 1 1 d . . . . .
P2 P 0.28170(17) 0.45335(13) 0.89910(10) 0.0497(5) Uani 1 1 d . . . . .
P3 P 0.07644(13) 0.50920(11) 0.65415(8) 0.0349(4) Uani 1 1 d . . . . .
P5 P 0.51580(14) 0.95642(12) 0.85183(8) 0.0389(4) Uani 1 1 d . . . . .
P6 P 0.51922(14) 0.60566(14) 0.71062(10) 0.0480(5) Uani 1 1 d . . . . .
P7 P 0.22575(15) 0.91637(13) 0.46786(8) 0.0419(4) Uani 1 1 d . . . . .
C101 C 0.0214(7) 0.8693(7) 0.7928(5) 0.076(3) Uani 1 1 d . . . . .
H10C H -0.0112 0.8387 0.7524 0.091 Uiso 1 1 calc R . . . .
H10D H -0.0350 0.8918 0.8151 0.091 Uiso 1 1 calc R . . . .
C102 C 0.0819(8) 0.9445(7) 0.7761(6) 0.081(3) Uani 1 1 d . . . . .
H10A H 0.1390 0.9229 0.7540 0.097 Uiso 1 1 calc R . . . .
H10B H 0.1130 0.9770 0.8160 0.097 Uiso 1 1 calc R . . . .
C103 C 0.0163(12) 1.0076(9) 0.7326(7) 0.124(5) Uani 1 1 d . . . . .
H10E H 0.0601 1.0569 0.7228 0.186 Uiso 1 1 calc R . . . .
H10F H -0.0136 0.9761 0.6926 0.186 Uiso 1 1 calc R . . . .
H10G H -0.0395 1.0302 0.7546 0.186 Uiso 1 1 calc R . . . .
C104 C 0.0779(13) 0.8193(11) 0.9181(7) 0.061(4) Uani 0.578(8) 1 d . U P A 1
H10J H 0.0032 0.8249 0.9208 0.073 Uiso 0.578(8) 1 calc R . P A 1
H10K H 0.1050 0.7728 0.9473 0.073 Uiso 0.578(8) 1 calc R . P A 1
C105 C 0.1294(13) 0.8996(14) 0.9388(8) 0.072(4) Uani 0.578(8) 1 d . U P A 1
H10L H 0.1015 0.9472 0.9109 0.086 Uiso 0.578(8) 1 calc R . P A 1
H10M H 0.2042 0.8950 0.9363 0.086 Uiso 0.578(8) 1 calc R . P A 1
C106 C 0.1105(13) 0.9243(10) 1.0202(6) 0.139(6) Uani 1 1 d . . . . .
H10R H 0.1461 0.9802 1.0352 0.208 Uiso 0.578(8) 1 calc R . P A 1
H10S H 0.0364 0.9292 1.0223 0.208 Uiso 0.578(8) 1 calc R . P A 1
H10T H 0.1388 0.8772 1.0476 0.208 Uiso 0.578(8) 1 calc R . P A 1
H10U H 0.0647 0.9571 1.0449 0.208 Uiso 0.422(8) 1 calc R . P A 2
H10V H 0.1392 0.8747 1.0449 0.208 Uiso 0.422(8) 1 calc R . P A 2
H10W H 0.1671 0.9634 1.0117 0.208 Uiso 0.422(8) 1 calc R . P A 2
C107 C 0.1429(15) 0.8427(15) 0.9306(10) 0.052(4) Uani 0.422(8) 1 d . U P A 2
H10P H 0.1705 0.7962 0.9597 0.062 Uiso 0.422(8) 1 calc R . P A 2
H10Q H 0.1999 0.8855 0.9277 0.062 Uiso 0.422(8) 1 calc R . P A 2
C108 C 0.0518(15) 0.8913(15) 0.9593(9) 0.061(4) Uani 0.422(8) 1 d . U P A 2
H10N H 0.0234 0.9396 0.9322 0.073 Uiso 0.422(8) 1 calc R . P A 2
H10O H -0.0049 0.8499 0.9657 0.073 Uiso 0.422(8) 1 calc R . P A 2
C109 C -0.0262(10) 0.7067(11) 0.8226(7) 0.052(4) Uani 0.578(8) 1 d . . P A 1
H10H H -0.0903 0.7372 0.8294 0.062 Uiso 0.578(8) 1 calc R . P A 1
H10I H -0.0330 0.6874 0.7768 0.062 Uiso 0.578(8) 1 calc R . P A 1
C110 C -0.0140(12) 0.6255(11) 0.8644(9) 0.057(4) Uani 0.578(8) 1 d . U P A 1
H11G H 0.0473 0.5921 0.8560 0.068 Uiso 0.578(8) 1 calc R . P A 1
H11H H -0.0047 0.6439 0.9104 0.068 Uiso 0.578(8) 1 calc R . P A 1
C111 C -0.1084(7) 0.5703(6) 0.8479(6) 0.080(3) Uani 1 1 d . . . . .
H11A H -0.1028 0.5179 0.8738 0.120 Uiso 0.578(8) 1 calc R . P A 1
H11B H -0.1686 0.6038 0.8565 0.120 Uiso 0.578(8) 1 calc R . P A 1
H11C H -0.1167 0.5523 0.8023 0.120 Uiso 0.578(8) 1 calc R . P A 1
H11D H -0.1373 0.5303 0.8120 0.120 Uiso 0.422(8) 1 calc R . P A 2
H11E H -0.0703 0.5363 0.8819 0.120 Uiso 0.422(8) 1 calc R . P A 2
H11F H -0.1647 0.6011 0.8646 0.120 Uiso 0.422(8) 1 calc R . P A 2
C112 C 0.0169(14) 0.7042(14) 0.8734(10) 0.054(5) Uani 0.422(8) 1 d . . P A 2
H11I H 0.0618 0.6720 0.9063 0.065 Uiso 0.422(8) 1 calc R . P A 2
H11J H -0.0387 0.7314 0.8942 0.065 Uiso 0.422(8) 1 calc R . P A 2
C113 C -0.0286(18) 0.6431(17) 0.8227(13) 0.061(5) Uani 0.422(8) 1 d . U P A 2
H11K H 0.0272 0.6115 0.8051 0.074 Uiso 0.422(8) 1 calc R . P A 2
H11L H -0.0671 0.6763 0.7877 0.074 Uiso 0.422(8) 1 calc R . P A 2
C201 C 0.1801(11) 0.3757(9) 0.9088(7) 0.111(4) Uani 1 1 d . U . . .
H20L H 0.1175 0.4079 0.8917 0.133 Uiso 0.422(8) 1 calc R . P A 2
H20M H 0.1875 0.3302 0.8751 0.133 Uiso 0.422(8) 1 calc R . P A 2
H20J H 0.1758 0.3326 0.8721 0.133 Uiso 0.578(8) 1 calc R . P A 1
H20K H 0.2051 0.3433 0.9477 0.133 Uiso 0.578(8) 1 calc R . P A 1
C202 C 0.0822(13) 0.3976(13) 0.9136(9) 0.076(4) Uani 0.578(8) 1 d . U P A 1
H20P H 0.0522 0.4236 0.8728 0.092 Uiso 0.578(8) 1 calc R . P A 1
H20Q H 0.0845 0.4443 0.9478 0.092 Uiso 0.578(8) 1 calc R . P A 1
C203 C 0.006(2) 0.323(3) 0.928(2) 0.103(11) Uani 0.578(8) 1 d . U P A 1
H20R H -0.0619 0.3476 0.9306 0.154 Uiso 0.578(8) 1 calc R . P A 1
H20S H 0.0005 0.2770 0.8942 0.154 Uiso 0.578(8) 1 calc R . P A 1
H20T H 0.0330 0.2978 0.9695 0.154 Uiso 0.578(8) 1 calc R . P A 1
C204 C 0.149(2) 0.3325(18) 0.9493(12) 0.078(5) Uani 0.422(8) 1 d . U P A 2
H20N H 0.1521 0.3717 0.9881 0.094 Uiso 0.422(8) 1 calc R . P A 2
H20O H 0.2002 0.2863 0.9600 0.094 Uiso 0.422(8) 1 calc R . P A 2
C205 C 0.042(3) 0.286(4) 0.940(3) 0.103(13) Uani 0.422(8) 1 d . U P A 2
H20U H 0.0328 0.2550 0.9791 0.154 Uiso 0.422(8) 1 calc R . P A 2
H20V H -0.0125 0.3298 0.9320 0.154 Uiso 0.422(8) 1 calc R . P A 2
H20W H 0.0361 0.2436 0.9036 0.154 Uiso 0.422(8) 1 calc R . P A 2
C206 C 0.3898(7) 0.3827(5) 0.8902(4) 0.059(2) Uani 1 1 d . . . . .
H20F H 0.4534 0.4198 0.8928 0.071 Uiso 1 1 calc R . . . .
H20G H 0.3995 0.3428 0.9266 0.071 Uiso 1 1 calc R . . . .
C207 C 0.3766(8) 0.3275(6) 0.8276(4) 0.067(2) Uani 1 1 d . . . . .
H20A H 0.3154 0.2876 0.8258 0.080 Uiso 1 1 calc R . . . .
H20B H 0.3639 0.3668 0.7910 0.080 Uiso 1 1 calc R . . . .
C208 C 0.4710(9) 0.2733(6) 0.8213(5) 0.085(3) Uani 1 1 d . . . . .
H20C H 0.4596 0.2389 0.7806 0.127 Uiso 1 1 calc R . . . .
H20D H 0.5316 0.3126 0.8222 0.127 Uiso 1 1 calc R . . . .
H20E H 0.4830 0.2334 0.8570 0.127 Uiso 1 1 calc R . . . .
C209 C 0.3192(8) 0.5054(6) 0.9784(4) 0.061(2) Uani 1 1 d . . . . .
H20H H 0.3280 0.4586 1.0101 0.073 Uiso 1 1 calc R . . . .
H20I H 0.3875 0.5351 0.9793 0.073 Uiso 1 1 calc R . . . .
C210 C 0.2454(8) 0.5715(7) 0.9995(4) 0.070(3) Uani 1 1 d . . . . .
H21A H 0.1771 0.5424 1.0000 0.084 Uiso 1 1 calc R . . . .
H21B H 0.2360 0.6190 0.9684 0.084 Uiso 1 1 calc R . . . .
C211 C 0.2851(10) 0.6115(7) 1.0662(5) 0.089(3) Uani 1 1 d . . . . .
H21C H 0.2355 0.6541 1.0785 0.133 Uiso 1 1 calc R . . . .
H21D H 0.2933 0.5647 1.0972 0.133 Uiso 1 1 calc R . . . .
H21E H 0.3521 0.6413 1.0656 0.133 Uiso 1 1 calc R . . . .
C301 C -0.0396(5) 0.5241(5) 0.5969(3) 0.0401(15) Uani 1 1 d . . . . .
H30G H -0.0209 0.5589 0.5613 0.048 Uiso 1 1 calc R . . . .
H30H H -0.0656 0.4657 0.5787 0.048 Uiso 1 1 calc R . . . .
C302 C -0.1262(5) 0.5699(5) 0.6248(3) 0.0462(17) Uani 1 1 d . . . . .
H30E H -0.0981 0.6243 0.6489 0.055 Uiso 1 1 calc R . . . .
H30F H -0.1533 0.5309 0.6554 0.055 Uiso 1 1 calc R . . . .
C303 C -0.2144(6) 0.5935(7) 0.5735(4) 0.065(2) Uani 1 1 d . . . . .
H30N H -0.2683 0.6228 0.5937 0.098 Uiso 1 1 calc R . . . .
H30O H -0.1883 0.6332 0.5435 0.098 Uiso 1 1 calc R . . . .
H30P H -0.2435 0.5398 0.5501 0.098 Uiso 1 1 calc R . . . .
C304 C 0.0362(6) 0.4357(5) 0.7130(3) 0.0434(16) Uani 1 1 d . . . . .
H30C H 0.0986 0.4207 0.7429 0.052 Uiso 1 1 calc R . . . .
H30D H -0.0096 0.4687 0.7384 0.052 Uiso 1 1 calc R . . . .
C305 C -0.0204(7) 0.3492(5) 0.6871(4) 0.058(2) Uani 1 1 d . . . . .
H30A H -0.0878 0.3630 0.6619 0.070 Uiso 1 1 calc R . . . .
H30B H 0.0212 0.3183 0.6580 0.070 Uiso 1 1 calc R . . . .
C306 C -0.0388(9) 0.2884(6) 0.7405(5) 0.076(3) Uani 1 1 d . . . . .
H30I H -0.0749 0.2345 0.7218 0.114 Uiso 1 1 calc R . . . .
H30J H 0.0278 0.2735 0.7651 0.114 Uiso 1 1 calc R . . . .
H30K H -0.0812 0.3182 0.7691 0.114 Uiso 1 1 calc R . . . .
C307 C 0.1580(6) 0.4425(5) 0.6090(3) 0.0431(16) Uani 1 1 d . . . . .
H30L H 0.1168 0.3912 0.5884 0.052 Uiso 1 1 calc R . . . .
H30M H 0.1798 0.4779 0.5745 0.052 Uiso 1 1 calc R . . . .
C308 C 0.2546(7) 0.4097(6) 0.6510(4) 0.065(2) Uani 1 1 d . . . . .
H30Q H 0.2961 0.4610 0.6714 0.078 Uiso 1 1 calc R . . . .
H30R H 0.2330 0.3745 0.6855 0.078 Uiso 1 1 calc R . . . .
C309 C 0.3214(8) 0.3541(7) 0.6131(5) 0.082(3) Uani 1 1 d . . . . .
H30S H 0.3819 0.3348 0.6419 0.122 Uiso 1 1 calc R . . . .
H30T H 0.2812 0.3025 0.5935 0.122 Uiso 1 1 calc R . . . .
H30U H 0.3443 0.3890 0.5794 0.122 Uiso 1 1 calc R . . . .
C501 C 0.6143(5) 0.9102(5) 0.9117(3) 0.0413(15) Uani 1 1 d . . . . .
H50H H 0.6546 0.9590 0.9365 0.050 Uiso 1 1 calc R . . . .
H50I H 0.5794 0.8764 0.9420 0.050 Uiso 1 1 calc R . . . .
C502 C 0.6879(6) 0.8505(6) 0.8820(4) 0.057(2) Uani 1 1 d . . . . .
H50J H 0.7300 0.8862 0.8567 0.068 Uiso 1 1 calc R . . . .
H50K H 0.6470 0.8068 0.8523 0.068 Uiso 1 1 calc R . . . .
C503 C 0.7598(7) 0.8020(7) 0.9317(4) 0.072(3) Uani 1 1 d . . . . .
H50L H 0.8054 0.7646 0.9100 0.107 Uiso 1 1 calc R . . . .
H50M H 0.8017 0.8448 0.9608 0.107 Uiso 1 1 calc R . . . .
H50N H 0.7187 0.7654 0.9564 0.107 Uiso 1 1 calc R . . . .
C504 C 0.5876(6) 1.0279(5) 0.8059(4) 0.053(2) Uani 1 1 d . . . . .
H50A H 0.6200 0.9906 0.7752 0.064 Uiso 1 1 calc R . . . .
H50B H 0.5377 1.0658 0.7803 0.064 Uiso 1 1 calc R . . . .
C505 C 0.6721(7) 1.0872(6) 0.8444(4) 0.062(2) Uani 1 1 d . . . . .
H50F H 0.6403 1.1265 0.8741 0.074 Uiso 1 1 calc R . . . .
H50G H 0.7223 1.0502 0.8705 0.074 Uiso 1 1 calc R . . . .
C506 C 0.7294(9) 1.1430(7) 0.8018(6) 0.093(4) Uani 1 1 d . . . . .
H50C H 0.7824 1.1797 0.8286 0.139 Uiso 1 1 calc R . . . .
H50D H 0.7623 1.1045 0.7729 0.139 Uiso 1 1 calc R . . . .
H50E H 0.6803 1.1808 0.7765 0.139 Uiso 1 1 calc R . . . .
C507 C 0.4426(7) 1.0257(6) 0.9019(4) 0.065(2) Uani 1 1 d . . . . .
H50O H 0.4272 0.9912 0.9384 0.078 Uiso 1 1 calc R . . . .
H50P H 0.4873 1.0766 0.9197 0.078 Uiso 1 1 calc R . . . .
C508 C 0.3448(9) 1.0590(8) 0.8686(5) 0.084(3) Uani 1 1 d . . . . .
H50Q H 0.3019 1.0083 0.8484 0.101 Uiso 1 1 calc R . . . .
H50R H 0.3607 1.0966 0.8337 0.101 Uiso 1 1 calc R . . . .
C509 C 0.2832(8) 1.1101(7) 0.9096(5) 0.077(3) Uani 1 1 d . . . . .
H50S H 0.2199 1.1295 0.8836 0.116 Uiso 1 1 calc R . . . .
H50T H 0.2650 1.0731 0.9436 0.116 Uiso 1 1 calc R . . . .
H50U H 0.3239 1.1616 0.9289 0.116 Uiso 1 1 calc R . . . .
C601 C 0.4965(6) 0.5822(6) 0.6248(4) 0.059(2) Uani 1 1 d . . . . .
H60M H 0.5637 0.5875 0.6086 0.071 Uiso 1 1 calc R . . . .
H60N H 0.4725 0.5200 0.6174 0.071 Uiso 1 1 calc R . . . .
C602 C 0.4212(8) 0.6376(7) 0.5853(4) 0.072(3) Uani 1 1 d . . . . .
H60O H 0.4431 0.7001 0.5938 0.087 Uiso 1 1 calc R . . . .
H60P H 0.3527 0.6299 0.5995 0.087 Uiso 1 1 calc R . . . .
C603 C 0.4088(9) 0.6178(7) 0.5127(4) 0.080(3) Uani 1 1 d . . . . .
H60H H 0.3579 0.6573 0.4908 0.119 Uiso 1 1 calc R . . . .
H60I H 0.4756 0.6268 0.4976 0.119 Uiso 1 1 calc R . . . .
H60J H 0.3850 0.5566 0.5034 0.119 Uiso 1 1 calc R . . . .
C604 C 0.6396(6) 0.6712(5) 0.7283(4) 0.0511(18) Uani 1 1 d . . . . .
H60A H 0.6617 0.6745 0.7753 0.061 Uiso 1 1 calc R . . . .
H60B H 0.6942 0.6410 0.7085 0.061 Uiso 1 1 calc R . . . .
C605 C 0.6304(6) 0.7624(6) 0.7046(4) 0.0533(19) Uani 1 1 d . . . . .
H60K H 0.5827 0.7955 0.7285 0.064 Uiso 1 1 calc R . . . .
H60L H 0.6004 0.7598 0.6586 0.064 Uiso 1 1 calc R . . . .
C606 C 0.7360(6) 0.8115(6) 0.7128(4) 0.059(2) Uani 1 1 d . . . . .
H60C H 0.7267 0.8710 0.6967 0.088 Uiso 1 1 calc R . . . .
H60D H 0.7654 0.8153 0.7584 0.088 Uiso 1 1 calc R . . . .
H60E H 0.7830 0.7795 0.6885 0.088 Uiso 1 1 calc R . . . .
C607 C 0.5625(7) 0.4988(6) 0.7437(5) 0.072(3) Uani 1 1 d . . . . .
H60F H 0.5863 0.5080 0.7902 0.086 Uiso 1 1 calc R . . . .
H60G H 0.5020 0.4576 0.7385 0.086 Uiso 1 1 calc R . . . .
C608 C 0.6504(9) 0.4544(8) 0.7128(9) 0.133(6) Uani 1 1 d . . . . .
H60T H 0.6251 0.4423 0.6666 0.160 Uiso 1 1 calc R . . . .
H60U H 0.7092 0.4970 0.7157 0.160 Uiso 1 1 calc R . . . .
C609 C 0.6868(12) 0.3778(9) 0.7387(8) 0.129(5) Uani 1 1 d . . . . .
H60Q H 0.7417 0.3557 0.7156 0.194 Uiso 1 1 calc R . . . .
H60R H 0.7146 0.3888 0.7841 0.194 Uiso 1 1 calc R . . . .
H60S H 0.6302 0.3339 0.7349 0.194 Uiso 1 1 calc R . . . .
C701 C 0.1078(6) 0.8732(5) 0.4185(3) 0.0465(17) Uani 1 1 d . . . . .
H70A H 0.1084 0.8905 0.3738 0.056 Uiso 1 1 calc R . . . .
H70B H 0.1080 0.8081 0.4187 0.056 Uiso 1 1 calc R . . . .
C702 C 0.0090(6) 0.9047(6) 0.4406(4) 0.0534(19) Uani 1 1 d . . . . .
H70M H -0.0014 0.9668 0.4290 0.064 Uiso 1 1 calc R . . . .
H70N H 0.0162 0.9025 0.4879 0.064 Uiso 1 1 calc R . . . .
C703 C -0.0853(7) 0.8501(7) 0.4111(4) 0.067(2) Uani 1 1 d . . . . .
H70Q H -0.1470 0.8731 0.4269 0.101 Uiso 1 1 calc R . . . .
H70R H -0.0938 0.8530 0.3643 0.101 Uiso 1 1 calc R . . . .
H70S H -0.0762 0.7887 0.4232 0.101 Uiso 1 1 calc R . . . .
C704 C 0.2346(7) 1.0321(5) 0.4513(3) 0.0517(19) Uani 1 1 d . . . . .
H70E H 0.2429 1.0379 0.4056 0.062 Uiso 1 1 calc R . . . .
H70F H 0.1691 1.0603 0.4580 0.062 Uiso 1 1 calc R . . . .
C705 C 0.3251(6) 1.0810(5) 0.4936(4) 0.0508(18) Uani 1 1 d . . . . .
H70C H 0.3169 1.0764 0.5393 0.061 Uiso 1 1 calc R . . . .
H70D H 0.3911 1.0534 0.4870 0.061 Uiso 1 1 calc R . . . .
C706 C 0.3284(9) 1.1776(5) 0.4769(4) 0.070(3) Uani 1 1 d . . . . .
H70G H 0.3864 1.2079 0.5042 0.105 Uiso 1 1 calc R . . . .
H70H H 0.3374 1.1820 0.4318 0.105 Uiso 1 1 calc R . . . .
H70I H 0.2634 1.2049 0.4840 0.105 Uiso 1 1 calc R . . . .
C707 C 0.3403(11) 0.8633(11) 0.4430(8) 0.043(3) Uani 0.578(8) 1 d . U P A 1
H70T H 0.4027 0.8971 0.4634 0.052 Uiso 0.578(8) 1 calc R . P A 1
H70U H 0.3445 0.8035 0.4602 0.052 Uiso 0.578(8) 1 calc R . P A 1
C708 C 0.3438(9) 0.8552(8) 0.3714(5) 0.041(3) Uani 0.578(8) 1 d . . P A 1
H70O H 0.3366 0.9141 0.3529 0.050 Uiso 0.578(8) 1 calc R . P A 1
H70P H 0.2851 0.8174 0.3505 0.050 Uiso 0.578(8) 1 calc R . P A 1
C709 C 0.4450(16) 0.8158(12) 0.3580(9) 0.060(4) Uani 0.578(8) 1 d . . P A 1
H70J H 0.4455 0.8112 0.3115 0.090 Uiso 0.578(8) 1 calc R . P A 1
H70K H 0.5031 0.8537 0.3781 0.090 Uiso 0.578(8) 1 calc R . P A 1
H70L H 0.4517 0.7571 0.3757 0.090 Uiso 0.578(8) 1 calc R . P A 1
C710 C 0.305(2) 0.8592(19) 0.4169(12) 0.060(5) Uani 0.422(8) 1 d . U P A 2
H71F H 0.2802 0.7970 0.4113 0.072 Uiso 0.422(8) 1 calc R . P A 2
H71G H 0.2930 0.8851 0.3741 0.072 Uiso 0.422(8) 1 calc R . P A 2
C711 C 0.406(3) 0.8601(18) 0.4369(11) 0.079(8) Uani 0.422(8) 1 d . . P A 2
H71A H 0.4201 0.8379 0.4809 0.095 Uiso 0.422(8) 1 calc R . P A 2
H71B H 0.4344 0.9211 0.4380 0.095 Uiso 0.422(8) 1 calc R . P A 2
C712 C 0.463(3) 0.799(3) 0.3888(15) 0.107(14) Uani 0.422(8) 1 d . . P A 2
H71C H 0.5373 0.7995 0.4035 0.161 Uiso 0.422(8) 1 calc R . P A 2
H71D H 0.4351 0.7383 0.3882 0.161 Uiso 0.422(8) 1 calc R . P A 2
H71E H 0.4494 0.8213 0.3454 0.161 Uiso 0.422(8) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.7609(4) . ?
Au1 Au3 2.7074(3) . ?
Au1 Au4 2.8228(4) . ?
Au1 Au5 2.8284(4) . ?
Au1 Au6 2.6107(4) . ?
Au1 Ga1 2.5094(8) . ?
Au1 P1 2.296(2) . ?
Au2 Au3 2.8978(4) . ?
Au2 Au6 2.8572(4) . ?
Au2 P2 2.312(2) . ?
Au3 Au4 2.8848(4) . ?
Au3 Au6 2.8664(4) . ?
Au3 Ga2 2.5642(7) . ?
Au3 P3 2.3097(16) . ?
Au4 Au5 2.7762(3) . ?
Au4 Au6 2.9635(4) . ?
Au4 Au7 2.6534(4) . ?
Au4 Ga2 2.4277(7) . ?
Au4 Ga3 2.4243(7) . ?
Au5 Au6 3.0357(4) . ?
Au5 Ga1 2.6460(8) . ?
Au5 Ga3 2.6134(7) . ?
Au5 P5 2.3379(17) . ?
Au6 Ga1 3.0451(9) . ?
Au6 P6 2.2710(18) . ?
Au7 Ga2 2.7754(8) . ?
Au7 Ga3 2.7936(7) . ?
Au7 P7 2.3035(18) . ?
Ga1 Cl11 2.266(2) . ?
Ga1 Cl12 2.258(3) . ?
Ga2 Cl21 2.2195(19) . ?
Ga2 Cl22 2.2400(18) . ?
Ga3 Cl31 2.2117(19) . ?
Ga3 Cl32 2.2154(19) . ?
P1 C101 1.823(10) . ?
P1 C104 1.670(14) . ?
P1 C107 2.011(19) . ?
P1 C109 1.952(17) . ?
P1 C112 1.79(2) . ?
P2 C201 1.799(12) . ?
P2 C206 1.816(8) . ?
P2 C209 1.820(9) . ?
P3 C301 1.817(7) . ?
P3 C304 1.826(7) . ?
P3 C307 1.826(7) . ?
P5 C501 1.833(7) . ?
P5 C504 1.817(8) . ?
P5 C507 1.840(8) . ?
P6 C601 1.812(8) . ?
P6 C604 1.831(8) . ?
P6 C607 1.856(9) . ?
P7 C701 1.825(8) . ?
P7 C704 1.811(8) . ?
P7 C707 1.845(15) . ?
P7 C710 1.81(3) . ?
C101 C102 1.460(14) . ?
C102 C103 1.537(14) . ?
C104 C105 1.41(2) . ?
C105 C106 1.80(2) . ?
C106 C108 1.47(2) . ?
C107 C108 1.59(2) . ?
C109 C110 1.54(2) . ?
C110 C111 1.471(18) . ?
C111 C113 1.66(3) . ?
C112 C113 1.44(3) . ?
C201 C202 1.34(2) . ?
C201 C204 1.21(2) . ?
C202 C203 1.56(4) . ?
C204 C205 1.54(5) . ?
C206 C207 1.526(12) . ?
C207 C208 1.515(13) . ?
C209 C210 1.507(12) . ?
C210 C211 1.525(13) . ?
C301 C302 1.518(10) . ?
C302 C303 1.518(10) . ?
C304 C305 1.540(10) . ?
C305 C306 1.525(11) . ?
C307 C308 1.534(11) . ?
C308 C309 1.515(12) . ?
C501 C502 1.519(10) . ?
C502 C503 1.522(11) . ?
C504 C505 1.530(10) . ?
C505 C506 1.520(13) . ?
C507 C508 1.473(13) . ?
C508 C509 1.476(12) . ?
C601 C602 1.486(12) . ?
C602 C603 1.533(12) . ?
C604 C605 1.491(11) . ?
C605 C606 1.541(11) . ?
C607 C608 1.554(16) . ?
C608 C609 1.367(17) . ?
C701 C702 1.515(11) . ?
C702 C703 1.516(11) . ?
C704 C705 1.536(11) . ?
C705 C706 1.524(11) . ?
C707 C708 1.517(19) . ?
C708 C709 1.52(2) . ?
C710 C711 1.33(4) . ?
C711 C712 1.62(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au4 117.850(11) . . ?
Au2 Au1 Au5 125.634(12) . . ?
Au3 Au1 Au2 63.991(10) . . ?
Au3 Au1 Au4 62.844(10) . . ?
Au3 Au1 Au5 115.393(11) . . ?
Au4 Au1 Au5 58.846(8) . . ?
Au6 Au1 Au2 64.197(10) . . ?
Au6 Au1 Au3 65.199(10) . . ?
Au6 Au1 Au4 65.970(9) . . ?
Au6 Au1 Au5 67.715(11) . . ?
Ga1 Au1 Au2 83.47(2) . . ?
Ga1 Au1 Au3 134.88(2) . . ?
Ga1 Au1 Au4 114.33(2) . . ?
Ga1 Au1 Au5 59.07(2) . . ?
Ga1 Au1 Au6 72.96(2) . . ?
P1 Au1 Au2 111.89(6) . . ?
P1 Au1 Au3 105.30(7) . . ?
P1 Au1 Au4 111.08(6) . . ?
P1 Au1 Au5 119.25(6) . . ?
P1 Au1 Au6 170.47(7) . . ?
P1 Au1 Ga1 115.87(8) . . ?
Au1 Au2 Au3 57.107(9) . . ?
Au1 Au2 Au6 55.348(9) . . ?
Au6 Au2 Au3 59.740(9) . . ?
P2 Au2 Au1 141.05(5) . . ?
P2 Au2 Au3 158.35(6) . . ?
P2 Au2 Au6 136.08(6) . . ?
Au1 Au3 Au2 58.902(10) . . ?
Au1 Au3 Au4 60.534(9) . . ?
Au1 Au3 Au6 55.771(8) . . ?
Au4 Au3 Au2 111.596(11) . . ?
Au6 Au3 Au2 59.426(9) . . ?
Au6 Au3 Au4 62.031(9) . . ?
Ga2 Au3 Au1 106.589(19) . . ?
Ga2 Au3 Au2 164.044(19) . . ?
Ga2 Au3 Au4 52.513(17) . . ?
Ga2 Au3 Au6 107.884(19) . . ?
P3 Au3 Au1 150.72(4) . . ?
P3 Au3 Au2 97.99(4) . . ?
P3 Au3 Au4 148.23(4) . . ?
P3 Au3 Au6 130.93(5) . . ?
P3 Au3 Ga2 97.85(5) . . ?
Au1 Au4 Au3 56.622(8) . . ?
Au1 Au4 Au6 53.572(8) . . ?
Au3 Au4 Au6 58.679(9) . . ?
Au5 Au4 Au1 60.677(9) . . ?
Au5 Au4 Au3 111.492(11) . . ?
Au5 Au4 Au6 63.764(9) . . ?
Au7 Au4 Au1 166.845(12) . . ?
Au7 Au4 Au3 121.039(11) . . ?
Au7 Au4 Au5 126.253(12) . . ?
Au7 Au4 Au6 138.336(12) . . ?
Ga2 Au4 Au1 107.00(2) . . ?
Ga2 Au4 Au3 56.942(18) . . ?
Ga2 Au4 Au5 167.62(2) . . ?
Ga2 Au4 Au6 108.77(2) . . ?
Ga2 Au4 Au7 66.044(19) . . ?
Ga3 Au4 Au1 117.882(18) . . ?
Ga3 Au4 Au3 169.318(19) . . ?
Ga3 Au4 Au5 59.880(17) . . ?
Ga3 Au4 Au6 110.649(19) . . ?
Ga3 Au4 Au7 66.580(17) . . ?
Ga3 Au4 Ga2 132.14(2) . . ?
Au1 Au5 Au6 52.728(8) . . ?
Au4 Au5 Au1 60.477(9) . . ?
Au4 Au5 Au6 61.121(8) . . ?
Ga1 Au5 Au1 54.442(19) . . ?
Ga1 Au5 Au4 111.54(2) . . ?
Ga1 Au5 Au6 64.39(2) . . ?
Ga3 Au5 Au1 111.494(17) . . ?
Ga3 Au5 Au4 53.359(17) . . ?
Ga3 Au5 Au6 103.415(18) . . ?
Ga3 Au5 Ga1 164.89(2) . . ?
P5 Au5 Au1 141.21(5) . . ?
P5 Au5 Au4 152.13(5) . . ?
P5 Au5 Au6 141.76(5) . . ?
P5 Au5 Ga1 95.72(5) . . ?
P5 Au5 Ga3 99.36(5) . . ?
Au1 Au6 Au2 60.455(10) . . ?
Au1 Au6 Au3 59.030(10) . . ?
Au1 Au6 Au4 60.458(9) . . ?
Au1 Au6 Au5 59.557(9) . . ?
Au1 Au6 Ga1 51.988(19) . . ?
Au2 Au6 Au3 60.834(10) . . ?
Au2 Au6 Au4 110.489(11) . . ?
Au2 Au6 Au5 115.043(11) . . ?
Au2 Au6 Ga1 72.980(18) . . ?
Au3 Au6 Au4 59.290(9) . . ?
Au3 Au6 Au5 104.871(10) . . ?
Au3 Au6 Ga1 109.15(2) . . ?
Au4 Au6 Au5 55.115(9) . . ?
Au4 Au6 Ga1 96.516(19) . . ?
Au5 Au6 Ga1 51.589(16) . . ?
P6 Au6 Au1 173.17(5) . . ?
P6 Au6 Au2 122.67(6) . . ?
P6 Au6 Au3 127.67(5) . . ?
P6 Au6 Au4 120.43(6) . . ?
P6 Au6 Au5 114.77(5) . . ?
P6 Au6 Ga1 121.92(5) . . ?
Au4 Au7 Ga2 53.069(15) . . ?
Au4 Au7 Ga3 52.779(16) . . ?
Ga2 Au7 Ga3 105.57(2) . . ?
P7 Au7 Au4 168.98(5) . . ?
P7 Au7 Ga2 122.15(5) . . ?
P7 Au7 Ga3 131.90(5) . . ?
Au1 Ga1 Au5 66.48(2) . . ?
Au1 Ga1 Au6 55.053(16) . . ?
Au5 Ga1 Au6 64.021(19) . . ?
Cl11 Ga1 Au1 120.12(8) . . ?
Cl11 Ga1 Au5 118.59(8) . . ?
Cl11 Ga1 Au6 173.94(8) . . ?
Cl12 Ga1 Au1 133.09(7) . . ?
Cl12 Ga1 Au5 119.90(8) . . ?
Cl12 Ga1 Au6 84.64(7) . . ?
Cl12 Ga1 Cl11 98.00(11) . . ?
Au3 Ga2 Au7 129.11(3) . . ?
Au4 Ga2 Au3 70.545(19) . . ?
Au4 Ga2 Au7 60.887(18) . . ?
Cl21 Ga2 Au3 115.48(6) . . ?
Cl21 Ga2 Au4 120.59(6) . . ?
Cl21 Ga2 Au7 102.04(6) . . ?
Cl21 Ga2 Cl22 103.87(9) . . ?
Cl22 Ga2 Au3 111.51(6) . . ?
Cl22 Ga2 Au4 129.92(7) . . ?
Cl22 Ga2 Au7 89.88(6) . . ?
Au4 Ga3 Au5 66.760(19) . . ?
Au4 Ga3 Au7 60.641(17) . . ?
Au5 Ga3 Au7 127.19(3) . . ?
Cl31 Ga3 Au4 127.95(6) . . ?
Cl31 Ga3 Au5 113.74(6) . . ?
Cl31 Ga3 Au7 102.00(6) . . ?
Cl31 Ga3 Cl32 103.77(8) . . ?
Cl32 Ga3 Au4 124.47(6) . . ?
Cl32 Ga3 Au5 113.08(5) . . ?
Cl32 Ga3 Au7 93.33(5) . . ?
C101 P1 Au1 115.2(3) . . ?
C101 P1 C107 110.1(7) . . ?
C101 P1 C109 89.4(5) . . ?
C104 P1 Au1 127.9(6) . . ?
C104 P1 C101 105.1(7) . . ?
C104 P1 C109 99.8(7) . . ?
C107 P1 Au1 104.9(5) . . ?
C109 P1 Au1 111.9(4) . . ?
C112 P1 Au1 112.7(6) . . ?
C112 P1 C101 117.2(8) . . ?
C112 P1 C107 93.7(9) . . ?
C201 P2 Au2 119.8(5) . . ?
C201 P2 C206 102.7(6) . . ?
C201 P2 C209 104.9(5) . . ?
C206 P2 Au2 113.2(3) . . ?
C206 P2 C209 103.0(4) . . ?
C209 P2 Au2 111.6(3) . . ?
C301 P3 Au3 118.5(2) . . ?
C301 P3 C304 105.0(3) . . ?
C301 P3 C307 103.7(3) . . ?
C304 P3 Au3 112.5(2) . . ?
C304 P3 C307 104.9(3) . . ?
C307 P3 Au3 111.1(2) . . ?
C501 P5 Au5 115.4(2) . . ?
C501 P5 C507 102.3(4) . . ?
C504 P5 Au5 116.3(2) . . ?
C504 P5 C501 104.9(4) . . ?
C504 P5 C507 108.4(4) . . ?
C507 P5 Au5 108.4(3) . . ?
C601 P6 Au6 114.3(3) . . ?
C601 P6 C604 107.2(4) . . ?
C601 P6 C607 103.2(5) . . ?
C604 P6 Au6 116.1(3) . . ?
C604 P6 C607 100.7(4) . . ?
C607 P6 Au6 113.8(3) . . ?
C701 P7 Au7 112.0(2) . . ?
C701 P7 C707 110.3(5) . . ?
C704 P7 Au7 118.5(2) . . ?
C704 P7 C701 106.3(4) . . ?
C704 P7 C707 107.4(6) . . ?
C707 P7 Au7 102.2(6) . . ?
C710 P7 Au7 118.6(9) . . ?
C710 P7 C701 91.0(9) . . ?
C710 P7 C704 106.7(10) . . ?
C102 C101 P1 116.4(7) . . ?
C101 C102 C103 112.5(10) . . ?
C105 C104 P1 113.0(13) . . ?
C104 C105 C106 108.7(14) . . ?
C108 C107 P1 110.7(12) . . ?
C106 C108 C107 98.5(15) . . ?
C110 C109 P1 111.6(10) . . ?
C111 C110 C109 107.6(14) . . ?
C113 C112 P1 111.2(16) . . ?
C112 C113 C111 112.4(19) . . ?
C202 C201 P2 124.4(13) . . ?
C204 C201 P2 140.9(17) . . ?
C201 C202 C203 117.7(19) . . ?
C201 C204 C205 124(3) . . ?
C207 C206 P2 114.2(6) . . ?
C208 C207 C206 111.9(8) . . ?
C210 C209 P2 116.1(6) . . ?
C209 C210 C211 111.5(9) . . ?
C302 C301 P3 114.5(4) . . ?
C301 C302 C303 112.4(6) . . ?
C305 C304 P3 117.1(5) . . ?
C306 C305 C304 112.5(7) . . ?
C308 C307 P3 113.0(5) . . ?
C309 C308 C307 112.5(7) . . ?
C502 C501 P5 113.0(5) . . ?
C501 C502 C503 113.0(7) . . ?
C505 C504 P5 116.4(6) . . ?
C506 C505 C504 112.6(8) . . ?
C508 C507 P5 115.2(6) . . ?
C507 C508 C509 115.1(9) . . ?
C602 C601 P6 117.5(6) . . ?
C601 C602 C603 115.3(8) . . ?
C605 C604 P6 113.6(5) . . ?
C604 C605 C606 111.9(7) . . ?
C608 C607 P6 115.7(8) . . ?
C609 C608 C607 116.4(14) . . ?
C702 C701 P7 114.0(5) . . ?
C701 C702 C703 112.7(7) . . ?
C705 C704 P7 113.1(5) . . ?
C706 C705 C704 110.4(7) . . ?
C708 C707 P7 116.6(11) . . ?
C707 C708 C709 111.0(12) . . ?
C711 C710 P7 117(2) . . ?
C710 C711 C712 110(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluenen, pentane'
####################################################################### 
# 
# 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_1008g4
_database_code_depnum_ccdc_archive 'CCDC 2226517'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_audit_creation_date             2021-11-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6427)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C90 H207 Au13 Cl11 Ga6 P9'
_chemical_formula_sum            'C90 H207 Au13 Cl11 Ga6 P9'
_chemical_formula_weight         4937.11
_chemical_melting_point          ?
_chemical_oxdiff_formula         C90H204Au13Cl11Ga6P9
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   17.9369(2)
_cell_length_b                   29.9431(3)
_cell_length_c                   26.0812(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.9143(12)
_cell_angle_gamma                90
_cell_volume                     13798.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    38632
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      77.1620
_cell_measurement_theta_min      2.7550
_shelx_estimated_absorpt_T_max   0.548
_shelx_estimated_absorpt_T_min   0.098
_exptl_absorpt_coefficient_mu    29.702
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.110
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.116a (Rigaku Oxford Diffraction, 2021)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.377
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             9128
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 0 0.0346
0 2 -1 0.0202
1 0 2 0.0568
-1 0 1 0.0074
1 0 -1 0.0156
-1 1 -2 0.0458

_exptl_crystal_size_max          0.146
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.023
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0008 -1.0000 0.0006 -0.0108 0.0042 -0.0501
0.0019 1.9990 -1.0019 -0.0310 0.0170 0.1136
0.9989 0.0006 2.0038 0.1556 0.0199 -0.0315
-1.0000 0.0025 0.9982 0.0021 -0.0965 -0.0086
1.0000 -0.0025 -0.9982 -0.0021 0.0965 0.0086
-0.9982 0.9994 -2.0044 -0.1448 -0.0242 0.0816

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            115496
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        64.999
_diffrn_reflns_theta_max         64.999
_diffrn_reflns_theta_min         2.266
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  23.00   0.50    3.00    --  -49.70  17.00-118.00   96
  2  ω   -122.00 -45.00   0.50    3.00    --  -49.70 -17.00  72.00  154
  3  ω    -22.00  25.00   0.50    3.00    --   49.70 -17.00  72.00   94
  4  ω     45.00 122.00   0.50    3.00    --   49.70  17.00-118.00  154
  5  ω   -161.00 -85.00   0.50   10.00    --  -90.00 -17.00  72.00  152
  6  ω    107.00 178.00   0.50   10.00    --  111.50  17.00-118.00  142
  7  ω    -26.00  22.00   0.50    3.00    --  -49.70  19.00-180.00   96
  8  ω    -26.00  22.00   0.50    3.00    --  -49.70  19.00 -90.00   96
  9  ω     34.00  94.00   0.50    3.00    --   49.70-125.00 -90.00  120
 10  ω    -22.00  26.00   0.50    3.00    --   49.70 -19.00 -30.00   96
 11  ω    -51.00 -18.00   0.50   10.00    --  -90.00  45.00-120.00   66
 12  ω    -71.00 -18.00   0.50   10.00    --  -90.00  61.00  30.00  106
 13  ω    -51.00 -18.00   0.50   10.00    --  -90.00  45.00-150.00   66
 14  ω     41.00  71.00   0.50   10.00    --  111.50 -61.00-150.00   60
 15  ω     41.00  71.00   0.50   10.00    --  111.50 -61.00 -90.00   60
 16  ω     41.00 106.00   0.50   10.00    --  111.50 -77.00 -30.00  130
 17  ω     63.00 118.00   0.50   10.00    --  111.50   0.00-120.00  110
 18  ω     63.00 118.00   0.50   10.00    --  111.50   0.00 -90.00  110
 19  ω     41.00 111.00   0.50   10.00    --  111.50-125.00 120.00  140
 20  ω     41.00  71.00   0.50   10.00    --  111.50 -61.00-180.00   60
 21  ω     63.00 118.00   0.50   10.00    --  111.50   0.00   0.00  110
 22  ω     41.00 106.00   0.50   10.00    --  111.50 -94.00 -30.00  130
 23  ω     41.00  71.00   0.50   10.00    --  111.50 -61.00 150.00   60
 24  ω     41.00 111.00   0.50   10.00    --  111.50-125.00   0.00  140
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0503863000
_diffrn_orient_matrix_UB_12      0.0107820000
_diffrn_orient_matrix_UB_13      0.0525445000
_diffrn_orient_matrix_UB_21      0.0710745000
_diffrn_orient_matrix_UB_22      -0.0043134000
_diffrn_orient_matrix_UB_23      -0.0254774000
_diffrn_orient_matrix_UB_31      -0.0046198000
_diffrn_orient_matrix_UB_32      0.0501270000
_diffrn_orient_matrix_UB_33      -0.0134176000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17730
_reflns_number_total             23236
_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       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.744
_refine_diff_density_min         -1.703
_refine_diff_density_rms         0.203
_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     1147
_refine_ls_number_reflns         23236
_refine_ls_number_restraints     549
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0526
_refine_ls_restrained_S_all      1.060
_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)+(0.0597P)²+159.6936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1436
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C106-C107 = C106-C105 = C108-C109 = C109-C110 = C101-C102 = C102-C103 = C103-
 C104
 1.54 with sigma of 0.02
 C406-C405 = C407-C406
 1.54 with sigma of 0.02
 C110-C108
 2.54 with sigma of 0.04
 C802-C804
 2.54 with sigma of 0.04
 C402-C404
 2.54 with sigma of 0.04
 C104-C102 \\sim C103-C101
 with sigma of 0.04
 C104-C103 \\sim C103-C102 \\sim C102-C101
 with sigma of 0.02
 C901-C902 \\sim C902-C903 \\sim C903-C904
 with sigma of 0.02
 C901-C903 \\sim C902-C904
 with sigma of 0.04
 C301-C302 \\sim C302-C303 \\sim C303-C304
 with sigma of 0.02
 C301-C303 \\sim C302-C304
 with sigma of 0.04
 C604-C603 \\sim C603-C602 \\sim C602-C601
 with sigma of 0.02
 C604-C602 \\sim C603-C601
 with sigma of 0.04
 C110-C109 \\sim C109-C108
 with sigma of 0.02
 C204-C202 \\sim C203-C201
 with sigma of 0.04
 C204-C203 \\sim C203-C202 \\sim C202-C201
 with sigma of 0.02
 C507-C506 \\sim C506-C505
 with sigma of 0.02
 C704-C703 \\sim C703-C702 \\sim C702-C701
 with sigma of 0.02
 C704-C702 \\sim C703-C701
 with sigma of 0.04
 C802-C803 \\sim C803-C804
 with sigma of 0.02
 C402-C403 \\sim C403-C404
 with sigma of 0.02
 C508-C509 \\sim C509-C510
 with sigma of 0.02
 P7-C704 \\sim P1-C104 \\sim P3-C304 \\sim P2-C204 \\sim P9-C904 \\sim P6-C604
\\sim P5-C504
 with sigma of 0.02
 C504-C503 \\sim C503-C502 \\sim C502-C501
 with sigma of 0.02
 C504-C502 \\sim C503-C501
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C709 \\sim C711: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C710 \\sim C712: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C101 \\sim C102 \\sim C103 \\sim C104: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C901 \\sim C902 \\sim C903 \\sim C904: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C301 \\sim C302 \\sim C303 \\sim C304: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C601 \\sim C602 \\sim C603 \\sim C604: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C108 \\sim C109 \\sim C110: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C201 \\sim C202 \\sim C203 \\sim C204: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C505 \\sim C506 \\sim C507: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C701 \\sim C702 \\sim C703 \\sim C704: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C801 \\sim C802 \\sim C803 \\sim C804: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C401 \\sim C402 \\sim C403 \\sim C404: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C402 \\sim C403 \\sim C404: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C409 \\sim C411: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C410 \\sim C412: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C305 \\sim C306 \\sim C307: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C105 \\sim C106 \\sim C107: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C508 \\sim C509 \\sim C510: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C501 \\sim C502 \\sim C503 \\sim C504: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(C101) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C103) \\sim Ueq,
Uanis(C104) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C610) \\sim Ueq, Uanis(C609) \\sim Ueq, Uanis(C608) \\sim Ueq,
Uanis(C607) \\sim Ueq, Uanis(C606) \\sim Ueq, Uanis(C605) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C505) \\sim Ueq, Uanis(C506) \\sim Ueq, Uanis(C507) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C308) \\sim Ueq, Uanis(C310) \\sim Ueq, Uanis(C309) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C411) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C711) \\sim Ueq, Uanis(C712) \\sim Ueq, Uanis(C710) \\sim Ueq,
Uanis(C709) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C110) \\sim Ueq, Uanis(C109) \\sim Ueq, Uanis(C108) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C407) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C405) \\sim Ueq, Uanis(C406) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C903) \\sim Ueq, Uanis(C404) \\sim Ueq, Uanis(C104) \\sim Ueq,
Uanis(C904) \\sim Ueq, Uanis(C403) \\sim Ueq, Uanis(C103) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C508) \\sim Ueq, Uanis(C509) \\sim Ueq, Uanis(C510) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C201, C202, C203, C204
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C508, C509, C510
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C501, C502, C503, C504
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H40S)=Sof(H40T)=Sof(C411)=Sof(H41E)=Sof(H41D)=Sof(C412)=Sof(H41G)=
 Sof(H41F)=Sof(H41H)=Sof(H70S)=Sof(H70T)=Sof(C711)=Sof(H71E)=Sof(H71D)=
 Sof(C712)=Sof(H71G)=Sof(H71F)=Sof(H71H)=1-FVAR(1)
 Sof(H40Q)=Sof(H40R)=Sof(C409)=Sof(H40V)=Sof(H40U)=Sof(C410)=Sof(H41A)=
 Sof(H41C)=Sof(H41B)=Sof(H70Q)=Sof(H70R)=Sof(C709)=Sof(H70V)=Sof(H70U)=
 Sof(C710)=Sof(H71B)=Sof(H71A)=Sof(H71C)=FVAR(1)
6.a Free rotating group:
 C104(C101,C102,C103), C110(C108,C109), C204(C201,C202,C203), C301(C302,C303,
 C304), C402(C403,C404), C504(C501,C502,C503), C508(C509,C510), C604(C601,C602,
 C603), C704(C701,C702,C703), C802(C803,C804), C901(C902,C903,C904)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10E,H10D), C102(H10G,H10F), C103(H10I,H10H), C105(H10J,H10K), C106(H10L,
 H10M), C108(H10Q,H10R), C109(H10S,H10T), C201(H20G,H20F), C202(H20I,H20H),
 C203(H20K,H20J), C205(H20L,H20M), C206(H20A,H20B), C208(H20Q,H20R), C209(H20S,
 H20T), C301(H30A,H30B), C302(H30C,H30D), C303(H30E,H30F), C305(H30J,H30K),
 C306(H30L,H30M), C308(H30Q,H30R), C309(H30S,H30T), C401(H40A,H40B), C402(H40C,
 H40D), C403(H40E,H40F), C405(H40J,H40K), C406(H40L,H40M), C408(H40Q,H40R),
 C408(H40S,H40T), C409(H40V,H40U), C411(H41E,H41D), C501(H50E,H50D), C502(H50G,
 H50F), C503(H50I,H50H), C505(H50J,H50K), C506(H50L,H50M), C508(H50R,H50Q),
 C509(H50T,H50S), C601(H60D,H60E), C602(H60F,H60G), C603(H60H,H60I), C605(H60J,
 H60K), C606(H60L,H60M), C608(H60Q,H60R), C609(H60S,H60T), C701(H70E,H70D),
 C702(H70G,H70F), C703(H70I,H70H), C705(H70J,H70K), C706(H70M,H70L), C708(H70Q,
 H70R), C708(H70S,H70T), C709(H70V,H70U), C711(H71E,H71D), C801(H80A,H80B),
 C802(H80C,H80D), C803(H80E,H80F), C805(H80J,H80K), C806(H80L,H80M), C808(H80Q,
 H80R), C809(H80S,H80T), C901(H90B,H90A), C902(H90D,H90C), C903(H90F,H90E),
 C905(H90J,H90K), C906(H90L,H90M), C908(H90Q,H90R), C909(H90S,H90T)
6.c Me refined with riding coordinates:
 C104(H10B,H10C,H10A), C107(H10O,H10N,H10P), C110(H11B,H11A,H11C), C204(H20D,
 H20E,H20C), C207(H20N,H20P,H20O), C210(H21A,H21B,H21C), C304(H30H,H30I,H30G),
 C307(H30O,H30P,H30N), C310(H31B,H31A,H31C), C404(H40G,H40I,H40H), C407(H40N,
 H40P,H40O), C410(H41A,H41C,H41B), C412(H41G,H41F,H41H), C510(H51B,H51A,H51C),
 C604(H60B,H60A,H60C), C607(H60O,H60P,H60N), C610(H61B,H61A,H61C), C704(H70B,
 H70C,H70A), C707(H70O,H70N,H70P), C710(H71B,H71A,H71C), C712(H71G,H71F,H71H),
 C804(H80G,H80I,H80H), C807(H80N,H80O,H80P), C810(H81A,H81B,H81C), C904(H90H,
 H90G,H90I), C907(H90N,H90O,H90P), C910(H91B,H91C,H91A)
6.d Idealised Me refined as rotating group:
 C504(H50B,H50C,H50A), C507(H50O,H50N,H50P)
;
_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 0.31013(4) 0.75818(2) 0.55374(3) 0.06715(17) Uani 1 1 d . . . . .
Au2 Au 0.17000(3) 0.77339(2) 0.51171(2) 0.05412(14) Uani 1 1 d . . . . .
Au3 Au 0.18901(4) 0.63540(2) 0.41090(3) 0.06127(16) Uani 1 1 d . . . . .
Au4 Au 0.28532(4) 0.83663(2) 0.36493(3) 0.07171(19) Uani 1 1 d . . . . .
Au5 Au 0.30321(3) 0.60496(2) 0.48879(3) 0.05949(16) Uani 1 1 d . . . . .
Au6 Au 0.17661(4) 0.70651(2) 0.59102(2) 0.06446(17) Uani 1 1 d . . . . .
Au7 Au 0.21429(4) 0.86214(2) 0.54159(3) 0.06438(17) Uani 1 1 d . . . . .
Au8 Au 0.41458(4) 0.85380(2) 0.43626(3) 0.06598(18) Uani 1 1 d . . . . .
Au9 Au 0.44348(3) 0.69751(2) 0.38395(2) 0.05520(15) Uani 1 1 d . . . . .
Au10 Au 0.32409(3) 0.68080(2) 0.43164(2) 0.05058(14) Uani 1 1 d . . . . .
Au11 Au 0.36453(3) 0.76656(2) 0.41645(2) 0.05174(14) Uani 1 1 d . . . . .
Au12 Au 0.28059(4) 0.82384(2) 0.46829(2) 0.05656(15) Uani 1 1 d . . . . .
Au13 Au 0.22358(3) 0.68435(2) 0.50111(2) 0.05238(14) Uani 1 1 d . . . . .
Ga1 Ga 0.23115(9) 0.74635(5) 0.43361(6) 0.0512(4) Uani 1 1 d . . . . .
Ga2 Ga 0.40358(11) 0.61544(6) 0.42022(8) 0.0647(5) Uani 1 1 d . . . . .
Ga3 Ga 0.21686(11) 0.62374(6) 0.56473(7) 0.0633(5) Uani 1 1 d . . . . .
Ga4 Ga 0.18107(11) 0.79567(7) 0.60644(7) 0.0655(5) Uani 1 1 d . . . . .
Ga5 Ga 0.30838(14) 0.90408(6) 0.48521(9) 0.0770(6) Uani 1 1 d . . . . .
Ga6 Ga 0.48733(11) 0.78555(6) 0.39274(8) 0.0649(5) Uani 1 1 d . . . . .
Cl11 Cl 0.1476(2) 0.74569(14) 0.35788(14) 0.0688(9) Uani 1 1 d . . . . .
Cl21 Cl 0.5176(3) 0.59169(17) 0.4582(2) 0.0996(16) Uani 1 1 d . . . . .
Cl22 Cl 0.3741(3) 0.56622(17) 0.3561(2) 0.1074(18) Uani 1 1 d . . . . .
Cl31 Cl 0.2923(4) 0.60004(19) 0.6365(2) 0.1069(16) Uani 1 1 d . . . . .
Cl32 Cl 0.1183(2) 0.57754(13) 0.55513(18) 0.0791(11) Uani 1 1 d . . . . .
Cl41 Cl 0.2769(3) 0.80405(18) 0.67368(18) 0.0974(14) Uani 1 1 d . . . . .
Cl42 Cl 0.0849(3) 0.81483(18) 0.64725(19) 0.0976(15) Uani 1 1 d . . . . .
Cl51 Cl 0.3802(3) 0.94914(15) 0.5421(2) 0.0953(14) Uani 1 1 d . . . . .
Cl52 Cl 0.2545(4) 0.95443(17) 0.4267(2) 0.124(2) Uani 1 1 d . . . . .
Cl61 Cl 0.5030(3) 0.80995(14) 0.31402(17) 0.0863(13) Uani 1 1 d . . . . .
Cl62 Cl 0.6046(3) 0.78184(15) 0.4390(2) 0.0921(13) Uani 1 1 d . . . . .
P1 P 0.4358(3) 0.75004(18) 0.5870(2) 0.0868(14) Uani 1 1 d D . . . .
P2 P 0.0431(2) 0.78087(14) 0.47144(17) 0.0665(10) Uani 1 1 d D . . . .
P3 P 0.1122(3) 0.60081(17) 0.3439(2) 0.0857(13) Uani 1 1 d D . . . .
P4 P 0.2353(3) 0.8528(2) 0.2813(2) 0.0955(16) Uani 1 1 d . . . . .
P5 P 0.3410(3) 0.53374(14) 0.5187(2) 0.0773(12) Uani 1 1 d D . . . .
P6 P 0.1247(3) 0.68779(17) 0.66484(18) 0.0864(14) Uani 1 1 d D . . . .
P7 P 0.1717(4) 0.92101(16) 0.5873(2) 0.0939(16) Uani 1 1 d D . . . .
P8 P 0.5077(3) 0.90868(15) 0.4428(2) 0.0907(16) Uani 1 1 d . . . . .
P9 P 0.5264(2) 0.67476(14) 0.33016(17) 0.0677(11) Uani 1 1 d D . . . .
C104 C 0.4156(19) 0.6348(8) 0.7366(9) 0.226(11) Uani 1 1 d DG U . . .
H10B H 0.4337 0.6288 0.7736 0.339 Uiso 1 1 calc R U . . .
H10C H 0.3602 0.6367 0.7302 0.339 Uiso 1 1 calc R U . . .
H10A H 0.4317 0.6107 0.7156 0.339 Uiso 1 1 calc R U . . .
C101 C 0.4571(15) 0.7348(6) 0.6521(8) 0.135(6) Uani 1 1 d DG U . . .
H10E H 0.5128 0.7333 0.6621 0.162 Uiso 1 1 calc R U . . .
H10D H 0.4391 0.7588 0.6731 0.162 Uiso 1 1 calc R U . . .
C102 C 0.4243(13) 0.6909(6) 0.6668(6) 0.141(6) Uani 1 1 d DG U . . .
H10G H 0.3684 0.6928 0.6593 0.169 Uiso 1 1 calc R U . . .
H10F H 0.4398 0.6669 0.6448 0.169 Uiso 1 1 calc R U . . .
C103 C 0.4483(14) 0.6788(7) 0.7218(6) 0.154(7) Uani 1 1 d DG U . . .
H10I H 0.4328 0.7028 0.7439 0.185 Uiso 1 1 calc R U . . .
H10H H 0.5042 0.6769 0.7293 0.185 Uiso 1 1 calc R U . . .
C105 C 0.4853(14) 0.7126(14) 0.5507(11) 0.175(10) Uani 1 1 d D U . . .
H10J H 0.4631 0.6825 0.5520 0.210 Uiso 1 1 calc R U . . .
H10K H 0.4758 0.7223 0.5138 0.210 Uiso 1 1 calc R U . . .
C106 C 0.5716(14) 0.7088(13) 0.5686(12) 0.186(10) Uani 1 1 d D U . . .
H10L H 0.5936 0.7388 0.5655 0.223 Uiso 1 1 calc R U . . .
H10M H 0.5806 0.7011 0.6061 0.223 Uiso 1 1 calc R U . . .
C107 C 0.616(2) 0.6762(13) 0.5416(13) 0.206(12) Uani 1 1 d D U . . .
H10O H 0.6692 0.6776 0.5573 0.310 Uiso 1 1 calc R U . . .
H10N H 0.5965 0.6459 0.5455 0.310 Uiso 1 1 calc R U . . .
H10P H 0.6095 0.6838 0.5046 0.310 Uiso 1 1 calc R U . . .
C110 C 0.494(2) 0.8658(11) 0.6472(12) 0.202(15) Uani 1 1 d DG U . . .
H11B H 0.4643 0.8911 0.6561 0.303 Uiso 1 1 calc R U . . .
H11A H 0.5050 0.8455 0.6770 0.303 Uiso 1 1 calc R U . . .
H11C H 0.5419 0.8767 0.6383 0.303 Uiso 1 1 calc R U . . .
C108 C 0.493(2) 0.8007(10) 0.5846(14) 0.203(14) Uani 1 1 d DG U . . .
H10Q H 0.5421 0.7975 0.6087 0.244 Uiso 1 1 calc R U . . .
H10R H 0.5040 0.8051 0.5490 0.244 Uiso 1 1 calc R U . . .
C109 C 0.4495(15) 0.8408(11) 0.6005(13) 0.188(13) Uani 1 1 d DG U . . .
H10S H 0.4010 0.8303 0.6094 0.226 Uiso 1 1 calc R U . . .
H10T H 0.4378 0.8615 0.5707 0.226 Uiso 1 1 calc R U . . .
C204 C -0.2362(6) 0.8132(9) 0.5050(11) 0.190(9) Uani 1 1 d DG U . . .
H20D H -0.2656 0.8212 0.5320 0.284 Uiso 1 1 calc R U . . .
H20E H -0.2446 0.8354 0.4771 0.284 Uiso 1 1 calc R U . . .
H20C H -0.2523 0.7837 0.4908 0.284 Uiso 1 1 calc R U . . .
C201 C -0.0203(6) 0.7985(7) 0.5141(8) 0.110(5) Uani 1 1 d DG U . . .
H20G H -0.0137 0.7781 0.5445 0.132 Uiso 1 1 calc R U . . .
H20F H -0.0048 0.8287 0.5273 0.132 Uiso 1 1 calc R U . . .
C202 C -0.1038(6) 0.7999(8) 0.4907(6) 0.123(5) Uani 1 1 d DG U . . .
H20I H -0.1115 0.8219 0.4620 0.147 Uiso 1 1 calc R U . . .
H20H H -0.1192 0.7703 0.4757 0.147 Uiso 1 1 calc R U . . .
C203 C -0.1527(7) 0.8117(8) 0.5284(7) 0.140(6) Uani 1 1 d DG U . . .
H20K H -0.1373 0.8414 0.5434 0.168 Uiso 1 1 calc R U . . .
H20J H -0.1450 0.7897 0.5571 0.168 Uiso 1 1 calc R U . . .
C205 C 0.0282(10) 0.8204(6) 0.4178(8) 0.085(5) Uani 1 1 d . . . . .
H20L H 0.0608 0.8118 0.3924 0.102 Uiso 1 1 calc R U . . .
H20M H -0.0251 0.8183 0.4000 0.102 Uiso 1 1 calc R U . . .
C206 C 0.0456(14) 0.8698(7) 0.4347(9) 0.114(7) Uani 1 1 d . . . . .
H20A H 0.0999 0.8727 0.4499 0.136 Uiso 1 1 calc R U . . .
H20B H 0.0157 0.8780 0.4618 0.136 Uiso 1 1 calc R U . . .
C207 C 0.026(3) 0.9035(10) 0.3866(15) 0.23(2) Uani 1 1 d . . . . .
H20N H 0.0373 0.9341 0.3987 0.352 Uiso 1 1 calc R U . . .
H20P H 0.0559 0.8958 0.3599 0.352 Uiso 1 1 calc R U . . .
H20O H -0.0282 0.9011 0.3719 0.352 Uiso 1 1 calc R U . . .
C208 C 0.0037(9) 0.7299(5) 0.4422(6) 0.069(4) Uani 1 1 d . . . . .
H20Q H -0.0475 0.7362 0.4225 0.083 Uiso 1 1 calc R U . . .
H20R H 0.0354 0.7194 0.4172 0.083 Uiso 1 1 calc R U . . .
C209 C -0.0024(11) 0.6915(7) 0.4825(7) 0.089(5) Uani 1 1 d . . . . .
H20S H 0.0476 0.6875 0.5049 0.106 Uiso 1 1 calc R U . . .
H20T H -0.0386 0.7008 0.5052 0.106 Uiso 1 1 calc R U . . .
C210 C -0.0271(13) 0.6483(7) 0.4583(9) 0.106(7) Uani 1 1 d . . . . .
H21A H -0.0296 0.6261 0.4856 0.159 Uiso 1 1 calc R U . . .
H21B H -0.0773 0.6517 0.4368 0.159 Uiso 1 1 calc R U . . .
H21C H 0.0091 0.6385 0.4365 0.159 Uiso 1 1 calc R U . . .
C301 C 0.0500(14) 0.5611(7) 0.3634(9) 0.154(8) Uani 1 1 d DG U . . .
H30A H 0.0096 0.5772 0.3772 0.185 Uiso 1 1 calc R U . . .
H30B H 0.0258 0.5443 0.3322 0.185 Uiso 1 1 calc R U . . .
C302 C 0.0861(10) 0.5278(6) 0.4040(8) 0.158(7) Uani 1 1 d DG U . . .
H30C H 0.1268 0.5116 0.3905 0.190 Uiso 1 1 calc R U . . .
H30D H 0.1097 0.5443 0.4356 0.190 Uiso 1 1 calc R U . . .
C303 C 0.0323(10) 0.4950(7) 0.4186(9) 0.161(8) Uani 1 1 d DG U . . .
H30E H 0.0088 0.4785 0.3871 0.194 Uiso 1 1 calc R U . . .
H30F H -0.0084 0.5112 0.4321 0.194 Uiso 1 1 calc R U . . .
C304 C 0.0684(16) 0.4618(7) 0.4594(10) 0.203(11) Uani 1 1 d DG U . . .
H30H H 0.0298 0.4410 0.4674 0.304 Uiso 1 1 calc R U . . .
H30I H 0.1080 0.4451 0.4460 0.304 Uiso 1 1 calc R U . . .
H30G H 0.0908 0.4778 0.4911 0.304 Uiso 1 1 calc R U . . .
C305 C 0.051(2) 0.6360(11) 0.3000(11) 0.158(8) Uani 1 1 d . U . . .
H30J H 0.0819 0.6594 0.2870 0.189 Uiso 1 1 calc R U . . .
H30K H 0.0277 0.6178 0.2696 0.189 Uiso 1 1 calc R U . . .
C306 C -0.008(2) 0.6570(11) 0.3205(11) 0.155(8) Uani 1 1 d . U . . .
H30L H 0.0160 0.6718 0.3533 0.186 Uiso 1 1 calc R U . . .
H30M H -0.0407 0.6331 0.3303 0.186 Uiso 1 1 calc R U . . .
C307 C -0.0604(19) 0.6923(12) 0.2881(11) 0.173(10) Uani 1 1 d . U . . .
H30O H -0.0975 0.7032 0.3087 0.259 Uiso 1 1 calc R U . . .
H30P H -0.0299 0.7174 0.2793 0.259 Uiso 1 1 calc R U . . .
H30N H -0.0870 0.6784 0.2561 0.259 Uiso 1 1 calc R U . . .
C308 C 0.1648(16) 0.5741(9) 0.2977(10) 0.127(8) Uani 1 1 d . U . . .
H30Q H 0.2010 0.5523 0.3166 0.153 Uiso 1 1 calc R U . . .
H30R H 0.1289 0.5574 0.2715 0.153 Uiso 1 1 calc R U . . .
C309 C 0.2086(19) 0.6080(11) 0.2696(13) 0.159(11) Uani 1 1 d . U . . .
H30S H 0.2450 0.6245 0.2957 0.190 Uiso 1 1 calc R U . . .
H30T H 0.1726 0.6299 0.2506 0.190 Uiso 1 1 calc R U . . .
C310 C 0.254(2) 0.5830(15) 0.2288(13) 0.214(17) Uani 1 1 d . U . . .
H31B H 0.2814 0.6052 0.2115 0.320 Uiso 1 1 calc R U . . .
H31A H 0.2903 0.5617 0.2477 0.320 Uiso 1 1 calc R U . . .
H31C H 0.2181 0.5670 0.2027 0.320 Uiso 1 1 calc R U . . .
C401 C 0.1878(15) 0.8060(8) 0.2452(9) 0.120(6) Uani 1 1 d . U . . .
H40A H 0.1431 0.7975 0.2606 0.144 Uiso 1 1 calc R U . . .
H40B H 0.1697 0.8152 0.2087 0.144 Uiso 1 1 calc R U . . .
C402 C 0.2389(15) 0.7664(8) 0.2457(8) 0.129(6) Uani 1 1 d DG U . . .
H40C H 0.2593 0.7579 0.2821 0.155 Uiso 1 1 calc R U . . .
H40D H 0.2819 0.7741 0.2282 0.155 Uiso 1 1 calc R U . . .
C403 C 0.1949(16) 0.7271(7) 0.2176(9) 0.147(6) Uani 1 1 d DG U . . .
H40E H 0.2220 0.6990 0.2286 0.176 Uiso 1 1 calc R U . . .
H40F H 0.1444 0.7255 0.2280 0.176 Uiso 1 1 calc R U . . .
C404 C 0.185(2) 0.7315(11) 0.1585(8) 0.215(11) Uani 1 1 d DG U . . .
H40G H 0.1567 0.7058 0.1421 0.323 Uiso 1 1 calc R U . . .
H40I H 0.1573 0.7590 0.1474 0.323 Uiso 1 1 calc R U . . .
H40H H 0.2349 0.7326 0.1480 0.323 Uiso 1 1 calc R U . . .
C405 C 0.1601(19) 0.8927(10) 0.2720(13) 0.164(12) Uani 1 1 d D U . . .
H40J H 0.1373 0.8937 0.2347 0.197 Uiso 1 1 calc R U . . .
H40K H 0.1204 0.8831 0.2917 0.197 Uiso 1 1 calc R U . . .
C406 C 0.187(2) 0.9388(11) 0.2898(16) 0.202(16) Uani 1 1 d D U . . .
H40L H 0.2290 0.9479 0.2715 0.243 Uiso 1 1 calc R U . . .
H40M H 0.2073 0.9384 0.3276 0.243 Uiso 1 1 calc R U . . .
C407 C 0.121(2) 0.9735(14) 0.2781(18) 0.24(2) Uani 1 1 d D U . . .
H40N H 0.1397 1.0032 0.2899 0.359 Uiso 1 1 calc R U . . .
H40P H 0.1019 0.9743 0.2406 0.359 Uiso 1 1 calc R U . . .
H40O H 0.0802 0.9648 0.2966 0.359 Uiso 1 1 calc R U . . .
C408 C 0.3101(18) 0.8681(10) 0.2429(11) 0.132(9) Uani 1 1 d . . . . .
H40Q H 0.3461 0.8428 0.2447 0.159 Uiso 0.64(2) 1 calc R U P A 1
H40R H 0.2860 0.8715 0.2060 0.159 Uiso 0.64(2) 1 calc R U P A 1
H40S H 0.3288 0.8985 0.2531 0.159 Uiso 0.36(2) 1 calc R U P A 2
H40T H 0.3532 0.8472 0.2519 0.159 Uiso 0.36(2) 1 calc R U P A 2
C409 C 0.348(4) 0.9036(16) 0.2569(18) 0.18(3) Uani 0.64(2) 1 d . . P A 1
H40V H 0.3791 0.8981 0.2915 0.214 Uiso 0.64(2) 1 calc R U P A 1
H40U H 0.3115 0.9276 0.2612 0.214 Uiso 0.64(2) 1 calc R U P A 1
C410 C 0.405(3) 0.922(2) 0.217(2) 0.19(3) Uani 0.64(2) 1 d . U P A 1
H41A H 0.4309 0.9495 0.2313 0.289 Uiso 0.64(2) 1 calc R U P A 1
H41C H 0.4427 0.8993 0.2129 0.289 Uiso 0.64(2) 1 calc R U P A 1
H41B H 0.3749 0.9290 0.1825 0.289 Uiso 0.64(2) 1 calc R U P A 1
C411 C 0.282(3) 0.8670(19) 0.182(2) 0.091(16) Uani 0.36(2) 1 d . U P A 2
H41E H 0.2740 0.8360 0.1689 0.109 Uiso 0.36(2) 1 calc R U P A 2
H41D H 0.2355 0.8846 0.1716 0.109 Uiso 0.36(2) 1 calc R U P A 2
C412 C 0.350(6) 0.889(3) 0.164(4) 0.19(3) Uani 0.36(2) 1 d . U P A 2
H41G H 0.3409 0.8903 0.1259 0.278 Uiso 0.36(2) 1 calc R U P A 2
H41F H 0.3574 0.9188 0.1786 0.278 Uiso 0.36(2) 1 calc R U P A 2
H41H H 0.3955 0.8707 0.1759 0.278 Uiso 0.36(2) 1 calc R U P A 2
C504 C 0.2199(17) 0.4536(9) 0.3452(8) 0.234(11) Uani 1 1 d DG U . . .
H50B H 0.2327 0.4382 0.3148 0.352 Uiso 1 1 calc R U . . .
H50C H 0.1976 0.4828 0.3347 0.352 Uiso 1 1 calc R U . . .
H50A H 0.1834 0.4356 0.3603 0.352 Uiso 1 1 calc R U . . .
C501 C 0.3520(11) 0.4975(7) 0.4677(7) 0.128(7) Uani 1 1 d DG U . . .
H50E H 0.3925 0.5093 0.4500 0.154 Uiso 1 1 calc R U . . .
H50D H 0.3688 0.4680 0.4826 0.154 Uiso 1 1 calc R U . . .
C502 C 0.2809(10) 0.4910(7) 0.4275(7) 0.144(6) Uani 1 1 d DG U . . .
H50G H 0.2402 0.4796 0.4451 0.172 Uiso 1 1 calc R U . . .
H50F H 0.2645 0.5204 0.4121 0.172 Uiso 1 1 calc R U . . .
C503 C 0.2909(13) 0.4600(7) 0.3854(7) 0.166(7) Uani 1 1 d DG U . . .
H50I H 0.3073 0.4307 0.4009 0.199 Uiso 1 1 calc R U . . .
H50H H 0.3317 0.4714 0.3678 0.199 Uiso 1 1 calc R U . . .
C505 C 0.2722(14) 0.5078(6) 0.5517(10) 0.115(6) Uani 1 1 d D U . . .
H50J H 0.2719 0.5240 0.5848 0.138 Uiso 1 1 calc R U . . .
H50K H 0.2216 0.5118 0.5300 0.138 Uiso 1 1 calc R U . . .
C506 C 0.2840(14) 0.4558(7) 0.5647(10) 0.120(5) Uani 1 1 d D U . . .
H50L H 0.3349 0.4504 0.5853 0.144 Uiso 1 1 calc R U . . .
H50M H 0.2785 0.4381 0.5323 0.144 Uiso 1 1 calc R U . . .
C507 C 0.2186(17) 0.4427(8) 0.5981(12) 0.164(9) Uani 1 1 d D U . . .
H50O H 0.2355 0.4171 0.6206 0.247 Uiso 1 1 calc R U . . .
H50N H 0.1720 0.4348 0.5743 0.247 Uiso 1 1 calc R U . . .
H50P H 0.2089 0.4681 0.6196 0.247 Uiso 1 1 calc R U . . .
C508 C 0.4329(16) 0.5286(9) 0.5635(11) 0.152(8) Uani 1 1 d DG U . . .
H50R H 0.4286 0.5049 0.5893 0.183 Uiso 1 1 calc R U . . .
H50Q H 0.4720 0.5190 0.5432 0.183 Uiso 1 1 calc R U . . .
C509 C 0.4589(15) 0.5714(7) 0.5921(11) 0.158(7) Uani 1 1 d DG U . . .
H50T H 0.4707 0.5937 0.5667 0.190 Uiso 1 1 calc R U . . .
H50S H 0.4168 0.5834 0.6081 0.190 Uiso 1 1 calc R U . . .
C510 C 0.5258(16) 0.5657(10) 0.6330(11) 0.172(9) Uani 1 1 d DG U . . .
H51B H 0.5395 0.5944 0.6499 0.259 Uiso 1 1 calc R U . . .
H51A H 0.5142 0.5442 0.6589 0.259 Uiso 1 1 calc R U . . .
H51C H 0.5681 0.5545 0.6174 0.259 Uiso 1 1 calc R U . . .
C604 C 0.3435(11) 0.7084(9) 0.8262(8) 0.209(11) Uani 1 1 d DG U . . .
H60B H 0.3560 0.7220 0.8607 0.313 Uiso 1 1 calc R U . . .
H60A H 0.3462 0.6758 0.8295 0.313 Uiso 1 1 calc R U . . .
H60C H 0.3797 0.7186 0.8045 0.313 Uiso 1 1 calc R U . . .
C601 C 0.1608(8) 0.7165(7) 0.7236(6) 0.104(5) Uani 1 1 d DG U . . .
H60D H 0.1606 0.7489 0.7162 0.125 Uiso 1 1 calc R U . . .
H60E H 0.1263 0.7113 0.7488 0.125 Uiso 1 1 calc R U . . .
C602 C 0.2403(8) 0.7030(6) 0.7488(5) 0.121(5) Uani 1 1 d DG U . . .
H60F H 0.2429 0.6700 0.7512 0.145 Uiso 1 1 calc R U . . .
H60G H 0.2763 0.7127 0.7262 0.145 Uiso 1 1 calc R U . . .
C603 C 0.2641(11) 0.7219(7) 0.8011(6) 0.142(6) Uani 1 1 d DG U . . .
H60H H 0.2282 0.7122 0.8237 0.171 Uiso 1 1 calc R U . . .
H60I H 0.2616 0.7549 0.7987 0.171 Uiso 1 1 calc R U . . .
C605 C 0.0253(13) 0.7003(8) 0.6567(8) 0.105(7) Uani 1 1 d . U . . .
H60J H 0.0081 0.6978 0.6907 0.126 Uiso 1 1 calc R U . . .
H60K H 0.0164 0.7314 0.6441 0.126 Uiso 1 1 calc R U . . .
C606 C -0.0199(17) 0.6682(11) 0.6178(11) 0.144(10) Uani 1 1 d . U . . .
H60L H -0.0165 0.6377 0.6328 0.173 Uiso 1 1 calc R U . . .
H60M H 0.0027 0.6674 0.5857 0.173 Uiso 1 1 calc R U . . .
C607 C -0.107(2) 0.6822(14) 0.6029(14) 0.196(15) Uani 1 1 d . U . . .
H60O H -0.1341 0.6606 0.5779 0.294 Uiso 1 1 calc R U . . .
H60P H -0.1304 0.6823 0.6344 0.294 Uiso 1 1 calc R U . . .
H60N H -0.1113 0.7120 0.5873 0.294 Uiso 1 1 calc R U . . .
C608 C 0.1311(16) 0.6295(7) 0.6821(8) 0.116(7) Uani 1 1 d . U . . .
H60Q H 0.1064 0.6121 0.6515 0.139 Uiso 1 1 calc R U . . .
H60R H 0.1853 0.6211 0.6887 0.139 Uiso 1 1 calc R U . . .
C609 C 0.0956(18) 0.6145(8) 0.7304(10) 0.131(8) Uani 1 1 d . U . . .
H60S H 0.0414 0.6228 0.7252 0.158 Uiso 1 1 calc R U . . .
H60T H 0.1219 0.6295 0.7623 0.158 Uiso 1 1 calc R U . . .
C610 C 0.105(3) 0.5621(11) 0.7360(14) 0.219(17) Uani 1 1 d . U . . .
H61B H 0.0830 0.5520 0.7660 0.329 Uiso 1 1 calc R U . . .
H61A H 0.0783 0.5476 0.7044 0.329 Uiso 1 1 calc R U . . .
H61C H 0.1586 0.5543 0.7413 0.329 Uiso 1 1 calc R U . . .
C704 C 0.4057(12) 0.9422(11) 0.7367(10) 0.240(12) Uani 1 1 d DG U . . .
H70B H 0.4208 0.9456 0.7744 0.360 Uiso 1 1 calc R U . . .
H70C H 0.4319 0.9165 0.7248 0.360 Uiso 1 1 calc R U . . .
H70A H 0.4194 0.9693 0.7193 0.360 Uiso 1 1 calc R U . . .
C701 C 0.2079(9) 0.9225(9) 0.6543(8) 0.145(7) Uani 1 1 d DG U . . .
H70E H 0.1823 0.9469 0.6703 0.174 Uiso 1 1 calc R U . . .
H70D H 0.1952 0.8941 0.6701 0.174 Uiso 1 1 calc R U . . .
C702 C 0.2928(9) 0.9297(9) 0.6675(5) 0.156(7) Uani 1 1 d DG U . . .
H70G H 0.3186 0.9039 0.6545 0.187 Uiso 1 1 calc R U . . .
H70F H 0.3061 0.9567 0.6490 0.187 Uiso 1 1 calc R U . . .
C703 C 0.3209(11) 0.9351(9) 0.7236(6) 0.176(8) Uani 1 1 d DG U . . .
H70I H 0.3076 0.9081 0.7420 0.211 Uiso 1 1 calc R U . . .
H70H H 0.2951 0.9609 0.7365 0.211 Uiso 1 1 calc R U . . .
C705 C 0.0666(17) 0.9173(9) 0.5839(11) 0.144(11) Uani 1 1 d . . . . .
H70J H 0.0424 0.9241 0.5477 0.172 Uiso 1 1 calc R U . . .
H70K H 0.0541 0.8860 0.5909 0.172 Uiso 1 1 calc R U . . .
C706 C 0.030(2) 0.9471(14) 0.6200(14) 0.202(18) Uani 1 1 d . . . . .
H70M H 0.0276 0.9781 0.6067 0.242 Uiso 1 1 calc R U . . .
H70L H 0.0616 0.9471 0.6550 0.242 Uiso 1 1 calc R U . . .
C707 C -0.059(2) 0.9300(18) 0.6250(17) 0.26(3) Uani 1 1 d . . . . .
H70O H -0.0803 0.9500 0.6485 0.392 Uiso 1 1 calc R U . . .
H70N H -0.0912 0.9306 0.5905 0.392 Uiso 1 1 calc R U . . .
H70P H -0.0571 0.8995 0.6389 0.392 Uiso 1 1 calc R U . . .
C708 C 0.1838(18) 0.9753(8) 0.5634(11) 0.133(9) Uani 1 1 d . . . . .
H70Q H 0.1749 0.9966 0.5908 0.159 Uiso 0.64(2) 1 calc R U P A 1
H70R H 0.2377 0.9783 0.5600 0.159 Uiso 0.64(2) 1 calc R U P A 1
H70S H 0.2344 0.9845 0.5817 0.159 Uiso 0.36(2) 1 calc R U P A 2
H70T H 0.1897 0.9703 0.5268 0.159 Uiso 0.36(2) 1 calc R U P A 2
C709 C 0.140(3) 0.9905(16) 0.515(2) 0.146(14) Uani 0.64(2) 1 d . U P A 1
H70V H 0.0870 0.9959 0.5204 0.175 Uiso 0.64(2) 1 calc R U P A 1
H70U H 0.1388 0.9670 0.4886 0.175 Uiso 0.64(2) 1 calc R U P A 1
C710 C 0.173(4) 1.0345(19) 0.496(2) 0.187(19) Uani 0.64(2) 1 d . U P A 1
H71B H 0.1415 1.0439 0.4630 0.280 Uiso 0.64(2) 1 calc R U P A 1
H71A H 0.1730 1.0580 0.5219 0.280 Uiso 0.64(2) 1 calc R U P A 1
H71C H 0.2247 1.0291 0.4901 0.280 Uiso 0.64(2) 1 calc R U P A 1
C711 C 0.138(5) 1.017(3) 0.561(3) 0.147(14) Uani 0.36(2) 1 d . U P A 2
H71E H 0.0843 1.0073 0.5567 0.176 Uiso 0.36(2) 1 calc R U P A 2
H71D H 0.1493 1.0302 0.5967 0.176 Uiso 0.36(2) 1 calc R U P A 2
C712 C 0.138(7) 1.056(3) 0.525(4) 0.18(2) Uani 0.36(2) 1 d . U P A 2
H71G H 0.1017 1.0786 0.5331 0.273 Uiso 0.36(2) 1 calc R U P A 2
H71F H 0.1885 1.0690 0.5298 0.273 Uiso 0.36(2) 1 calc R U P A 2
H71H H 0.1227 1.0458 0.4893 0.273 Uiso 0.36(2) 1 calc R U P A 2
C801 C 0.5777(14) 0.8975(6) 0.4009(10) 0.121(6) Uani 1 1 d . U . . .
H80A H 0.6040 0.8693 0.4124 0.146 Uiso 1 1 calc R U . . .
H80B H 0.5505 0.8929 0.3649 0.146 Uiso 1 1 calc R U . . .
C802 C 0.6369(13) 0.9336(7) 0.3999(11) 0.136(6) Uani 1 1 d DG U . . .
H80C H 0.6612 0.9407 0.4360 0.163 Uiso 1 1 calc R U . . .
H80D H 0.6119 0.9611 0.3843 0.163 Uiso 1 1 calc R U . . .
C803 C 0.6977(14) 0.9191(8) 0.3687(9) 0.152(7) Uani 1 1 d DG U . . .
H80E H 0.6729 0.9086 0.3339 0.182 Uiso 1 1 calc R U . . .
H80F H 0.7296 0.9451 0.3636 0.182 Uiso 1 1 calc R U . . .
C804 C 0.7479(16) 0.8818(10) 0.3960(14) 0.208(11) Uani 1 1 d DG U . . .
H80G H 0.7859 0.8735 0.3748 0.313 Uiso 1 1 calc R U . . .
H80I H 0.7734 0.8923 0.4301 0.313 Uiso 1 1 calc R U . . .
H80H H 0.7166 0.8557 0.4005 0.313 Uiso 1 1 calc R U . . .
C805 C 0.4664(15) 0.9611(6) 0.4205(10) 0.110(8) Uani 1 1 d . . . . .
H80J H 0.4306 0.9703 0.4435 0.132 Uiso 1 1 calc R U . . .
H80K H 0.5068 0.9839 0.4234 0.132 Uiso 1 1 calc R U . . .
C806 C 0.424(2) 0.9597(7) 0.3640(12) 0.147(12) Uani 1 1 d . . . . .
H80L H 0.4591 0.9481 0.3415 0.176 Uiso 1 1 calc R U . . .
H80M H 0.3816 0.9384 0.3618 0.176 Uiso 1 1 calc R U . . .
C807 C 0.394(2) 1.0040(9) 0.3431(13) 0.198(18) Uani 1 1 d . . . . .
H80N H 0.3679 1.0004 0.3071 0.297 Uiso 1 1 calc R U . . .
H80O H 0.3581 1.0154 0.3644 0.297 Uiso 1 1 calc R U . . .
H80P H 0.4358 1.0252 0.3441 0.297 Uiso 1 1 calc R U . . .
C808 C 0.5633(14) 0.9206(8) 0.5053(8) 0.109(8) Uani 1 1 d . . . . .
H80Q H 0.5924 0.9483 0.5026 0.131 Uiso 1 1 calc R U . . .
H80R H 0.5287 0.9263 0.5303 0.131 Uiso 1 1 calc R U . . .
C809 C 0.6176(14) 0.8841(9) 0.5268(10) 0.126(9) Uani 1 1 d . . . . .
H80S H 0.6510 0.8778 0.5012 0.152 Uiso 1 1 calc R U . . .
H80T H 0.5881 0.8567 0.5304 0.152 Uiso 1 1 calc R U . . .
C810 C 0.670(2) 0.8945(13) 0.5819(10) 0.194(17) Uani 1 1 d . . . . .
H81A H 0.7029 0.8689 0.5925 0.292 Uiso 1 1 calc R U . . .
H81B H 0.7006 0.9210 0.5788 0.292 Uiso 1 1 calc R U . . .
H81C H 0.6376 0.8999 0.6081 0.292 Uiso 1 1 calc R U . . .
C901 C 0.6228(7) 0.6942(5) 0.3459(5) 0.079(4) Uani 1 1 d DG U . . .
H90B H 0.6508 0.6845 0.3182 0.095 Uiso 1 1 calc R U . . .
H90A H 0.6230 0.7272 0.3466 0.095 Uiso 1 1 calc R U . . .
C902 C 0.6634(6) 0.6768(5) 0.3979(5) 0.088(4) Uani 1 1 d DG U . . .
H90D H 0.6335 0.6847 0.4251 0.105 Uiso 1 1 calc R U . . .
H90C H 0.6659 0.6438 0.3963 0.105 Uiso 1 1 calc R U . . .
C903 C 0.7406(6) 0.6944(6) 0.4129(6) 0.109(5) Uani 1 1 d DG U . . .
H90F H 0.7381 0.7274 0.4145 0.131 Uiso 1 1 calc R U . . .
H90E H 0.7705 0.6865 0.3857 0.131 Uiso 1 1 calc R U . . .
C904 C 0.7813(9) 0.6771(8) 0.4649(7) 0.183(10) Uani 1 1 d DG U . . .
H90H H 0.8322 0.6901 0.4725 0.275 Uiso 1 1 calc R U . . .
H90G H 0.7529 0.6855 0.4923 0.275 Uiso 1 1 calc R U . . .
H90I H 0.7853 0.6445 0.4635 0.275 Uiso 1 1 calc R U . . .
C905 C 0.4940(10) 0.6967(6) 0.2643(7) 0.079(5) Uani 1 1 d . . . . .
H90J H 0.4923 0.7297 0.2659 0.095 Uiso 1 1 calc R U . . .
H90K H 0.5310 0.6884 0.2419 0.095 Uiso 1 1 calc R U . . .
C906 C 0.4148(16) 0.6790(11) 0.2395(9) 0.145(11) Uani 1 1 d . . . . .
H90L H 0.3784 0.6847 0.2632 0.174 Uiso 1 1 calc R U . . .
H90M H 0.4174 0.6463 0.2342 0.174 Uiso 1 1 calc R U . . .
C907 C 0.3872(15) 0.7023(13) 0.1865(9) 0.172(15) Uani 1 1 d . . . . .
H90N H 0.3372 0.6908 0.1712 0.257 Uiso 1 1 calc R U . . .
H90O H 0.3841 0.7346 0.1918 0.257 Uiso 1 1 calc R U . . .
H90P H 0.4231 0.6962 0.1629 0.257 Uiso 1 1 calc R U . . .
C908 C 0.5359(12) 0.6140(6) 0.3221(8) 0.093(6) Uani 1 1 d . . . . .
H90Q H 0.5514 0.6008 0.3571 0.112 Uiso 1 1 calc R U . . .
H90R H 0.4852 0.6019 0.3078 0.112 Uiso 1 1 calc R U . . .
C909 C 0.5908(14) 0.5979(7) 0.2878(10) 0.114(8) Uani 1 1 d . . . . .
H90S H 0.6430 0.6067 0.3033 0.136 Uiso 1 1 calc R U . . .
H90T H 0.5783 0.6118 0.2530 0.136 Uiso 1 1 calc R U . . .
C910 C 0.586(2) 0.5442(9) 0.2823(12) 0.179(15) Uani 1 1 d . . . . .
H91B H 0.6210 0.5338 0.2601 0.269 Uiso 1 1 calc R U . . .
H91C H 0.5986 0.5305 0.3168 0.269 Uiso 1 1 calc R U . . .
H91A H 0.5339 0.5356 0.2666 0.269 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 Au2 2.6035(9) . ?
Au1 Au6 3.1428(9) . ?
Au1 Au12 2.9507(9) . ?
Au1 Au13 2.9065(9) . ?
Au1 Ga4 3.0989(19) . ?
Au1 P1 2.284(5) . ?
Au2 Au6 2.8669(9) . ?
Au2 Au7 2.8439(9) . ?
Au2 Au12 2.8764(8) . ?
Au2 Au13 2.8634(8) . ?
Au2 Ga1 2.6034(16) . ?
Au2 Ga4 2.5338(19) . ?
Au2 P2 2.348(4) . ?
Au3 Au5 2.7786(9) . ?
Au3 Au10 2.7496(8) . ?
Au3 Au13 2.7508(9) . ?
Au3 P3 2.280(5) . ?
Au4 Au8 2.7596(11) . ?
Au4 Au11 2.7512(9) . ?
Au4 Au12 2.7386(9) . ?
Au4 P4 2.264(5) . ?
Au5 Au10 2.7768(8) . ?
Au5 Au13 2.8201(8) . ?
Au5 Ga2 2.7653(18) . ?
Au5 Ga3 2.7738(18) . ?
Au5 P5 2.330(4) . ?
Au6 Au13 2.7073(8) . ?
Au6 Ga3 2.7025(19) . ?
Au6 Ga4 2.699(2) . ?
Au6 P6 2.346(4) . ?
Au7 Au12 2.6772(8) . ?
Au7 Ga4 2.743(2) . ?
Au7 Ga5 2.728(2) . ?
Au7 P7 2.329(4) . ?
Au8 Au11 2.7817(8) . ?
Au8 Au12 2.8232(9) . ?
Au8 Ga5 2.892(2) . ?
Au8 Ga6 2.7708(19) . ?
Au8 P8 2.328(5) . ?
Au9 Au10 2.7019(7) . ?
Au9 Au11 2.7226(8) . ?
Au9 Ga2 2.7709(18) . ?
Au9 Ga6 2.7494(18) . ?
Au9 P9 2.316(4) . ?
Au10 Au11 2.7160(7) . ?
Au10 Au13 2.7692(7) . ?
Au10 Ga1 2.5814(17) . ?
Au10 Ga2 2.4693(18) . ?
Au11 Au12 2.7815(8) . ?
Au11 Ga1 2.5803(17) . ?
Au11 Ga6 2.4548(18) . ?
Au12 Ga1 2.5907(17) . ?
Au12 Ga5 2.478(2) . ?
Au13 Ga1 2.5780(16) . ?
Au13 Ga3 2.4760(18) . ?
Ga1 Cl11 2.264(4) . ?
Ga2 Cl21 2.230(5) . ?
Ga2 Cl22 2.224(5) . ?
Ga3 Cl31 2.229(5) . ?
Ga3 Cl32 2.225(4) . ?
Ga4 Cl41 2.248(5) . ?
Ga4 Cl42 2.252(4) . ?
Ga5 Cl51 2.241(5) . ?
Ga5 Cl52 2.242(6) . ?
Ga6 Cl61 2.242(4) . ?
Ga6 Cl62 2.240(5) . ?
P1 C101 1.74(2) . ?
P1 C105 1.80(3) . ?
P1 C108 1.84(4) . ?
P2 C201 1.802(15) . ?
P2 C205 1.816(19) . ?
P2 C208 1.795(16) . ?
P3 C301 1.764(18) . ?
P3 C305 1.79(3) . ?
P3 C308 1.84(3) . ?
P4 C401 1.82(2) . ?
P4 C405 1.79(3) . ?
P4 C408 1.86(3) . ?
P5 C501 1.754(18) . ?
P5 C505 1.799(19) . ?
P5 C508 1.86(2) . ?
P6 C601 1.779(16) . ?
P6 C605 1.80(2) . ?
P6 C608 1.80(2) . ?
P7 C701 1.76(2) . ?
P7 C705 1.88(3) . ?
P7 C708 1.77(2) . ?
P8 C801 1.83(2) . ?
P8 C805 1.79(2) . ?
P8 C808 1.79(2) . ?
P9 C901 1.803(13) . ?
P9 C905 1.837(18) . ?
P9 C908 1.842(17) . ?
C104 H10B 0.9800 . ?
C104 H10C 0.9800 . ?
C104 H10A 0.9800 . ?
C104 C103 1.5176 . ?
C101 H10E 0.9900 . ?
C101 H10D 0.9900 . ?
C101 C102 1.5168 . ?
C102 H10G 0.9900 . ?
C102 H10F 0.9900 . ?
C102 C103 1.4713 . ?
C103 H10I 0.9900 . ?
C103 H10H 0.9900 . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C105 C106 1.541(18) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C106 C107 1.503(19) . ?
C107 H10O 0.9800 . ?
C107 H10N 0.9800 . ?
C107 H10P 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11C 0.9800 . ?
C110 C109 1.5321 . ?
C108 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?
C108 C109 1.5298 . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C204 H20D 0.9800 . ?
C204 H20E 0.9800 . ?
C204 H20C 0.9800 . ?
C204 C203 1.5167 . ?
C201 H20G 0.9900 . ?
C201 H20F 0.9900 . ?
C201 C202 1.5167 . ?
C202 H20I 0.9900 . ?
C202 H20H 0.9900 . ?
C202 C203 1.4691 . ?
C203 H20K 0.9900 . ?
C203 H20J 0.9900 . ?
C205 H20L 0.9900 . ?
C205 H20M 0.9900 . ?
C205 C206 1.56(3) . ?
C206 H20A 0.9900 . ?
C206 H20B 0.9900 . ?
C206 C207 1.60(4) . ?
C207 H20N 0.9800 . ?
C207 H20P 0.9800 . ?
C207 H20O 0.9800 . ?
C208 H20Q 0.9900 . ?
C208 H20R 0.9900 . ?
C208 C209 1.57(2) . ?
C209 H20S 0.9900 . ?
C209 H20T 0.9900 . ?
C209 C210 1.47(3) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C301 C302 1.5171 . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C302 C303 1.4709 . ?
C303 H30E 0.9900 . ?
C303 H30F 0.9900 . ?
C303 C304 1.5177 . ?
C304 H30H 0.9800 . ?
C304 H30I 0.9800 . ?
C304 H30G 0.9800 . ?
C305 H30J 0.9900 . ?
C305 H30K 0.9900 . ?
C305 C306 1.41(4) . ?
C306 H30L 0.9900 . ?
C306 H30M 0.9900 . ?
C306 C307 1.57(4) . ?
C307 H30O 0.9800 . ?
C307 H30P 0.9800 . ?
C307 H30N 0.9800 . ?
C308 H30Q 0.9900 . ?
C308 H30R 0.9900 . ?
C308 C309 1.54(4) . ?
C309 H30S 0.9900 . ?
C309 H30T 0.9900 . ?
C309 C310 1.63(4) . ?
C310 H31B 0.9800 . ?
C310 H31A 0.9800 . ?
C310 H31C 0.9800 . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C401 C402 1.50(3) . ?
C402 H40C 0.9900 . ?
C402 H40D 0.9900 . ?
C402 C403 1.5302 . ?
C403 H40E 0.9900 . ?
C403 H40F 0.9900 . ?
C403 C404 1.5290 . ?
C404 H40G 0.9800 . ?
C404 H40I 0.9800 . ?
C404 H40H 0.9800 . ?
C405 H40J 0.9900 . ?
C405 H40K 0.9900 . ?
C405 C406 1.513(19) . ?
C406 H40L 0.9900 . ?
C406 H40M 0.9900 . ?
C406 C407 1.569(19) . ?
C407 H40N 0.9800 . ?
C407 H40P 0.9800 . ?
C407 H40O 0.9800 . ?
C408 H40Q 0.9900 . ?
C408 H40R 0.9900 . ?
C408 H40S 0.9900 . ?
C408 H40T 0.9900 . ?
C408 C409 1.28(5) . ?
C408 C411 1.58(6) . ?
C409 H40V 0.9900 . ?
C409 H40U 0.9900 . ?
C409 C410 1.68(7) . ?
C410 H41A 0.9800 . ?
C410 H41C 0.9800 . ?
C410 H41B 0.9800 . ?
C411 H41E 0.9900 . ?
C411 H41D 0.9900 . ?
C411 C412 1.52(9) . ?
C412 H41G 0.9800 . ?
C412 H41F 0.9800 . ?
C412 H41H 0.9800 . ?
C504 H50B 0.9800 . ?
C504 H50C 0.9800 . ?
C504 H50A 0.9800 . ?
C504 C503 1.5168 . ?
C501 H50E 0.9900 . ?
C501 H50D 0.9900 . ?
C501 C502 1.5167 . ?
C502 H50G 0.9900 . ?
C502 H50F 0.9900 . ?
C502 C503 1.4707 . ?
C503 H50I 0.9900 . ?
C503 H50H 0.9900 . ?
C505 H50J 0.9900 . ?
C505 H50K 0.9900 . ?
C505 C506 1.60(2) . ?
C506 H50L 0.9900 . ?
C506 H50M 0.9900 . ?
C506 C507 1.63(2) . ?
C507 H50O 0.9800 . ?
C507 H50N 0.9800 . ?
C507 H50P 0.9800 . ?
C508 H50R 0.9900 . ?
C508 H50Q 0.9900 . ?
C508 C509 1.5175 . ?
C509 H50T 0.9900 . ?
C509 H50S 0.9900 . ?
C509 C510 1.4713 . ?
C510 H51B 0.9800 . ?
C510 H51A 0.9800 . ?
C510 H51C 0.9800 . ?
C604 H60B 0.9800 . ?
C604 H60A 0.9800 . ?
C604 H60C 0.9800 . ?
C604 C603 1.5165 . ?
C601 H60D 0.9900 . ?
C601 H60E 0.9900 . ?
C601 C602 1.5184 . ?
C602 H60F 0.9900 . ?
C602 H60G 0.9900 . ?
C602 C603 1.4718 . ?
C603 H60H 0.9900 . ?
C603 H60I 0.9900 . ?
C605 H60J 0.9900 . ?
C605 H60K 0.9900 . ?
C605 C606 1.53(3) . ?
C606 H60L 0.9900 . ?
C606 H60M 0.9900 . ?
C606 C607 1.61(4) . ?
C607 H60O 0.9800 . ?
C607 H60P 0.9800 . ?
C607 H60N 0.9800 . ?
C608 H60Q 0.9900 . ?
C608 H60R 0.9900 . ?
C608 C609 1.57(3) . ?
C609 H60S 0.9900 . ?
C609 H60T 0.9900 . ?
C609 C610 1.58(4) . ?
C610 H61B 0.9800 . ?
C610 H61A 0.9800 . ?
C610 H61C 0.9800 . ?
C704 H70B 0.9800 . ?
C704 H70C 0.9800 . ?
C704 H70A 0.9800 . ?
C704 C703 1.5159 . ?
C701 H70E 0.9900 . ?
C701 H70D 0.9900 . ?
C701 C702 1.5175 . ?
C702 H70G 0.9900 . ?
C702 H70F 0.9900 . ?
C702 C703 1.4727 . ?
C703 H70I 0.9900 . ?
C703 H70H 0.9900 . ?
C705 H70J 0.9900 . ?
C705 H70K 0.9900 . ?
C705 C706 1.53(3) . ?
C706 H70M 0.9900 . ?
C706 H70L 0.9900 . ?
C706 C707 1.70(5) . ?
C707 H70O 0.9800 . ?
C707 H70N 0.9800 . ?
C707 H70P 0.9800 . ?
C708 H70Q 0.9900 . ?
C708 H70R 0.9900 . ?
C708 H70S 0.9900 . ?
C708 H70T 0.9900 . ?
C708 C709 1.44(5) . ?
C708 C711 1.50(8) . ?
C709 H70V 0.9900 . ?
C709 H70U 0.9900 . ?
C709 C710 1.56(7) . ?
C710 H71B 0.9800 . ?
C710 H71A 0.9800 . ?
C710 H71C 0.9800 . ?
C711 H71E 0.9900 . ?
C711 H71D 0.9900 . ?
C711 C712 1.49(11) . ?
C712 H71G 0.9800 . ?
C712 H71F 0.9800 . ?
C712 H71H 0.9800 . ?
C801 H80A 0.9900 . ?
C801 H80B 0.9900 . ?
C801 C802 1.52(3) . ?
C802 H80C 0.9900 . ?
C802 H80D 0.9900 . ?
C802 C803 1.5319 . ?
C803 H80E 0.9900 . ?
C803 H80F 0.9900 . ?
C803 C804 1.5319 . ?
C804 H80G 0.9800 . ?
C804 H80I 0.9800 . ?
C804 H80H 0.9800 . ?
C805 H80J 0.9900 . ?
C805 H80K 0.9900 . ?
C805 C806 1.54(4) . ?
C806 H80L 0.9900 . ?
C806 H80M 0.9900 . ?
C806 C807 1.50(3) . ?
C807 H80N 0.9800 . ?
C807 H80O 0.9800 . ?
C807 H80P 0.9800 . ?
C808 H80Q 0.9900 . ?
C808 H80R 0.9900 . ?
C808 C809 1.51(3) . ?
C809 H80S 0.9900 . ?
C809 H80T 0.9900 . ?
C809 C810 1.60(4) . ?
C810 H81A 0.9800 . ?
C810 H81B 0.9800 . ?
C810 H81C 0.9800 . ?
C901 H90B 0.9900 . ?
C901 H90A 0.9900 . ?
C901 C902 1.5168 . ?
C902 H90D 0.9900 . ?
C902 H90C 0.9900 . ?
C902 C903 1.4712 . ?
C903 H90F 0.9900 . ?
C903 H90E 0.9900 . ?
C903 C904 1.5160 . ?
C904 H90H 0.9800 . ?
C904 H90G 0.9800 . ?
C904 H90I 0.9800 . ?
C905 H90J 0.9900 . ?
C905 H90K 0.9900 . ?
C905 C906 1.55(3) . ?
C906 H90L 0.9900 . ?
C906 H90M 0.9900 . ?
C906 C907 1.55(4) . ?
C907 H90N 0.9800 . ?
C907 H90O 0.9800 . ?
C907 H90P 0.9800 . ?
C908 H90Q 0.9900 . ?
C908 H90R 0.9900 . ?
C908 C909 1.52(2) . ?
C909 H90S 0.9900 . ?
C909 H90T 0.9900 . ?
C909 C910 1.62(3) . ?
C910 H91B 0.9800 . ?
C910 H91C 0.9800 . ?
C910 H91A 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
Au2 Au1 Au6 58.97(2) . . ?
Au2 Au1 Au12 62.01(2) . . ?
Au2 Au1 Au13 62.33(2) . . ?
Au2 Au1 Ga4 51.88(4) . . ?
Au12 Au1 Au6 120.96(3) . . ?
Au12 Au1 Ga4 92.47(4) . . ?
Au13 Au1 Au6 52.997(19) . . ?
Au13 Au1 Au12 97.94(3) . . ?
Au13 Au1 Ga4 96.08(4) . . ?
Ga4 Au1 Au6 51.23(4) . . ?
P1 Au1 Au2 175.16(13) . . ?
P1 Au1 Au6 125.79(13) . . ?
P1 Au1 Au12 113.25(13) . . ?
P1 Au1 Au13 120.66(15) . . ?
P1 Au1 Ga4 129.35(15) . . ?
Au1 Au2 Au6 69.94(2) . . ?
Au1 Au2 Au7 81.03(3) . . ?
Au1 Au2 Au12 64.93(2) . . ?
Au1 Au2 Au13 64.03(2) . . ?
Au6 Au2 Au12 134.85(3) . . ?
Au7 Au2 Au6 118.70(3) . . ?
Au7 Au2 Au12 55.81(2) . . ?
Au7 Au2 Au13 144.48(3) . . ?
Au13 Au2 Au6 56.388(19) . . ?
Au13 Au2 Au12 100.67(2) . . ?
Ga1 Au2 Au1 76.63(4) . . ?
Ga1 Au2 Au6 112.13(4) . . ?
Ga1 Au2 Au7 111.69(4) . . ?
Ga1 Au2 Au12 56.16(4) . . ?
Ga1 Au2 Au13 56.03(4) . . ?
Ga4 Au2 Au1 74.19(5) . . ?
Ga4 Au2 Au6 59.59(5) . . ?
Ga4 Au2 Au7 61.02(5) . . ?
Ga4 Au2 Au12 107.58(5) . . ?
Ga4 Au2 Au13 111.59(5) . . ?
Ga4 Au2 Ga1 150.69(6) . . ?
P2 Au2 Au1 175.21(11) . . ?
P2 Au2 Au6 107.81(11) . . ?
P2 Au2 Au7 103.71(11) . . ?
P2 Au2 Au12 117.07(11) . . ?
P2 Au2 Au13 111.18(11) . . ?
P2 Au2 Ga1 100.74(11) . . ?
P2 Au2 Ga4 108.56(11) . . ?
Au10 Au3 Au5 60.30(2) . . ?
Au10 Au3 Au13 60.46(2) . . ?
Au13 Au3 Au5 61.33(2) . . ?
P3 Au3 Au5 133.14(14) . . ?
P3 Au3 Au10 140.48(13) . . ?
P3 Au3 Au13 156.26(15) . . ?
Au11 Au4 Au8 60.63(2) . . ?
Au12 Au4 Au8 61.79(2) . . ?
Au12 Au4 Au11 60.88(2) . . ?
P4 Au4 Au8 139.25(16) . . ?
P4 Au4 Au11 136.03(16) . . ?
P4 Au4 Au12 154.70(15) . . ?
Au3 Au5 Au13 58.85(2) . . ?
Au10 Au5 Au3 59.33(2) . . ?
Au10 Au5 Au13 59.303(19) . . ?
Ga2 Au5 Au3 88.28(5) . . ?
Ga2 Au5 Au10 52.92(4) . . ?
Ga2 Au5 Au13 112.14(4) . . ?
Ga2 Au5 Ga3 160.82(6) . . ?
Ga3 Au5 Au3 91.35(5) . . ?
Ga3 Au5 Au10 111.16(4) . . ?
Ga3 Au5 Au13 52.54(4) . . ?
P5 Au5 Au3 132.83(14) . . ?
P5 Au5 Au10 150.39(11) . . ?
P5 Au5 Au13 148.99(11) . . ?
P5 Au5 Ga2 97.81(11) . . ?
P5 Au5 Ga3 96.48(12) . . ?
Au2 Au6 Au1 51.09(2) . . ?
Au13 Au6 Au1 59.02(2) . . ?
Au13 Au6 Au2 61.74(2) . . ?
Ga3 Au6 Au1 97.00(4) . . ?
Ga3 Au6 Au2 115.92(4) . . ?
Ga3 Au6 Au13 54.48(4) . . ?
Ga4 Au6 Au1 63.54(4) . . ?
Ga4 Au6 Au2 54.06(4) . . ?
Ga4 Au6 Au13 111.45(4) . . ?
Ga4 Au6 Ga3 160.48(6) . . ?
P6 Au6 Au1 143.38(14) . . ?
P6 Au6 Au2 141.81(14) . . ?
P6 Au6 Au13 151.51(13) . . ?
P6 Au6 Ga3 98.65(13) . . ?
P6 Au6 Ga4 96.88(13) . . ?
Au12 Au7 Au2 62.71(2) . . ?
Au12 Au7 Ga4 107.45(4) . . ?
Au12 Au7 Ga5 54.57(4) . . ?
Ga4 Au7 Au2 53.90(4) . . ?
Ga5 Au7 Au2 116.88(5) . . ?
Ga5 Au7 Ga4 152.45(7) . . ?
P7 Au7 Au2 138.31(15) . . ?
P7 Au7 Au12 156.17(14) . . ?
P7 Au7 Ga4 96.23(14) . . ?
P7 Au7 Ga5 102.42(15) . . ?
Au4 Au8 Au11 59.54(2) . . ?
Au4 Au8 Au12 58.74(2) . . ?
Au4 Au8 Ga5 81.59(5) . . ?
Au4 Au8 Ga6 89.23(5) . . ?
Au11 Au8 Au12 59.50(2) . . ?
Au11 Au8 Ga5 110.78(5) . . ?
Au12 Au8 Ga5 51.37(4) . . ?
Ga6 Au8 Au11 52.48(4) . . ?
Ga6 Au8 Au12 111.82(4) . . ?
Ga6 Au8 Ga5 163.19(6) . . ?
P8 Au8 Au4 133.60(16) . . ?
P8 Au8 Au11 151.76(14) . . ?
P8 Au8 Au12 147.05(12) . . ?
P8 Au8 Ga5 96.84(13) . . ?
P8 Au8 Ga6 99.68(13) . . ?
Au10 Au9 Au11 60.090(19) . . ?
Au10 Au9 Ga2 53.62(4) . . ?
Au10 Au9 Ga6 112.16(4) . . ?
Au11 Au9 Ga2 112.86(4) . . ?
Au11 Au9 Ga6 53.31(4) . . ?
Ga6 Au9 Ga2 155.35(6) . . ?
P9 Au9 Au10 150.12(11) . . ?
P9 Au9 Au11 146.58(10) . . ?
P9 Au9 Ga2 100.17(11) . . ?
P9 Au9 Ga6 97.36(11) . . ?
Au3 Au10 Au5 60.37(2) . . ?
Au3 Au10 Au13 59.79(2) . . ?
Au9 Au10 Au3 137.93(3) . . ?
Au9 Au10 Au5 126.11(3) . . ?
Au9 Au10 Au11 60.33(2) . . ?
Au9 Au10 Au13 161.97(3) . . ?
Au11 Au10 Au3 133.41(3) . . ?
Au11 Au10 Au5 156.30(3) . . ?
Au11 Au10 Au13 106.22(2) . . ?
Au13 Au10 Au5 61.13(2) . . ?
Ga1 Au10 Au3 80.19(4) . . ?
Ga1 Au10 Au5 117.64(4) . . ?
Ga1 Au10 Au9 115.72(4) . . ?
Ga1 Au10 Au11 58.23(4) . . ?
Ga1 Au10 Au13 57.48(4) . . ?
Ga2 Au10 Au3 95.28(5) . . ?
Ga2 Au10 Au5 63.30(4) . . ?
Ga2 Au10 Au9 64.62(4) . . ?
Ga2 Au10 Au11 123.88(5) . . ?
Ga2 Au10 Au13 124.33(5) . . ?
Ga2 Au10 Ga1 173.34(7) . . ?
Au4 Au11 Au8 59.83(3) . . ?
Au4 Au11 Au12 59.33(2) . . ?
Au8 Au11 Au12 60.99(2) . . ?
Au9 Au11 Au4 132.82(3) . . ?
Au9 Au11 Au8 127.05(3) . . ?
Au9 Au11 Au12 166.82(3) . . ?
Au10 Au11 Au4 131.60(3) . . ?
Au10 Au11 Au8 161.20(3) . . ?
Au10 Au11 Au9 59.578(19) . . ?
Au10 Au11 Au12 109.37(2) . . ?
Ga1 Au11 Au4 81.22(4) . . ?
Ga1 Au11 Au8 117.86(4) . . ?
Ga1 Au11 Au9 115.05(4) . . ?
Ga1 Au11 Au10 58.27(4) . . ?
Ga1 Au11 Au12 57.64(4) . . ?
Ga6 Au11 Au4 96.35(5) . . ?
Ga6 Au11 Au8 63.53(5) . . ?
Ga6 Au11 Au9 63.91(5) . . ?
Ga6 Au11 Au10 121.97(5) . . ?
Ga6 Au11 Au12 124.32(5) . . ?
Ga6 Au11 Ga1 175.47(7) . . ?
Au2 Au12 Au1 53.06(2) . . ?
Au4 Au12 Au1 143.59(3) . . ?
Au4 Au12 Au2 126.97(3) . . ?
Au4 Au12 Au8 59.47(2) . . ?
Au4 Au12 Au11 59.78(2) . . ?
Au7 Au12 Au1 77.88(2) . . ?
Au7 Au12 Au2 61.48(2) . . ?
Au7 Au12 Au4 137.38(3) . . ?
Au7 Au12 Au8 125.49(3) . . ?
Au7 Au12 Au11 162.82(3) . . ?
Au8 Au12 Au1 112.58(3) . . ?
Au8 Au12 Au2 164.45(3) . . ?
Au11 Au12 Au1 85.10(2) . . ?
Au11 Au12 Au2 109.59(2) . . ?
Au11 Au12 Au8 59.51(2) . . ?
Ga1 Au12 Au1 70.92(4) . . ?
Ga1 Au12 Au2 56.58(4) . . ?
Ga1 Au12 Au4 81.28(4) . . ?
Ga1 Au12 Au7 117.75(4) . . ?
Ga1 Au12 Au8 116.04(4) . . ?
Ga1 Au12 Au11 57.28(4) . . ?
Ga5 Au12 Au1 120.46(6) . . ?
Ga5 Au12 Au2 124.77(6) . . ?
Ga5 Au12 Au4 90.02(6) . . ?
Ga5 Au12 Au7 63.76(5) . . ?
Ga5 Au12 Au8 65.74(6) . . ?
Ga5 Au12 Au11 125.12(6) . . ?
Ga5 Au12 Ga1 167.64(7) . . ?
Au2 Au13 Au1 53.64(2) . . ?
Au3 Au13 Au1 146.38(3) . . ?
Au3 Au13 Au2 123.28(3) . . ?
Au3 Au13 Au5 59.82(2) . . ?
Au3 Au13 Au10 59.75(2) . . ?
Au5 Au13 Au1 117.08(3) . . ?
Au5 Au13 Au2 168.78(3) . . ?
Au6 Au13 Au1 67.98(2) . . ?
Au6 Au13 Au2 61.87(2) . . ?
Au6 Au13 Au3 144.44(3) . . ?
Au6 Au13 Au5 122.99(3) . . ?
Au6 Au13 Au10 155.63(3) . . ?
Au10 Au13 Au1 89.05(2) . . ?
Au10 Au13 Au2 111.48(2) . . ?
Au10 Au13 Au5 59.570(19) . . ?
Ga1 Au13 Au1 71.83(4) . . ?
Ga1 Au13 Au2 56.88(4) . . ?
Ga1 Au13 Au3 80.23(4) . . ?
Ga1 Au13 Au5 116.23(4) . . ?
Ga1 Au13 Au6 118.42(4) . . ?
Ga1 Au13 Au10 57.60(4) . . ?
Ga3 Au13 Au1 108.95(5) . . ?
Ga3 Au13 Au2 124.18(5) . . ?
Ga3 Au13 Au3 98.78(5) . . ?
Ga3 Au13 Au5 62.77(5) . . ?
Ga3 Au13 Au6 62.66(5) . . ?
Ga3 Au13 Au10 121.50(5) . . ?
Ga3 Au13 Ga1 178.91(6) . . ?
Au10 Ga1 Au2 127.77(7) . . ?
Au10 Ga1 Au12 120.30(7) . . ?
Au11 Ga1 Au2 126.22(7) . . ?
Au11 Ga1 Au10 63.49(4) . . ?
Au11 Ga1 Au12 65.08(4) . . ?
Au12 Ga1 Au2 67.25(4) . . ?
Au13 Ga1 Au2 67.09(4) . . ?
Au13 Ga1 Au10 64.92(4) . . ?
Au13 Ga1 Au11 116.53(7) . . ?
Au13 Ga1 Au12 117.49(6) . . ?
Cl11 Ga1 Au2 112.36(12) . . ?
Cl11 Ga1 Au10 107.98(12) . . ?
Cl11 Ga1 Au11 110.17(11) . . ?
Cl11 Ga1 Au12 116.59(12) . . ?
Cl11 Ga1 Au13 118.99(12) . . ?
Au5 Ga2 Au9 123.82(6) . . ?
Au10 Ga2 Au5 63.78(4) . . ?
Au10 Ga2 Au9 61.76(4) . . ?
Cl21 Ga2 Au5 109.05(14) . . ?
Cl21 Ga2 Au9 99.39(15) . . ?
Cl21 Ga2 Au10 134.73(18) . . ?
Cl22 Ga2 Au5 108.31(15) . . ?
Cl22 Ga2 Au9 111.89(17) . . ?
Cl22 Ga2 Au10 123.26(19) . . ?
Cl22 Ga2 Cl21 101.8(2) . . ?
Au6 Ga3 Au5 125.00(6) . . ?
Au13 Ga3 Au5 64.69(4) . . ?
Au13 Ga3 Au6 62.86(5) . . ?
Cl31 Ga3 Au5 101.67(18) . . ?
Cl31 Ga3 Au6 103.23(18) . . ?
Cl31 Ga3 Au13 134.73(17) . . ?
Cl32 Ga3 Au5 108.92(13) . . ?
Cl32 Ga3 Au6 110.90(13) . . ?
Cl32 Ga3 Au13 120.65(15) . . ?
Cl32 Ga3 Cl31 104.6(2) . . ?
Au2 Ga4 Au1 53.93(4) . . ?
Au2 Ga4 Au6 66.35(5) . . ?
Au2 Ga4 Au7 65.08(5) . . ?
Au6 Ga4 Au1 65.22(4) . . ?
Au6 Ga4 Au7 129.04(7) . . ?
Au7 Ga4 Au1 74.40(5) . . ?
Cl41 Ga4 Au1 81.79(15) . . ?
Cl41 Ga4 Au2 135.31(16) . . ?
Cl41 Ga4 Au6 103.05(16) . . ?
Cl41 Ga4 Au7 100.47(16) . . ?
Cl41 Ga4 Cl42 98.5(2) . . ?
Cl42 Ga4 Au1 173.48(16) . . ?
Cl42 Ga4 Au2 126.17(17) . . ?
Cl42 Ga4 Au6 108.49(16) . . ?
Cl42 Ga4 Au7 111.84(16) . . ?
Au7 Ga5 Au8 120.93(7) . . ?
Au12 Ga5 Au7 61.67(5) . . ?
Au12 Ga5 Au8 62.88(5) . . ?
Cl51 Ga5 Au7 105.03(15) . . ?
Cl51 Ga5 Au8 104.95(16) . . ?
Cl51 Ga5 Au12 140.97(18) . . ?
Cl51 Ga5 Cl52 100.2(2) . . ?
Cl52 Ga5 Au7 116.2(2) . . ?
Cl52 Ga5 Au8 106.81(19) . . ?
Cl52 Ga5 Au12 118.8(2) . . ?
Au9 Ga6 Au8 126.39(6) . . ?
Au11 Ga6 Au8 63.99(5) . . ?
Au11 Ga6 Au9 62.79(4) . . ?
Cl61 Ga6 Au8 106.07(13) . . ?
Cl61 Ga6 Au9 108.38(13) . . ?
Cl61 Ga6 Au11 124.43(17) . . ?
Cl62 Ga6 Au8 106.32(14) . . ?
Cl62 Ga6 Au9 103.05(14) . . ?
Cl62 Ga6 Au11 130.77(16) . . ?
Cl62 Ga6 Cl61 104.8(2) . . ?
C101 P1 Au1 115.8(9) . . ?
C101 P1 C105 107.8(13) . . ?
C101 P1 C108 102.6(13) . . ?
C105 P1 Au1 114.3(9) . . ?
C105 P1 C108 99.5(16) . . ?
C108 P1 Au1 114.9(12) . . ?
C201 P2 Au2 114.7(6) . . ?
C201 P2 C205 105.1(10) . . ?
C205 P2 Au2 114.1(6) . . ?
C208 P2 Au2 112.9(6) . . ?
C208 P2 C201 105.5(8) . . ?
C208 P2 C205 103.4(8) . . ?
C301 P3 Au3 114.5(8) . . ?
C301 P3 C305 103.4(14) . . ?
C301 P3 C308 108.4(13) . . ?
C305 P3 Au3 116.6(11) . . ?
C305 P3 C308 99.5(14) . . ?
C308 P3 Au3 113.0(8) . . ?
C401 P4 Au4 114.0(8) . . ?
C401 P4 C408 103.1(14) . . ?
C405 P4 Au4 116.0(12) . . ?
C405 P4 C401 99.8(13) . . ?
C405 P4 C408 111.1(15) . . ?
C408 P4 Au4 111.5(10) . . ?
C501 P5 Au5 112.2(7) . . ?
C501 P5 C505 105.8(11) . . ?
C501 P5 C508 102.8(11) . . ?
C505 P5 Au5 111.8(7) . . ?
C505 P5 C508 105.7(13) . . ?
C508 P5 Au5 117.5(9) . . ?
C601 P6 Au6 117.0(7) . . ?
C601 P6 C605 102.0(9) . . ?
C601 P6 C608 104.8(10) . . ?
C605 P6 Au6 112.3(7) . . ?
C605 P6 C608 104.5(12) . . ?
C608 P6 Au6 114.8(6) . . ?
C701 P7 Au7 115.6(8) . . ?
C701 P7 C705 104.1(11) . . ?
C701 P7 C708 106.3(13) . . ?
C705 P7 Au7 110.3(8) . . ?
C708 P7 Au7 116.4(9) . . ?
C708 P7 C705 102.7(14) . . ?
C801 P8 Au8 112.6(6) . . ?
C805 P8 Au8 110.1(8) . . ?
C805 P8 C801 104.7(11) . . ?
C805 P8 C808 104.8(12) . . ?
C808 P8 Au8 119.1(7) . . ?
C808 P8 C801 104.3(12) . . ?
C901 P9 Au9 117.3(5) . . ?
C901 P9 C905 103.6(7) . . ?
C901 P9 C908 103.9(9) . . ?
C905 P9 Au9 109.1(6) . . ?
C905 P9 C908 105.5(9) . . ?
C908 P9 Au9 116.2(5) . . ?
H10B C104 H10C 109.5 . . ?
H10B C104 H10A 109.5 . . ?
H10C C104 H10A 109.5 . . ?
C103 C104 H10B 109.5 . . ?
C103 C104 H10C 109.5 . . ?
C103 C104 H10A 109.5 . . ?
P1 C101 H10E 108.2 . . ?
P1 C101 H10D 108.2 . . ?
H10E C101 H10D 107.3 . . ?
C102 C101 P1 116.5(12) . . ?
C102 C101 H10E 108.2 . . ?
C102 C101 H10D 108.2 . . ?
C101 C102 H10G 108.9 . . ?
C101 C102 H10F 108.9 . . ?
H10G C102 H10F 107.7 . . ?
C103 C102 C101 113.5 . . ?
C103 C102 H10G 108.9 . . ?
C103 C102 H10F 108.9 . . ?
C104 C103 H10I 108.8 . . ?
C104 C103 H10H 108.8 . . ?
C102 C103 C104 113.6 . . ?
C102 C103 H10I 108.8 . . ?
C102 C103 H10H 108.8 . . ?
H10I C103 H10H 107.7 . . ?
P1 C105 H10J 108.1 . . ?
P1 C105 H10K 108.1 . . ?
H10J C105 H10K 107.3 . . ?
C106 C105 P1 117(2) . . ?
C106 C105 H10J 108.1 . . ?
C106 C105 H10K 108.1 . . ?
C105 C106 H10L 107.5 . . ?
C105 C106 H10M 107.5 . . ?
H10L C106 H10M 107.0 . . ?
C107 C106 C105 119(3) . . ?
C107 C106 H10L 107.5 . . ?
C107 C106 H10M 107.5 . . ?
C106 C107 H10O 109.5 . . ?
C106 C107 H10N 109.5 . . ?
C106 C107 H10P 109.5 . . ?
H10O C107 H10N 109.5 . . ?
H10O C107 H10P 109.5 . . ?
H10N C107 H10P 109.5 . . ?
H11B C110 H11A 109.5 . . ?
H11B C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11C 109.5 . . ?
P1 C108 H10Q 109.9 . . ?
P1 C108 H10R 109.9 . . ?
H10Q C108 H10R 108.3 . . ?
C109 C108 P1 109(3) . . ?
C109 C108 H10Q 109.9 . . ?
C109 C108 H10R 109.9 . . ?
C110 C109 H10S 109.2 . . ?
C110 C109 H10T 109.2 . . ?
C108 C109 C110 112.1 . . ?
C108 C109 H10S 109.2 . . ?
C108 C109 H10T 109.2 . . ?
H10S C109 H10T 107.9 . . ?
H20D C204 H20E 109.5 . . ?
H20D C204 H20C 109.5 . . ?
H20E C204 H20C 109.5 . . ?
C203 C204 H20D 109.5 . . ?
C203 C204 H20E 109.5 . . ?
C203 C204 H20C 109.5 . . ?
P2 C201 H20G 108.2 . . ?
P2 C201 H20F 108.2 . . ?
H20G C201 H20F 107.4 . . ?
C202 C201 P2 116.3(9) . . ?
C202 C201 H20G 108.2 . . ?
C202 C201 H20F 108.2 . . ?
C201 C202 H20I 108.9 . . ?
C201 C202 H20H 108.9 . . ?
H20I C202 H20H 107.7 . . ?
C203 C202 C201 113.6 . . ?
C203 C202 H20I 108.9 . . ?
C203 C202 H20H 108.9 . . ?
C204 C203 H20K 108.9 . . ?
C204 C203 H20J 108.9 . . ?
C202 C203 C204 113.6 . . ?
C202 C203 H20K 108.9 . . ?
C202 C203 H20J 108.9 . . ?
H20K C203 H20J 107.7 . . ?
P2 C205 H20L 108.8 . . ?
P2 C205 H20M 108.8 . . ?
H20L C205 H20M 107.7 . . ?
C206 C205 P2 113.9(14) . . ?
C206 C205 H20L 108.8 . . ?
C206 C205 H20M 108.8 . . ?
C205 C206 H20A 109.3 . . ?
C205 C206 H20B 109.3 . . ?
C205 C206 C207 112(2) . . ?
H20A C206 H20B 107.9 . . ?
C207 C206 H20A 109.3 . . ?
C207 C206 H20B 109.3 . . ?
C206 C207 H20N 109.5 . . ?
C206 C207 H20P 109.5 . . ?
C206 C207 H20O 109.5 . . ?
H20N C207 H20P 109.5 . . ?
H20N C207 H20O 109.5 . . ?
H20P C207 H20O 109.5 . . ?
P2 C208 H20Q 108.8 . . ?
P2 C208 H20R 108.8 . . ?
H20Q C208 H20R 107.7 . . ?
C209 C208 P2 113.9(12) . . ?
C209 C208 H20Q 108.8 . . ?
C209 C208 H20R 108.8 . . ?
C208 C209 H20S 108.8 . . ?
C208 C209 H20T 108.8 . . ?
H20S C209 H20T 107.7 . . ?
C210 C209 C208 113.9(16) . . ?
C210 C209 H20S 108.8 . . ?
C210 C209 H20T 108.8 . . ?
C209 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C209 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
P3 C301 H30A 108.4 . . ?
P3 C301 H30B 108.4 . . ?
H30A C301 H30B 107.5 . . ?
C302 C301 P3 115.5(11) . . ?
C302 C301 H30A 108.4 . . ?
C302 C301 H30B 108.4 . . ?
C301 C302 H30C 108.9 . . ?
C301 C302 H30D 108.9 . . ?
H30C C302 H30D 107.7 . . ?
C303 C302 C301 113.5 . . ?
C303 C302 H30C 108.9 . . ?
C303 C302 H30D 108.9 . . ?
C302 C303 H30E 108.9 . . ?
C302 C303 H30F 108.9 . . ?
C302 C303 C304 113.5 . . ?
H30E C303 H30F 107.7 . . ?
C304 C303 H30E 108.9 . . ?
C304 C303 H30F 108.9 . . ?
C303 C304 H30H 109.5 . . ?
C303 C304 H30I 109.5 . . ?
C303 C304 H30G 109.5 . . ?
H30H C304 H30I 109.5 . . ?
H30H C304 H30G 109.5 . . ?
H30I C304 H30G 109.5 . . ?
P3 C305 H30J 108.3 . . ?
P3 C305 H30K 108.3 . . ?
H30J C305 H30K 107.4 . . ?
C306 C305 P3 116(2) . . ?
C306 C305 H30J 108.3 . . ?
C306 C305 H30K 108.3 . . ?
C305 C306 H30L 107.0 . . ?
C305 C306 H30M 107.0 . . ?
C305 C306 C307 121(3) . . ?
H30L C306 H30M 106.8 . . ?
C307 C306 H30L 107.0 . . ?
C307 C306 H30M 107.0 . . ?
C306 C307 H30O 109.5 . . ?
C306 C307 H30P 109.5 . . ?
C306 C307 H30N 109.5 . . ?
H30O C307 H30P 109.5 . . ?
H30O C307 H30N 109.5 . . ?
H30P C307 H30N 109.5 . . ?
P3 C308 H30Q 109.1 . . ?
P3 C308 H30R 109.1 . . ?
H30Q C308 H30R 107.8 . . ?
C309 C308 P3 113(2) . . ?
C309 C308 H30Q 109.1 . . ?
C309 C308 H30R 109.1 . . ?
C308 C309 H30S 109.4 . . ?
C308 C309 H30T 109.4 . . ?
C308 C309 C310 111(3) . . ?
H30S C309 H30T 108.0 . . ?
C310 C309 H30S 109.4 . . ?
C310 C309 H30T 109.4 . . ?
C309 C310 H31B 109.5 . . ?
C309 C310 H31A 109.5 . . ?
C309 C310 H31C 109.5 . . ?
H31B C310 H31A 109.5 . . ?
H31B C310 H31C 109.5 . . ?
H31A C310 H31C 109.5 . . ?
P4 C401 H40A 109.2 . . ?
P4 C401 H40B 109.2 . . ?
H40A C401 H40B 107.9 . . ?
C402 C401 P4 112.0(17) . . ?
C402 C401 H40A 109.2 . . ?
C402 C401 H40B 109.2 . . ?
C401 C402 H40C 109.7 . . ?
C401 C402 H40D 109.7 . . ?
C401 C402 C403 110(2) . . ?
H40C C402 H40D 108.2 . . ?
C403 C402 H40C 109.7 . . ?
C403 C402 H40D 109.7 . . ?
C402 C403 H40E 109.2 . . ?
C402 C403 H40F 109.2 . . ?
H40E C403 H40F 107.9 . . ?
C404 C403 C402 112.1 . . ?
C404 C403 H40E 109.2 . . ?
C404 C403 H40F 109.2 . . ?
C403 C404 H40G 109.5 . . ?
C403 C404 H40I 109.5 . . ?
C403 C404 H40H 109.5 . . ?
H40G C404 H40I 109.5 . . ?
H40G C404 H40H 109.5 . . ?
H40I C404 H40H 109.5 . . ?
P4 C405 H40J 109.2 . . ?
P4 C405 H40K 109.2 . . ?
H40J C405 H40K 107.9 . . ?
C406 C405 P4 112(2) . . ?
C406 C405 H40J 109.2 . . ?
C406 C405 H40K 109.2 . . ?
C405 C406 H40L 109.5 . . ?
C405 C406 H40M 109.5 . . ?
C405 C406 C407 111(3) . . ?
H40L C406 H40M 108.1 . . ?
C407 C406 H40L 109.5 . . ?
C407 C406 H40M 109.5 . . ?
C406 C407 H40N 109.5 . . ?
C406 C407 H40P 109.5 . . ?
C406 C407 H40O 109.5 . . ?
H40N C407 H40P 109.5 . . ?
H40N C407 H40O 109.5 . . ?
H40P C407 H40O 109.5 . . ?
P4 C408 H40Q 108.2 . . ?
P4 C408 H40R 108.2 . . ?
P4 C408 H40S 108.8 . . ?
P4 C408 H40T 108.8 . . ?
H40Q C408 H40R 107.3 . . ?
H40S C408 H40T 107.7 . . ?
C409 C408 P4 116(4) . . ?
C409 C408 H40Q 108.2 . . ?
C409 C408 H40R 108.2 . . ?
C411 C408 P4 114(3) . . ?
C411 C408 H40S 108.8 . . ?
C411 C408 H40T 108.8 . . ?
C408 C409 H40V 108.1 . . ?
C408 C409 H40U 108.1 . . ?
C408 C409 C410 117(5) . . ?
H40V C409 H40U 107.3 . . ?
C410 C409 H40V 108.1 . . ?
C410 C409 H40U 108.1 . . ?
C409 C410 H41A 109.5 . . ?
C409 C410 H41C 109.5 . . ?
C409 C410 H41B 109.5 . . ?
H41A C410 H41C 109.5 . . ?
H41A C410 H41B 109.5 . . ?
H41C C410 H41B 109.5 . . ?
C408 C411 H41E 111.8 . . ?
C408 C411 H41D 111.8 . . ?
H41E C411 H41D 109.5 . . ?
C412 C411 C408 100(6) . . ?
C412 C411 H41E 111.8 . . ?
C412 C411 H41D 111.8 . . ?
C411 C412 H41G 109.5 . . ?
C411 C412 H41F 109.5 . . ?
C411 C412 H41H 109.5 . . ?
H41G C412 H41F 109.5 . . ?
H41G C412 H41H 109.5 . . ?
H41F C412 H41H 109.5 . . ?
H50B C504 H50C 109.5 . . ?
H50B C504 H50A 109.5 . . ?
H50C C504 H50A 109.5 . . ?
C503 C504 H50B 109.5 . . ?
C503 C504 H50C 109.5 . . ?
C503 C504 H50A 109.5 . . ?
P5 C501 H50E 108.7 . . ?
P5 C501 H50D 108.7 . . ?
H50E C501 H50D 107.6 . . ?
C502 C501 P5 114.3(11) . . ?
C502 C501 H50E 108.7 . . ?
C502 C501 H50D 108.7 . . ?
C501 C502 H50G 108.8 . . ?
C501 C502 H50F 108.8 . . ?
H50G C502 H50F 107.7 . . ?
C503 C502 C501 113.6 . . ?
C503 C502 H50G 108.8 . . ?
C503 C502 H50F 108.8 . . ?
C504 C503 H50I 108.8 . . ?
C504 C503 H50H 108.8 . . ?
C502 C503 C504 113.6 . . ?
C502 C503 H50I 108.8 . . ?
C502 C503 H50H 108.8 . . ?
H50I C503 H50H 107.7 . . ?
P5 C505 H50J 108.2 . . ?
P5 C505 H50K 108.2 . . ?
H50J C505 H50K 107.3 . . ?
C506 C505 P5 116.4(15) . . ?
C506 C505 H50J 108.2 . . ?
C506 C505 H50K 108.2 . . ?
C505 C506 H50L 110.6 . . ?
C505 C506 H50M 110.6 . . ?
C505 C506 C507 105.5(18) . . ?
H50L C506 H50M 108.8 . . ?
C507 C506 H50L 110.6 . . ?
C507 C506 H50M 110.6 . . ?
C506 C507 H50O 109.5 . . ?
C506 C507 H50N 109.5 . . ?
C506 C507 H50P 109.5 . . ?
H50O C507 H50N 109.5 . . ?
H50O C507 H50P 109.5 . . ?
H50N C507 H50P 109.5 . . ?
P5 C508 H50R 108.8 . . ?
P5 C508 H50Q 108.8 . . ?
H50R C508 H50Q 107.7 . . ?
C509 C508 P5 113.8(16) . . ?
C509 C508 H50R 108.8 . . ?
C509 C508 H50Q 108.8 . . ?
C508 C509 H50T 108.9 . . ?
C508 C509 H50S 108.9 . . ?
H50T C509 H50S 107.7 . . ?
C510 C509 C508 113.6 . . ?
C510 C509 H50T 108.9 . . ?
C510 C509 H50S 108.9 . . ?
C509 C510 H51B 109.5 . . ?
C509 C510 H51A 109.5 . . ?
C509 C510 H51C 109.5 . . ?
H51B C510 H51A 109.5 . . ?
H51B C510 H51C 109.5 . . ?
H51A C510 H51C 109.5 . . ?
H60B C604 H60A 109.5 . . ?
H60B C604 H60C 109.5 . . ?
H60A C604 H60C 109.5 . . ?
C603 C604 H60B 109.5 . . ?
C603 C604 H60A 109.5 . . ?
C603 C604 H60C 109.5 . . ?
P6 C601 H60D 108.6 . . ?
P6 C601 H60E 108.6 . . ?
H60D C601 H60E 107.5 . . ?
C602 C601 P6 114.8(9) . . ?
C602 C601 H60D 108.6 . . ?
C602 C601 H60E 108.6 . . ?
C601 C602 H60F 108.9 . . ?
C601 C602 H60G 108.9 . . ?
H60F C602 H60G 107.7 . . ?
C603 C602 C601 113.5 . . ?
C603 C602 H60F 108.9 . . ?
C603 C602 H60G 108.9 . . ?
C604 C603 H60H 108.9 . . ?
C604 C603 H60I 108.9 . . ?
C602 C603 C604 113.4 . . ?
C602 C603 H60H 108.9 . . ?
C602 C603 H60I 108.9 . . ?
H60H C603 H60I 107.7 . . ?
P6 C605 H60J 109.6 . . ?
P6 C605 H60K 109.6 . . ?
H60J C605 H60K 108.1 . . ?
C606 C605 P6 110.4(18) . . ?
C606 C605 H60J 109.6 . . ?
C606 C605 H60K 109.6 . . ?
C605 C606 H60L 109.1 . . ?
C605 C606 H60M 109.1 . . ?
C605 C606 C607 112(3) . . ?
H60L C606 H60M 107.8 . . ?
C607 C606 H60L 109.1 . . ?
C607 C606 H60M 109.1 . . ?
C606 C607 H60O 109.5 . . ?
C606 C607 H60P 109.5 . . ?
C606 C607 H60N 109.5 . . ?
H60O C607 H60P 109.5 . . ?
H60O C607 H60N 109.5 . . ?
H60P C607 H60N 109.5 . . ?
P6 C608 H60Q 108.0 . . ?
P6 C608 H60R 108.0 . . ?
H60Q C608 H60R 107.2 . . ?
C609 C608 P6 117.4(16) . . ?
C609 C608 H60Q 108.0 . . ?
C609 C608 H60R 108.0 . . ?
C608 C609 H60S 110.1 . . ?
C608 C609 H60T 110.1 . . ?
C608 C609 C610 108(2) . . ?
H60S C609 H60T 108.4 . . ?
C610 C609 H60S 110.1 . . ?
C610 C609 H60T 110.1 . . ?
C609 C610 H61B 109.5 . . ?
C609 C610 H61A 109.5 . . ?
C609 C610 H61C 109.5 . . ?
H61B C610 H61A 109.5 . . ?
H61B C610 H61C 109.5 . . ?
H61A C610 H61C 109.5 . . ?
H70B C704 H70C 109.5 . . ?
H70B C704 H70A 109.5 . . ?
H70C C704 H70A 109.5 . . ?
C703 C704 H70B 109.5 . . ?
C703 C704 H70C 109.5 . . ?
C703 C704 H70A 109.5 . . ?
P7 C701 H70E 108.7 . . ?
P7 C701 H70D 108.7 . . ?
H70E C701 H70D 107.6 . . ?
C702 C701 P7 114.3(11) . . ?
C702 C701 H70E 108.7 . . ?
C702 C701 H70D 108.7 . . ?
C701 C702 H70G 108.9 . . ?
C701 C702 H70F 108.9 . . ?
H70G C702 H70F 107.7 . . ?
C703 C702 C701 113.5 . . ?
C703 C702 H70G 108.9 . . ?
C703 C702 H70F 108.9 . . ?
C704 C703 H70I 108.9 . . ?
C704 C703 H70H 108.9 . . ?
C702 C703 C704 113.5 . . ?
C702 C703 H70I 108.9 . . ?
C702 C703 H70H 108.9 . . ?
H70I C703 H70H 107.7 . . ?
P7 C705 H70J 107.7 . . ?
P7 C705 H70K 107.7 . . ?
H70J C705 H70K 107.1 . . ?
C706 C705 P7 118(3) . . ?
C706 C705 H70J 107.7 . . ?
C706 C705 H70K 107.7 . . ?
C705 C706 H70M 109.1 . . ?
C705 C706 H70L 109.1 . . ?
C705 C706 C707 112(3) . . ?
H70M C706 H70L 107.9 . . ?
C707 C706 H70M 109.1 . . ?
C707 C706 H70L 109.1 . . ?
C706 C707 H70O 109.5 . . ?
C706 C707 H70N 109.5 . . ?
C706 C707 H70P 109.5 . . ?
H70O C707 H70N 109.5 . . ?
H70O C707 H70P 109.5 . . ?
H70N C707 H70P 109.5 . . ?
P7 C708 H70Q 107.0 . . ?
P7 C708 H70R 107.0 . . ?
P7 C708 H70S 103.9 . . ?
P7 C708 H70T 103.9 . . ?
H70Q C708 H70R 106.8 . . ?
H70S C708 H70T 105.4 . . ?
C709 C708 P7 121(3) . . ?
C709 C708 H70Q 107.0 . . ?
C709 C708 H70R 107.0 . . ?
C711 C708 P7 133(4) . . ?
C711 C708 H70S 103.9 . . ?
C711 C708 H70T 103.9 . . ?
C708 C709 H70V 109.3 . . ?
C708 C709 H70U 109.3 . . ?
C708 C709 C710 112(4) . . ?
H70V C709 H70U 107.9 . . ?
C710 C709 H70V 109.3 . . ?
C710 C709 H70U 109.3 . . ?
C709 C710 H71B 109.5 . . ?
C709 C710 H71A 109.5 . . ?
C709 C710 H71C 109.5 . . ?
H71B C710 H71A 109.5 . . ?
H71B C710 H71C 109.5 . . ?
H71A C710 H71C 109.5 . . ?
C708 C711 H71E 105.3 . . ?
C708 C711 H71D 105.3 . . ?
H71E C711 H71D 106.0 . . ?
C712 C711 C708 128(8) . . ?
C712 C711 H71E 105.3 . . ?
C712 C711 H71D 105.3 . . ?
C711 C712 H71G 109.5 . . ?
C711 C712 H71F 109.5 . . ?
C711 C712 H71H 109.5 . . ?
H71G C712 H71F 109.5 . . ?
H71G C712 H71H 109.5 . . ?
H71F C712 H71H 109.5 . . ?
P8 C801 H80A 108.4 . . ?
P8 C801 H80B 108.4 . . ?
H80A C801 H80B 107.4 . . ?
C802 C801 P8 115.7(13) . . ?
C802 C801 H80A 108.4 . . ?
C802 C801 H80B 108.4 . . ?
C801 C802 H80C 109.3 . . ?
C801 C802 H80D 109.3 . . ?
C801 C802 C803 111.8(17) . . ?
H80C C802 H80D 107.9 . . ?
C803 C802 H80C 109.3 . . ?
C803 C802 H80D 109.3 . . ?
C802 C803 H80E 109.2 . . ?
C802 C803 H80F 109.2 . . ?
H80E C803 H80F 107.9 . . ?
C804 C803 C802 112.0 . . ?
C804 C803 H80E 109.2 . . ?
C804 C803 H80F 109.2 . . ?
C803 C804 H80G 109.5 . . ?
C803 C804 H80I 109.5 . . ?
C803 C804 H80H 109.5 . . ?
H80G C804 H80I 109.5 . . ?
H80G C804 H80H 109.5 . . ?
H80I C804 H80H 109.5 . . ?
P8 C805 H80J 108.9 . . ?
P8 C805 H80K 108.9 . . ?
H80J C805 H80K 107.7 . . ?
C806 C805 P8 113.3(15) . . ?
C806 C805 H80J 108.9 . . ?
C806 C805 H80K 108.9 . . ?
C805 C806 H80L 108.7 . . ?
C805 C806 H80M 108.7 . . ?
H80L C806 H80M 107.6 . . ?
C807 C806 C805 114(2) . . ?
C807 C806 H80L 108.7 . . ?
C807 C806 H80M 108.7 . . ?
C806 C807 H80N 109.5 . . ?
C806 C807 H80O 109.5 . . ?
C806 C807 H80P 109.5 . . ?
H80N C807 H80O 109.5 . . ?
H80N C807 H80P 109.5 . . ?
H80O C807 H80P 109.5 . . ?
P8 C808 H80Q 108.6 . . ?
P8 C808 H80R 108.6 . . ?
H80Q C808 H80R 107.6 . . ?
C809 C808 P8 114.7(15) . . ?
C809 C808 H80Q 108.6 . . ?
C809 C808 H80R 108.6 . . ?
C808 C809 H80S 108.4 . . ?
C808 C809 H80T 108.4 . . ?
C808 C809 C810 116(2) . . ?
H80S C809 H80T 107.4 . . ?
C810 C809 H80S 108.4 . . ?
C810 C809 H80T 108.4 . . ?
C809 C810 H81A 109.5 . . ?
C809 C810 H81B 109.5 . . ?
C809 C810 H81C 109.5 . . ?
H81A C810 H81B 109.5 . . ?
H81A C810 H81C 109.5 . . ?
H81B C810 H81C 109.5 . . ?
P9 C901 H90B 109.0 . . ?
P9 C901 H90A 109.0 . . ?
H90B C901 H90A 107.8 . . ?
C902 C901 P9 112.8(7) . . ?
C902 C901 H90B 109.0 . . ?
C902 C901 H90A 109.0 . . ?
C901 C902 H90D 108.9 . . ?
C901 C902 H90C 108.9 . . ?
H90D C902 H90C 107.7 . . ?
C903 C902 C901 113.6 . . ?
C903 C902 H90D 108.9 . . ?
C903 C902 H90C 108.9 . . ?
C902 C903 H90F 108.8 . . ?
C902 C903 H90E 108.8 . . ?
C902 C903 C904 113.7 . . ?
H90F C903 H90E 107.7 . . ?
C904 C903 H90F 108.8 . . ?
C904 C903 H90E 108.8 . . ?
C903 C904 H90H 109.5 . . ?
C903 C904 H90G 109.5 . . ?
C903 C904 H90I 109.5 . . ?
H90H C904 H90G 109.5 . . ?
H90H C904 H90I 109.5 . . ?
H90G C904 H90I 109.5 . . ?
P9 C905 H90J 109.0 . . ?
P9 C905 H90K 109.0 . . ?
H90J C905 H90K 107.8 . . ?
C906 C905 P9 112.8(14) . . ?
C906 C905 H90J 109.0 . . ?
C906 C905 H90K 109.0 . . ?
C905 C906 H90L 109.6 . . ?
C905 C906 H90M 109.6 . . ?
C905 C906 C907 110(2) . . ?
H90L C906 H90M 108.1 . . ?
C907 C906 H90L 109.6 . . ?
C907 C906 H90M 109.6 . . ?
C906 C907 H90N 109.5 . . ?
C906 C907 H90O 109.5 . . ?
C906 C907 H90P 109.5 . . ?
H90N C907 H90O 109.5 . . ?
H90N C907 H90P 109.5 . . ?
H90O C907 H90P 109.5 . . ?
P9 C908 H90Q 107.9 . . ?
P9 C908 H90R 107.9 . . ?
H90Q C908 H90R 107.2 . . ?
C909 C908 P9 117.6(13) . . ?
C909 C908 H90Q 107.9 . . ?
C909 C908 H90R 107.9 . . ?
C908 C909 H90S 109.8 . . ?
C908 C909 H90T 109.8 . . ?
C908 C909 C910 109.6(17) . . ?
H90S C909 H90T 108.2 . . ?
C910 C909 H90S 109.8 . . ?
C910 C909 H90T 109.8 . . ?
C909 C910 H91B 109.5 . . ?
C909 C910 H91C 109.5 . . ?
C909 C910 H91A 109.5 . . ?
H91B C910 H91C 109.5 . . ?
H91B C910 H91A 109.5 . . ?
H91C C910 H91A 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 P1 C101 C102 59.7(19) . . . . ?
Au1 P1 C105 C106 175(2) . . . . ?
Au1 P1 C108 C109 42(2) . . . . ?
Au2 P2 C201 C202 -174.9(12) . . . . ?
Au2 P2 C205 C206 -66.5(16) . . . . ?
Au2 P2 C208 C209 65.2(13) . . . . ?
Au3 P3 C301 C302 -49(2) . . . . ?
Au3 P3 C305 C306 -68(3) . . . . ?
Au3 P3 C308 C309 -64(2) . . . . ?
Au4 P4 C401 C402 -56(2) . . . . ?
Au4 P4 C405 C406 68(3) . . . . ?
Au4 P4 C408 C409 -64(4) . . . . ?
Au4 P4 C408 C411 164(3) . . . . ?
Au5 P5 C501 C502 -59.3(16) . . . . ?
Au5 P5 C505 C506 169.1(17) . . . . ?
Au5 P5 C508 C509 23(3) . . . . ?
Au6 P6 C601 C602 -72.2(14) . . . . ?
Au6 P6 C605 C606 70.7(18) . . . . ?
Au6 P6 C608 C609 -178.6(19) . . . . ?
Au7 P7 C701 C702 64.0(18) . . . . ?
Au7 P7 C705 C706 168(2) . . . . ?
Au7 P7 C708 C709 70(3) . . . . ?
Au7 P7 C708 C711 145(5) . . . . ?
Au8 P8 C801 C802 175.5(18) . . . . ?
Au8 P8 C805 C806 -58(2) . . . . ?
Au8 P8 C808 C809 69.6(17) . . . . ?
Au9 P9 C901 C902 64.1(12) . . . . ?
Au9 P9 C905 C906 -61.8(17) . . . . ?
Au9 P9 C908 C909 -179.0(17) . . . . ?
P1 C101 C102 C103 177(2) . . . . ?
P1 C105 C106 C107 177(3) . . . . ?
P1 C108 C109 C110 123(3) . . . . ?
P2 C201 C202 C203 176.3(18) . . . . ?
P2 C205 C206 C207 -176(2) . . . . ?
P2 C208 C209 C210 -173.9(14) . . . . ?
P3 C301 C302 C303 -179(2) . . . . ?
P3 C305 C306 C307 174(2) . . . . ?
P3 C308 C309 C310 -180(2) . . . . ?
P4 C401 C402 C403 176.6(14) . . . . ?
P4 C405 C406 C407 177(3) . . . . ?
P4 C408 C409 C410 -170(3) . . . . ?
P4 C408 C411 C412 170(4) . . . . ?
P5 C501 C502 C503 -179.2(18) . . . . ?
P5 C505 C506 C507 176(2) . . . . ?
P5 C508 C509 C510 172(2) . . . . ?
P6 C601 C602 C603 -171.0(17) . . . . ?
P6 C605 C606 C607 -172(2) . . . . ?
P6 C608 C609 C610 177(2) . . . . ?
P7 C701 C702 C703 175(2) . . . . ?
P7 C705 C706 C707 -164(3) . . . . ?
P7 C708 C709 C710 -167(3) . . . . ?
P7 C708 C711 C712 -157(8) . . . . ?
P8 C801 C802 C803 173.8(17) . . . . ?
P8 C805 C806 C807 -176(2) . . . . ?
P8 C808 C809 C810 178.3(18) . . . . ?
P9 C901 C902 C903 -176.4(13) . . . . ?
P9 C905 C906 C907 174.4(19) . . . . ?
P9 C908 C909 C910 -176(2) . . . . ?
C101 P1 C105 C106 -55(3) . . . . ?
C101 P1 C108 C109 -84(2) . . . . ?
C101 C102 C103 C104 -180.0 . . . . ?
C105 P1 C101 C102 -70(2) . . . . ?
C105 P1 C108 C109 165(2) . . . . ?
C108 P1 C101 C102 -174.2(19) . . . . ?
C108 P1 C105 C106 52(3) . . . . ?
C201 P2 C205 C206 60.0(16) . . . . ?
C201 P2 C208 C209 -60.7(14) . . . . ?
C201 C202 C203 C204 180.0 . . . . ?
C205 P2 C201 C202 58.8(16) . . . . ?
C205 P2 C208 C209 -170.9(12) . . . . ?
C208 P2 C201 C202 -50.1(16) . . . . ?
C208 P2 C205 C206 170.4(14) . . . . ?
C301 P3 C305 C306 58(3) . . . . ?
C301 P3 C308 C309 168(2) . . . . ?
C301 C302 C303 C304 -179.9 . . . . ?
C305 P3 C301 C302 -176.4(19) . . . . ?
C305 P3 C308 C309 61(2) . . . . ?
C308 P3 C301 C302 79(2) . . . . ?
C308 P3 C305 C306 170(3) . . . . ?
C401 P4 C405 C406 -169(3) . . . . ?
C401 P4 C408 C409 173(4) . . . . ?
C401 P4 C408 C411 42(3) . . . . ?
C401 C402 C403 C404 79(3) . . . . ?
C405 P4 C401 C402 179(2) . . . . ?
C405 P4 C408 C409 67(4) . . . . ?
C405 P4 C408 C411 -65(3) . . . . ?
C408 P4 C401 C402 65(2) . . . . ?
C408 P4 C405 C406 -61(3) . . . . ?
C501 P5 C505 C506 47(2) . . . . ?
C501 P5 C508 C509 146(2) . . . . ?
C501 C502 C503 C504 -180.0 . . . . ?
C505 P5 C501 C502 62.8(18) . . . . ?
C505 P5 C508 C509 -103(2) . . . . ?
C508 P5 C501 C502 173.5(17) . . . . ?
C508 P5 C505 C506 -62(2) . . . . ?
C601 P6 C605 C606 -163.3(17) . . . . ?
C601 P6 C608 C609 52(2) . . . . ?
C601 C602 C603 C604 -180.0 . . . . ?
C605 P6 C601 C602 164.9(14) . . . . ?
C605 P6 C608 C609 -55(2) . . . . ?
C608 P6 C601 C602 56.2(16) . . . . ?
C608 P6 C605 C606 -54.3(19) . . . . ?
C701 P7 C705 C706 43(3) . . . . ?
C701 P7 C708 C709 -159(3) . . . . ?
C701 P7 C708 C711 -84(6) . . . . ?
C701 C702 C703 C704 -180.0 . . . . ?
C705 P7 C701 C702 -174.8(17) . . . . ?
C705 P7 C708 C709 -50(3) . . . . ?
C705 P7 C708 C711 25(6) . . . . ?
C708 P7 C701 C702 -66.8(19) . . . . ?
C708 P7 C705 C706 -67(3) . . . . ?
C801 P8 C805 C806 63(2) . . . . ?
C801 P8 C808 C809 -57.0(18) . . . . ?
C801 C802 C803 C804 -69(3) . . . . ?
C805 P8 C801 C802 56(2) . . . . ?
C805 P8 C808 C809 -166.8(16) . . . . ?
C808 P8 C801 C802 -54(2) . . . . ?
C808 P8 C805 C806 172.5(18) . . . . ?
C901 P9 C905 C906 172.5(17) . . . . ?
C901 P9 C908 C909 -49(2) . . . . ?
C901 C902 C903 C904 -180.0 . . . . ?
C905 P9 C901 C902 -175.7(11) . . . . ?
C905 P9 C908 C909 60(2) . . . . ?
C908 P9 C901 C902 -65.6(13) . . . . ?
C908 P9 C905 C906 63.7(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 14.285
_oxdiff_exptl_absorpt_empirical_full_min 0.344
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluenen, pentane'
####################################################################### 
# 
# 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_24
_database_code_depnum_ccdc_archive 'CCDC 2226518'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2022-12-14 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_audit_creation_date             2021-11-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C81 H189 Au13 Cl10 Ga5 P9'
_chemical_formula_sum            'C81 H189 Au13 Cl10 Ga5 P9'
_chemical_formula_weight         4705.71
_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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   16.1624(5)
_cell_length_b                   27.8938(8)
_cell_length_c                   28.6686(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.5860(10)
_cell_angle_gamma                90
_cell_volume                     12883.3(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9358
_cell_measurement_temperature    200
_cell_measurement_theta_max      22.867
_cell_measurement_theta_min      2.260
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    16.114
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1536 before and 0.0718 after correction.
The Ratio of minimum to maximum transmission is 0.6559.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.426
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       trapezoid
_exptl_crystal_F_000             8648
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 -1.00 0.0200
1.00 0.00 1.00 0.0030
0.00 1.00 0.00 0.0380
0.00 -1.00 0.00 0.0430
-1.00 1.00 1.00 0.0350
1.00 -1.00 -1.00 0.0250
-1.00 -1.00 1.00 0.0340
0.00 1.00 1.00 0.0300
1.00 1.00 -1.00 0.0270

_exptl_crystal_size_max          0.093
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.044
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1032
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            224751
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.750
_diffrn_reflns_theta_max         24.750
_diffrn_reflns_theta_min         2.023
_diffrn_ambient_temperature      200
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16213
_reflns_number_total             22016
_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 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1220
_refine_ls_number_reflns         22016
_refine_ls_number_restraints     193
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.077
_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)+88.6929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0771
_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
 C604-C605 = C608-C607 = C509-C508
 1.54 with sigma of 0.02
 C608-C609
 1.54 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C405 \\sim C410: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C904 \\sim C913: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C905 \\sim C914: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C906 \\sim C915: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C909 \\sim C918: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C407 \\sim C413: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C307 \\sim C311: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C309) \\sim Ueq, Uanis(C312) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C414) \\sim Ueq, Uanis(C415) \\sim Ueq, Uanis(C409) \\sim Ueq,
Uanis(C413) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C910) \\sim Ueq, Uanis(C901) \\sim Ueq, Uanis(C911) \\sim Ueq,
Uanis(C902) \\sim Ueq, Uanis(C903) \\sim Ueq, Uanis(C912) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C915) \\sim Ueq, Uanis(C906) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C905) \\sim Ueq, Uanis(C914) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C909) \\sim Ueq, Uanis(C908) \\sim Ueq, Uanis(C917) \\sim Ueq,
Uanis(C907) \\sim Ueq, Uanis(C918) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C310) \\sim Ueq, Uanis(C307) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C507, C508, C509
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C310)=Sof(H31A)=Sof(H31B)=Sof(C311)=Sof(H31C)=Sof(H31D)=Sof(C312)=
 Sof(H31E)=Sof(H31F)=Sof(H31G)=Sof(C410)=Sof(H41A)=Sof(H41B)=Sof(C411)=
 Sof(H41C)=Sof(H41D)=Sof(C412)=Sof(H41E)=Sof(H41F)=Sof(H41G)=Sof(C413)=
 Sof(H41H)=Sof(H41I)=Sof(C414)=Sof(H41J)=Sof(H41K)=Sof(C415)=Sof(H41L)=
 Sof(H41M)=Sof(H41N)=Sof(C910)=Sof(H91A)=Sof(H91B)=Sof(C911)=Sof(H91C)=
 Sof(H91D)=Sof(C912)=Sof(H91E)=Sof(H91F)=Sof(H91G)=Sof(C913)=Sof(H91H)=
 Sof(H91I)=Sof(C914)=Sof(H91J)=Sof(H91K)=Sof(C915)=Sof(H91L)=Sof(H91M)=
 Sof(H91N)=Sof(C916)=Sof(H91O)=Sof(H91P)=Sof(C917)=Sof(H91Q)=Sof(H91R)=
 Sof(C918)=Sof(H91S)=Sof(H91T)=Sof(H91U)=1-FVAR(1)
 Sof(C307)=Sof(H30O)=Sof(H30P)=Sof(C308)=Sof(H30Q)=Sof(H30R)=Sof(C309)=
 Sof(H30S)=Sof(H30T)=Sof(H30U)=Sof(C404)=Sof(H40H)=Sof(H40I)=Sof(C405)=
 Sof(H40J)=Sof(H40K)=Sof(C406)=Sof(H40L)=Sof(H40M)=Sof(H40N)=Sof(C407)=
 Sof(H40O)=Sof(H40P)=Sof(C408)=Sof(H40Q)=Sof(H40R)=Sof(C409)=Sof(H40S)=
 Sof(H40T)=Sof(H40U)=Sof(C901)=Sof(H90A)=Sof(H90B)=Sof(C902)=Sof(H90C)=
 Sof(H90D)=Sof(C903)=Sof(H90E)=Sof(H90F)=Sof(H90G)=Sof(C904)=Sof(H90H)=
 Sof(H90I)=Sof(C905)=Sof(H90J)=Sof(H90K)=Sof(C906)=Sof(H90L)=Sof(H90M)=
 Sof(H90N)=Sof(C907)=Sof(H90O)=Sof(H90P)=Sof(C908)=Sof(H90Q)=Sof(H90R)=
 Sof(C909)=Sof(H90S)=Sof(H90T)=Sof(H90U)=FVAR(1)
6.a Free rotating group:
 C401(C402,C403), C410(C411,C412)
6.b Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C104(H10H,H10I), C105(H10J,H10K), C107(H10O,
 H10P), C108(H10Q,H10R), C201(H20K,H20L), C202(H20M,H20N), C204(H20O,H20P),
 C205(H20Q,H20R), C207(H20D,H20E), C208(H20F,H20G), C301(H30A,H30B), C302(H30C,
 H30D), C304(H30H,H30I), C305(H30J,H30K), C307(H30O,H30P), C308(H30Q,H30R),
 C310(H31A,H31B), C311(H31C,H31D), C401(H40A,H40B), C402(H40C,H40D), C404(H40H,
 H40I), C405(H40J,H40K), C407(H40O,H40P), C408(H40Q,H40R), C410(H41A,H41B),
 C411(H41C,H41D), C413(H41H,H41I), C414(H41J,H41K), C501(H50A,H50B), C502(H50C,
 H50D), C504(H50H,H50I), C505(H50J,H50K), C507(H50O,H50P), C508(H50Q,H50R),
 C601(H60A,H60B), C602(H60C,H60D), C604(H60H,H60I), C605(H60J,H60K), C607(H60O,
 H60P), C608(H60Q,H60R), C701(H70A,H70B), C702(H70C,H70D), C704(H70H,H70I),
 C705(H70J,H70K), C707(H70O,H70P), C708(H70Q,H70R), C801(H80A,H80B), C802(H80C,
 H80D), C804(H80H,H80I), C805(H80J,H80K), C807(H80O,H80P), C808(H80Q,H80R),
 C901(H90A,H90B), C902(H90C,H90D), C904(H90H,H90I), C905(H90J,H90K), C907(H90O,
 H90P), C908(H90Q,H90R), C910(H91A,H91B), C911(H91C,H91D), C913(H91H,H91I),
 C914(H91J,H91K), C916(H91O,H91P), C917(H91Q,H91R)
6.c Me refined with riding coordinates:
 C103(H10E,H10F,H10G), C106(H10L,H10M,H10N), C109(H10S,H10T,H10U), C203(H20A,
 H20B,H20C), C206(H20S,H20T,H20U), C209(H20H,H20I,H20J), C303(H30E,H30F,H30G),
 C306(H30L,H30M,H30N), C309(H30S,H30T,H30U), C312(H31E,H31F,H31G), C403(H40E,
 H40F,H40G), C406(H40L,H40M,H40N), C409(H40S,H40T,H40U), C412(H41E,H41F,H41G),
 C415(H41L,H41M,H41N), C503(H50E,H50F,H50G), C506(H50L,H50M,H50N), C509(H50S,
 H50T,H50U), C603(H60E,H60F,H60G), C606(H60L,H60M,H60N), C609(H60S,H60T,H60U),
 C703(H70E,H70F,H70G), C706(H70L,H70M,H70N), C709(H70S,H70T,H70U), C803(H80E,
 H80F,H80G), C806(H80L,H80M,H80N), C809(H80S,H80T,H80U), C903(H90E,H90F,H90G),
 C906(H90L,H90M,H90N), C909(H90S,H90T,H90U), C912(H91E,H91F,H91G), C915(H91L,
 H91M,H91N), C918(H91S,H91T,H91U)
;
_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 0.56157(2) 0.31565(2) 0.63236(2) 0.02719(9) Uani 1 1 d . . . . .
Au2 Au 0.51741(3) 0.28600(2) 0.54536(2) 0.03930(10) Uani 1 1 d . . . . .
Au3 Au 0.69844(2) 0.30946(2) 0.58156(2) 0.03603(10) Uani 1 1 d . . . . .
Au4 Au 0.62020(2) 0.22385(2) 0.60586(2) 0.03274(9) Uani 1 1 d . . . . .
Au5 Au 0.40004(3) 0.28828(2) 0.61501(2) 0.04094(11) Uani 1 1 d . . . . .
Au6 Au 0.44811(2) 0.39190(2) 0.63045(2) 0.03585(10) Uani 1 1 d . . . . .
Au7 Au 0.62270(3) 0.37042(2) 0.70408(2) 0.03771(10) Uani 1 1 d . . . . .
Au8 Au 0.68939(2) 0.27921(2) 0.68745(2) 0.03612(10) Uani 1 1 d . . . . .
Au9 Au 0.51918(2) 0.23556(2) 0.68135(2) 0.03190(9) Uani 1 1 d . . . . .
Au10 Au 0.45902(2) 0.32919(2) 0.70594(2) 0.03134(9) Uani 1 1 d . . . . .
Au11 Au 0.66604(3) 0.13904(2) 0.57732(2) 0.04839(12) Uani 1 1 d . . . . .
Au12 Au 0.46969(3) 0.16088(2) 0.72704(2) 0.04246(11) Uani 1 1 d . . . . .
Au13 Au 0.40663(3) 0.34464(2) 0.78881(2) 0.04050(11) Uani 1 1 d . . . . .
Ga1 Ga 0.59353(7) 0.38815(4) 0.58707(4) 0.0363(3) Uani 1 1 d . . . . .
Ga2 Ga 0.72489(8) 0.22306(4) 0.54741(4) 0.0441(3) Uani 1 1 d . . . . .
Ga3 Ga 0.55359(7) 0.15573(4) 0.64756(4) 0.0356(3) Uani 1 1 d . . . . .
Ga4 Ga 0.47165(7) 0.25820(4) 0.75951(4) 0.0346(3) Uani 1 1 d . . . . .
Ga5 Ga 0.35970(7) 0.39599(4) 0.70506(4) 0.0381(3) Uani 1 1 d . . . . .
Cl11 Cl 0.58621(18) 0.40600(10) 0.51000(9) 0.0492(7) Uani 1 1 d . . . . .
Cl12 Cl 0.65558(18) 0.45592(10) 0.61592(10) 0.0503(7) Uani 1 1 d . . . . .
Cl21 Cl 0.7000(2) 0.21538(13) 0.47027(11) 0.0714(10) Uani 1 1 d . . . . .
Cl22 Cl 0.8611(2) 0.20758(12) 0.55278(14) 0.0762(11) Uani 1 1 d . . . . .
Cl31 Cl 0.44900(19) 0.11386(11) 0.61148(11) 0.0577(8) Uani 1 1 d . . . . .
Cl32 Cl 0.63231(19) 0.09599(10) 0.68168(10) 0.0536(7) Uani 1 1 d . . . . .
Cl41 Cl 0.57758(19) 0.25327(11) 0.81463(10) 0.0564(8) Uani 1 1 d . . . . .
Cl42 Cl 0.36728(19) 0.22579(10) 0.79670(11) 0.0545(8) Uani 1 1 d . . . . .
Cl51 Cl 0.22467(19) 0.38134(13) 0.69136(13) 0.0696(10) Uani 1 1 d . . . . .
Cl52 Cl 0.3520(2) 0.46794(10) 0.73879(11) 0.0595(8) Uani 1 1 d . . . . .
P1 P 0.4246(2) 0.09316(11) 0.76378(11) 0.0514(8) Uani 1 1 d . . . . .
P2 P 0.3966(2) 0.45878(12) 0.58847(11) 0.0523(8) Uani 1 1 d . . . . .
P3 P 0.7105(2) 0.06812(12) 0.54686(14) 0.0668(10) Uani 1 1 d . . . . .
P4 P 0.2689(2) 0.25717(14) 0.60750(14) 0.0687(11) Uani 1 1 d . . . . .
P5 P 0.66003(19) 0.43062(10) 0.75546(11) 0.0444(7) Uani 1 1 d . . . . .
P6 P 0.78231(19) 0.23637(11) 0.73540(12) 0.0503(8) Uani 1 1 d . . . . .
P7 P 0.81572(18) 0.34650(11) 0.55513(11) 0.0451(7) Uani 1 1 d . . . . .
P8 P 0.4718(2) 0.26847(11) 0.47043(10) 0.0484(8) Uani 1 1 d . . . . .
P9 P 0.3617(2) 0.35910(12) 0.86142(11) 0.0556(9) Uani 1 1 d . . . . .
C101 C 0.4847(10) 0.0828(5) 0.8205(4) 0.080(4) Uani 1 1 d . . . . .
H10A H 0.4551 0.0583 0.8380 0.096 Uiso 1 1 calc R U . . .
H10B H 0.5392 0.0691 0.8142 0.096 Uiso 1 1 calc R U . . .
C102 C 0.4993(10) 0.1245(5) 0.8507(5) 0.086(5) Uani 1 1 d . . . . .
H10C H 0.4453 0.1402 0.8547 0.103 Uiso 1 1 calc R U . . .
H10D H 0.5340 0.1477 0.8348 0.103 Uiso 1 1 calc R U . . .
C103 C 0.5408(10) 0.1139(6) 0.8982(5) 0.091(5) Uani 1 1 d . . . . .
H10E H 0.5483 0.1437 0.9160 0.137 Uiso 1 1 calc R U . . .
H10F H 0.5063 0.0917 0.9147 0.137 Uiso 1 1 calc R U . . .
H10G H 0.5951 0.0992 0.8948 0.137 Uiso 1 1 calc R U . . .
C104 C 0.4363(7) 0.0383(3) 0.7320(4) 0.048(3) Uani 1 1 d . . . . .
H10H H 0.4085 0.0425 0.7002 0.057 Uiso 1 1 calc R U . . .
H10I H 0.4962 0.0336 0.7284 0.057 Uiso 1 1 calc R U . . .
C105 C 0.4026(8) -0.0078(4) 0.7530(5) 0.059(3) Uani 1 1 d . . . . .
H10J H 0.4272 -0.0115 0.7855 0.070 Uiso 1 1 calc R U . . .
H10K H 0.3417 -0.0048 0.7540 0.070 Uiso 1 1 calc R U . . .
C106 C 0.4216(10) -0.0523(4) 0.7251(5) 0.081(5) Uani 1 1 d . . . . .
H10L H 0.3989 -0.0806 0.7398 0.121 Uiso 1 1 calc R U . . .
H10M H 0.3963 -0.0492 0.6930 0.121 Uiso 1 1 calc R U . . .
H10N H 0.4818 -0.0558 0.7245 0.121 Uiso 1 1 calc R U . . .
C107 C 0.3185(9) 0.0954(5) 0.7769(5) 0.072(4) Uani 1 1 d . . . . .
H10O H 0.3047 0.0655 0.7931 0.087 Uiso 1 1 calc R U . . .
H10P H 0.3112 0.1224 0.7986 0.087 Uiso 1 1 calc R U . . .
C108 C 0.2607(9) 0.1015(6) 0.7350(7) 0.106(6) Uani 1 1 d . . . . .
H10Q H 0.2665 0.0736 0.7141 0.127 Uiso 1 1 calc R U . . .
H10R H 0.2768 0.1305 0.7180 0.127 Uiso 1 1 calc R U . . .
C109 C 0.1694(11) 0.1061(7) 0.7451(10) 0.179(12) Uani 1 1 d . . . . .
H10S H 0.1351 0.1100 0.7156 0.268 Uiso 1 1 calc R U . . .
H10T H 0.1521 0.0772 0.7611 0.268 Uiso 1 1 calc R U . . .
H10U H 0.1625 0.1342 0.7650 0.268 Uiso 1 1 calc R U . . .
C201 C 0.4588(8) 0.5144(4) 0.5994(6) 0.072(4) Uani 1 1 d . . . . .
H20K H 0.5134 0.5097 0.5867 0.087 Uiso 1 1 calc R U . . .
H20L H 0.4304 0.5409 0.5817 0.087 Uiso 1 1 calc R U . . .
C202 C 0.4731(11) 0.5292(6) 0.6487(6) 0.101(5) Uani 1 1 d . . . . .
H20M H 0.4909 0.5009 0.6679 0.121 Uiso 1 1 calc R U . . .
H20N H 0.4202 0.5409 0.6597 0.121 Uiso 1 1 calc R U . . .
C203 C 0.5392(10) 0.5687(6) 0.6560(7) 0.124(7) Uani 1 1 d . . . . .
H20A H 0.5463 0.5773 0.6893 0.186 Uiso 1 1 calc R U . . .
H20B H 0.5920 0.5571 0.6458 0.186 Uiso 1 1 calc R U . . .
H20C H 0.5213 0.5970 0.6377 0.186 Uiso 1 1 calc R U . . .
C204 C 0.2920(7) 0.4750(4) 0.6047(4) 0.050(3) Uani 1 1 d . . . . .
H20O H 0.2552 0.4469 0.5983 0.060 Uiso 1 1 calc R U . . .
H20P H 0.2954 0.4807 0.6388 0.060 Uiso 1 1 calc R U . . .
C205 C 0.2513(10) 0.5175(6) 0.5811(6) 0.102(6) Uani 1 1 d . . . . .
H20Q H 0.2526 0.5148 0.5467 0.123 Uiso 1 1 calc R U . . .
H20R H 0.2803 0.5473 0.5916 0.123 Uiso 1 1 calc R U . . .
C206 C 0.1590(10) 0.5182(9) 0.5949(7) 0.164(11) Uani 1 1 d . . . . .
H20S H 0.1298 0.5458 0.5800 0.245 Uiso 1 1 calc R U . . .
H20T H 0.1310 0.4885 0.5842 0.245 Uiso 1 1 calc R U . . .
H20U H 0.1585 0.5208 0.6289 0.245 Uiso 1 1 calc R U . . .
C207 C 0.3891(9) 0.4581(5) 0.5254(5) 0.075(4) Uani 1 1 d . . . . .
H20D H 0.3643 0.4886 0.5135 0.090 Uiso 1 1 calc R U . . .
H20E H 0.4455 0.4556 0.5144 0.090 Uiso 1 1 calc R U . . .
C208 C 0.3389(9) 0.4184(5) 0.5065(5) 0.079(4) Uani 1 1 d . . . . .
H20F H 0.2843 0.4190 0.5198 0.095 Uiso 1 1 calc R U . . .
H20G H 0.3666 0.3878 0.5156 0.095 Uiso 1 1 calc R U . . .
C209 C 0.3253(13) 0.4214(6) 0.4500(5) 0.126(8) Uani 1 1 d . . . . .
H20H H 0.2914 0.3943 0.4382 0.189 Uiso 1 1 calc R U . . .
H20I H 0.2971 0.4515 0.4409 0.189 Uiso 1 1 calc R U . . .
H20J H 0.3793 0.4203 0.4367 0.189 Uiso 1 1 calc R U . . .
C301 C 0.6950(8) 0.0168(4) 0.5844(5) 0.074(4) Uani 1 1 d . . . . .
H30A H 0.7224 -0.0115 0.5717 0.089 Uiso 1 1 calc R U . . .
H30B H 0.7220 0.0234 0.6160 0.089 Uiso 1 1 calc R U . . .
C302 C 0.6039(8) 0.0054(4) 0.5885(5) 0.065(4) Uani 1 1 d . . . . .
H30C H 0.5796 -0.0077 0.5584 0.078 Uiso 1 1 calc R U . . .
H30D H 0.5740 0.0354 0.5949 0.078 Uiso 1 1 calc R U . . .
C303 C 0.5918(12) -0.0305(5) 0.6274(5) 0.103(6) Uani 1 1 d . . . . .
H30E H 0.5324 -0.0369 0.6289 0.154 Uiso 1 1 calc R U . . .
H30F H 0.6204 -0.0605 0.6210 0.154 Uiso 1 1 calc R U . . .
H30G H 0.6147 -0.0174 0.6574 0.154 Uiso 1 1 calc R U . . .
C304 C 0.6611(10) 0.0540(5) 0.4893(5) 0.085(5) Uani 1 1 d . . . . .
H30H H 0.6006 0.0517 0.4920 0.102 Uiso 1 1 calc R U . . .
H30I H 0.6704 0.0813 0.4683 0.102 Uiso 1 1 calc R U . . .
C305 C 0.6885(13) 0.0087(6) 0.4659(7) 0.122(7) Uani 1 1 d . . . . .
H30J H 0.7495 0.0093 0.4646 0.146 Uiso 1 1 calc R U . . .
H30K H 0.6744 -0.0195 0.4848 0.146 Uiso 1 1 calc R U . . .
C306 C 0.6474(13) 0.0036(7) 0.4170(7) 0.134(8) Uani 1 1 d . . . . .
H30L H 0.6665 -0.0260 0.4028 0.200 Uiso 1 1 calc R U . . .
H30M H 0.5870 0.0024 0.4182 0.200 Uiso 1 1 calc R U . . .
H30N H 0.6621 0.0311 0.3980 0.200 Uiso 1 1 calc R U . . .
C307 C 0.807(2) 0.0711(14) 0.5281(14) 0.075(8) Uani 0.457(11) 1 d . U P A 1
H30O H 0.8189 0.0411 0.5114 0.090 Uiso 0.457(11) 1 calc R U P A 1
H30P H 0.8097 0.0979 0.5056 0.090 Uiso 0.457(11) 1 calc R U P A 1
C308 C 0.8809(17) 0.0791(11) 0.5717(10) 0.061(8) Uani 0.457(11) 1 d . . P A 1
H30Q H 0.8642 0.1060 0.5915 0.073 Uiso 0.457(11) 1 calc R U P A 1
H30R H 0.8841 0.0499 0.5914 0.073 Uiso 0.457(11) 1 calc R U P A 1
C309 C 0.967(2) 0.0896(13) 0.5562(13) 0.071(10) Uani 0.457(11) 1 d . U P A 1
H30S H 1.0061 0.0938 0.5837 0.106 Uiso 0.457(11) 1 calc R U P A 1
H30T H 0.9849 0.0628 0.5373 0.106 Uiso 0.457(11) 1 calc R U P A 1
H30U H 0.9650 0.1190 0.5374 0.106 Uiso 0.457(11) 1 calc R U P A 1
C310 C 0.834(2) 0.0620(11) 0.5557(11) 0.069(8) Uani 0.543(11) 1 d . U P A 2
H31A H 0.8559 0.0764 0.5857 0.083 Uiso 0.543(11) 1 calc R U P A 2
H31B H 0.8513 0.0280 0.5548 0.083 Uiso 0.543(11) 1 calc R U P A 2
C311 C 0.858(2) 0.0854(11) 0.5207(11) 0.087(7) Uani 0.543(11) 1 d . U P A 2
H31C H 0.8357 0.1185 0.5203 0.104 Uiso 0.543(11) 1 calc R U P A 2
H31D H 0.8386 0.0695 0.4910 0.104 Uiso 0.543(11) 1 calc R U P A 2
C312 C 0.962(3) 0.0862(16) 0.5274(15) 0.131(16) Uani 0.543(11) 1 d . U P A 2
H31E H 0.9831 0.1038 0.5014 0.197 Uiso 0.543(11) 1 calc R U P A 2
H31F H 0.9798 0.1020 0.5570 0.197 Uiso 0.543(11) 1 calc R U P A 2
H31G H 0.9827 0.0533 0.5278 0.197 Uiso 0.543(11) 1 calc R U P A 2
C401 C 0.2689(9) 0.1993(5) 0.5817(7) 0.109(6) Uani 1 1 d G . . . .
H40A H 0.2941 0.2029 0.5516 0.131 Uiso 1 1 calc R U . . .
H40B H 0.3077 0.1795 0.6020 0.131 Uiso 1 1 calc R U . . .
C402 C 0.1903(8) 0.1691(6) 0.5715(8) 0.170(10) Uani 1 1 d G . . . .
H40C H 0.1677 0.1603 0.6014 0.204 Uiso 1 1 calc R U . . .
H40D H 0.1479 0.1886 0.5532 0.204 Uiso 1 1 calc R U . . .
C403 C 0.2070(12) 0.1235(6) 0.5443(9) 0.206(14) Uani 1 1 d G . . . .
H40E H 0.1553 0.1054 0.5385 0.309 Uiso 1 1 calc R U . . .
H40F H 0.2284 0.1321 0.5143 0.309 Uiso 1 1 calc R U . . .
H40G H 0.2481 0.1039 0.5625 0.309 Uiso 1 1 calc R U . . .
C404 C 0.1994(14) 0.2623(9) 0.6489(9) 0.043(7) Uani 0.457(11) 1 d . . P A 1
H40H H 0.1861 0.2965 0.6535 0.052 Uiso 0.457(11) 1 calc R U P A 1
H40I H 0.1475 0.2453 0.6383 0.052 Uiso 0.457(11) 1 calc R U P A 1
C405 C 0.234(3) 0.242(3) 0.693(2) 0.084(12) Uani 0.457(11) 1 d . U P A 1
H40J H 0.2840 0.2603 0.7039 0.101 Uiso 0.457(11) 1 calc R U P A 1
H40K H 0.2522 0.2085 0.6869 0.101 Uiso 0.457(11) 1 calc R U P A 1
C406 C 0.176(3) 0.240(4) 0.7319(17) 0.077(16) Uani 0.457(11) 1 d . . P A 1
H40L H 0.2043 0.2261 0.7599 0.115 Uiso 0.457(11) 1 calc R U P A 1
H40M H 0.1585 0.2732 0.7389 0.115 Uiso 0.457(11) 1 calc R U P A 1
H40N H 0.1267 0.2213 0.7219 0.115 Uiso 0.457(11) 1 calc R U P A 1
C407 C 0.1961(18) 0.2844(12) 0.5561(12) 0.066(6) Uani 0.457(11) 1 d . U P A 1
H40O H 0.2214 0.2798 0.5261 0.079 Uiso 0.457(11) 1 calc R U P A 1
H40P H 0.1419 0.2677 0.5540 0.079 Uiso 0.457(11) 1 calc R U P A 1
C408 C 0.182(2) 0.3435(12) 0.5657(9) 0.067(10) Uani 0.457(11) 1 d . . P A 1
H40Q H 0.1602 0.3473 0.5967 0.081 Uiso 0.457(11) 1 calc R U P A 1
H40R H 0.2367 0.3595 0.5669 0.081 Uiso 0.457(11) 1 calc R U P A 1
C409 C 0.125(2) 0.3684(11) 0.5306(13) 0.050(8) Uani 0.457(11) 1 d . U P A 1
H40S H 0.1213 0.4022 0.5392 0.075 Uiso 0.457(11) 1 calc R U P A 1
H40T H 0.1470 0.3658 0.4998 0.075 Uiso 0.457(11) 1 calc R U P A 1
H40U H 0.0703 0.3536 0.5297 0.075 Uiso 0.457(11) 1 calc R U P A 1
C410 C 0.253(2) 0.245(2) 0.6743(16) 0.087(12) Uani 0.543(11) 1 d G U P A 2
H41A H 0.2919 0.2203 0.6864 0.104 Uiso 0.543(11) 1 calc R U P A 2
H41B H 0.2658 0.2752 0.6923 0.104 Uiso 0.543(11) 1 calc R U P A 2
C411 C 0.1643(17) 0.2297(11) 0.6827(10) 0.102(11) Uani 0.543(11) 1 d G . P A 2
H41C H 0.1245 0.2463 0.6601 0.123 Uiso 0.543(11) 1 calc R U P A 2
H41D H 0.1587 0.1948 0.6770 0.123 Uiso 0.543(11) 1 calc R U P A 2
C412 C 0.142(3) 0.241(3) 0.7324(13) 0.10(2) Uani 0.543(11) 1 d G . P A 2
H41E H 0.0854 0.2303 0.7363 0.147 Uiso 0.543(11) 1 calc R U P A 2
H41F H 0.1807 0.2240 0.7549 0.147 Uiso 0.543(11) 1 calc R U P A 2
H41G H 0.1465 0.2755 0.7380 0.147 Uiso 0.543(11) 1 calc R U P A 2
C413 C 0.1852(15) 0.2916(9) 0.5909(9) 0.068(6) Uani 0.543(11) 1 d . U P A 2
H41H H 0.1359 0.2707 0.5855 0.081 Uiso 0.543(11) 1 calc R U P A 2
H41I H 0.1749 0.3139 0.6166 0.081 Uiso 0.543(11) 1 calc R U P A 2
C414 C 0.1949(18) 0.3184(12) 0.5499(11) 0.068(8) Uani 0.543(11) 1 d . U P A 2
H41J H 0.2136 0.2960 0.5262 0.082 Uiso 0.543(11) 1 calc R U P A 2
H41K H 0.2407 0.3414 0.5573 0.082 Uiso 0.543(11) 1 calc R U P A 2
C415 C 0.123(3) 0.3460(12) 0.5275(15) 0.087(12) Uani 0.543(11) 1 d . U P A 2
H41L H 0.1402 0.3624 0.4996 0.130 Uiso 0.543(11) 1 calc R U P A 2
H41M H 0.0775 0.3239 0.5184 0.130 Uiso 0.543(11) 1 calc R U P A 2
H41N H 0.1047 0.3697 0.5497 0.130 Uiso 0.543(11) 1 calc R U P A 2
C501 C 0.6985(8) 0.4130(4) 0.8141(4) 0.059(3) Uani 1 1 d . . . . .
H50A H 0.7518 0.3959 0.8122 0.071 Uiso 1 1 calc R U . . .
H50B H 0.7100 0.4423 0.8329 0.071 Uiso 1 1 calc R U . . .
C502 C 0.6420(9) 0.3819(5) 0.8390(5) 0.079(4) Uani 1 1 d . . . . .
H50C H 0.6321 0.3519 0.8210 0.094 Uiso 1 1 calc R U . . .
H50D H 0.5879 0.3984 0.8401 0.094 Uiso 1 1 calc R U . . .
C503 C 0.6754(10) 0.3691(7) 0.8893(5) 0.107(6) Uani 1 1 d . . . . .
H50E H 0.6352 0.3486 0.9037 0.160 Uiso 1 1 calc R U . . .
H50F H 0.7282 0.3520 0.8886 0.160 Uiso 1 1 calc R U . . .
H50G H 0.6840 0.3986 0.9077 0.160 Uiso 1 1 calc R U . . .
C504 C 0.7407(8) 0.4688(4) 0.7349(5) 0.060(3) Uani 1 1 d . . . . .
H50H H 0.7164 0.4884 0.7085 0.072 Uiso 1 1 calc R U . . .
H50I H 0.7600 0.4910 0.7605 0.072 Uiso 1 1 calc R U . . .
C505 C 0.8142(8) 0.4425(5) 0.7193(5) 0.077(4) Uani 1 1 d . . . . .
H50J H 0.7949 0.4167 0.6973 0.092 Uiso 1 1 calc R U . . .
H50K H 0.8450 0.4274 0.7467 0.092 Uiso 1 1 calc R U . . .
C506 C 0.8717(10) 0.4761(6) 0.6953(6) 0.102(6) Uani 1 1 d . . . . .
H50L H 0.9192 0.4580 0.6854 0.153 Uiso 1 1 calc R U . . .
H50M H 0.8415 0.4907 0.6679 0.153 Uiso 1 1 calc R U . . .
H50N H 0.8915 0.5013 0.7172 0.153 Uiso 1 1 calc R U . . .
C507 C 0.5755(9) 0.4716(5) 0.7639(5) 0.080(4) Uani 1 1 d . U . . .
H50O H 0.5574 0.4862 0.7333 0.096 Uiso 1 1 calc R U . . .
H50P H 0.5282 0.4528 0.7741 0.096 Uiso 1 1 calc R U . . .
C508 C 0.5949(13) 0.5130(7) 0.8000(7) 0.153(9) Uani 1 1 d D U . . .
H50Q H 0.5992 0.4992 0.8320 0.183 Uiso 1 1 calc R U . . .
H50R H 0.6495 0.5271 0.7945 0.183 Uiso 1 1 calc R U . . .
C509 C 0.5312(15) 0.5517(8) 0.7974(9) 0.209(14) Uani 1 1 d D U . . .
H50S H 0.5469 0.5763 0.8208 0.313 Uiso 1 1 calc R U . . .
H50T H 0.5275 0.5660 0.7661 0.313 Uiso 1 1 calc R U . . .
H50U H 0.4772 0.5381 0.8036 0.313 Uiso 1 1 calc R U . . .
C601 C 0.7356(7) 0.1839(4) 0.7587(4) 0.052(3) Uani 1 1 d . . . . .
H60A H 0.6873 0.1948 0.7751 0.063 Uiso 1 1 calc R U . . .
H60B H 0.7134 0.1643 0.7318 0.063 Uiso 1 1 calc R U . . .
C602 C 0.7849(8) 0.1510(5) 0.7914(5) 0.066(4) Uani 1 1 d . . . . .
H60C H 0.8312 0.1376 0.7748 0.079 Uiso 1 1 calc R U . . .
H60D H 0.8096 0.1701 0.8181 0.079 Uiso 1 1 calc R U . . .
C603 C 0.7375(9) 0.1106(5) 0.8101(5) 0.087(5) Uani 1 1 d . . . . .
H60E H 0.7746 0.0911 0.8310 0.130 Uiso 1 1 calc R U . . .
H60F H 0.6925 0.1234 0.8274 0.130 Uiso 1 1 calc R U . . .
H60G H 0.7140 0.0908 0.7841 0.130 Uiso 1 1 calc R U . . .
C604 C 0.8179(9) 0.2702(5) 0.7909(5) 0.077(4) Uani 1 1 d D . . . .
H60H H 0.7697 0.2757 0.8094 0.092 Uiso 1 1 calc R U . . .
H60I H 0.8585 0.2502 0.8100 0.092 Uiso 1 1 calc R U . . .
C605 C 0.8563(10) 0.3165(4) 0.7811(5) 0.078(4) Uani 1 1 d D . . . .
H60J H 0.8140 0.3378 0.7652 0.094 Uiso 1 1 calc R U . . .
H60K H 0.9005 0.3113 0.7596 0.094 Uiso 1 1 calc R U . . .
C606 C 0.8931(9) 0.3406(4) 0.8248(5) 0.071(4) Uani 1 1 d . . . . .
H60L H 0.9179 0.3712 0.8166 0.106 Uiso 1 1 calc R U . . .
H60M H 0.8495 0.3464 0.8460 0.106 Uiso 1 1 calc R U . . .
H60N H 0.9360 0.3199 0.8403 0.106 Uiso 1 1 calc R U . . .
C607 C 0.8789(9) 0.2183(5) 0.7166(5) 0.081(4) Uani 1 1 d D . . . .
H60O H 0.9101 0.2472 0.7082 0.097 Uiso 1 1 calc R U . . .
H60P H 0.9114 0.2024 0.7430 0.097 Uiso 1 1 calc R U . . .
C608 C 0.8721(9) 0.1853(7) 0.6760(6) 0.108(6) Uani 1 1 d D . . . .
H60Q H 0.8375 0.2000 0.6498 0.130 Uiso 1 1 calc R U . . .
H60R H 0.8452 0.1550 0.6847 0.130 Uiso 1 1 calc R U . . .
C609 C 0.9626(10) 0.1743(7) 0.6602(6) 0.116(7) Uani 1 1 d D . . . .
H60S H 0.9583 0.1525 0.6334 0.174 Uiso 1 1 calc R U . . .
H60T H 0.9887 0.2043 0.6514 0.174 Uiso 1 1 calc R U . . .
H60U H 0.9964 0.1594 0.6862 0.174 Uiso 1 1 calc R U . . .
C701 C 0.8388(7) 0.3302(4) 0.4961(4) 0.054(3) Uani 1 1 d . . . . .
H70A H 0.8923 0.3449 0.4894 0.065 Uiso 1 1 calc R U . . .
H70B H 0.8455 0.2949 0.4945 0.065 Uiso 1 1 calc R U . . .
C702 C 0.7718(8) 0.3458(5) 0.4580(4) 0.067(4) Uani 1 1 d . . . . .
H70C H 0.7176 0.3323 0.4652 0.081 Uiso 1 1 calc R U . . .
H70D H 0.7669 0.3812 0.4583 0.081 Uiso 1 1 calc R U . . .
C703 C 0.7908(11) 0.3299(7) 0.4109(5) 0.107(6) Uani 1 1 d . . . . .
H70E H 0.7467 0.3406 0.3878 0.161 Uiso 1 1 calc R U . . .
H70F H 0.8439 0.3438 0.4034 0.161 Uiso 1 1 calc R U . . .
H70G H 0.7945 0.2949 0.4103 0.161 Uiso 1 1 calc R U . . .
C704 C 0.8179(7) 0.4114(4) 0.5547(4) 0.051(3) Uani 1 1 d . . . . .
H70H H 0.7707 0.4227 0.5335 0.061 Uiso 1 1 calc R U . . .
H70I H 0.8083 0.4227 0.5866 0.061 Uiso 1 1 calc R U . . .
C705 C 0.8959(8) 0.4355(5) 0.5402(5) 0.072(4) Uani 1 1 d . . . . .
H70J H 0.9042 0.4266 0.5075 0.087 Uiso 1 1 calc R U . . .
H70K H 0.9443 0.4236 0.5603 0.087 Uiso 1 1 calc R U . . .
C706 C 0.8920(10) 0.4897(5) 0.5441(6) 0.090(5) Uani 1 1 d . . . . .
H70L H 0.9436 0.5036 0.5344 0.135 Uiso 1 1 calc R U . . .
H70M H 0.8449 0.5017 0.5238 0.135 Uiso 1 1 calc R U . . .
H70N H 0.8850 0.4987 0.5766 0.135 Uiso 1 1 calc R U . . .
C707 C 0.9091(7) 0.3303(4) 0.5916(4) 0.057(3) Uani 1 1 d . . . . .
H70O H 0.9163 0.2950 0.5907 0.068 Uiso 1 1 calc R U . . .
H70P H 0.9578 0.3450 0.5784 0.068 Uiso 1 1 calc R U . . .
C708 C 0.9070(8) 0.3459(5) 0.6420(5) 0.069(4) Uani 1 1 d . . . . .
H70Q H 0.8636 0.3275 0.6568 0.082 Uiso 1 1 calc R U . . .
H70R H 0.8921 0.3803 0.6430 0.082 Uiso 1 1 calc R U . . .
C709 C 0.9909(8) 0.3381(6) 0.6700(5) 0.085(5) Uani 1 1 d . . . . .
H70S H 0.9872 0.3486 0.7024 0.128 Uiso 1 1 calc R U . . .
H70T H 1.0053 0.3039 0.6696 0.128 Uiso 1 1 calc R U . . .
H70U H 1.0338 0.3567 0.6558 0.128 Uiso 1 1 calc R U . . .
C801 C 0.3624(8) 0.2853(5) 0.4603(4) 0.064(4) Uani 1 1 d . . . . .
H80A H 0.3348 0.2755 0.4884 0.077 Uiso 1 1 calc R U . . .
H80B H 0.3603 0.3208 0.4591 0.077 Uiso 1 1 calc R U . . .
C802 C 0.3106(9) 0.2676(6) 0.4194(5) 0.094(5) Uani 1 1 d . . . . .
H80C H 0.3354 0.2787 0.3908 0.113 Uiso 1 1 calc R U . . .
H80D H 0.3128 0.2322 0.4195 0.113 Uiso 1 1 calc R U . . .
C803 C 0.2232(9) 0.2822(7) 0.4161(6) 0.110(6) Uani 1 1 d . . . . .
H80E H 0.1946 0.2685 0.3878 0.166 Uiso 1 1 calc R U . . .
H80F H 0.1970 0.2705 0.4437 0.166 Uiso 1 1 calc R U . . .
H80G H 0.2196 0.3172 0.4148 0.166 Uiso 1 1 calc R U . . .
C804 C 0.5288(8) 0.2997(5) 0.4264(4) 0.058(3) Uani 1 1 d . . . . .
H80H H 0.5264 0.3344 0.4335 0.070 Uiso 1 1 calc R U . . .
H80I H 0.5877 0.2900 0.4318 0.070 Uiso 1 1 calc R U . . .
C805 C 0.5055(9) 0.2942(5) 0.3760(5) 0.076(4) Uani 1 1 d . . . . .
H80J H 0.4517 0.3105 0.3684 0.091 Uiso 1 1 calc R U . . .
H80K H 0.4975 0.2597 0.3690 0.091 Uiso 1 1 calc R U . . .
C806 C 0.5684(10) 0.3142(6) 0.3451(5) 0.100(5) Uani 1 1 d . . . . .
H80L H 0.5489 0.3093 0.3122 0.150 Uiso 1 1 calc R U . . .
H80M H 0.5757 0.3486 0.3513 0.150 Uiso 1 1 calc R U . . .
H80N H 0.6216 0.2977 0.3518 0.150 Uiso 1 1 calc R U . . .
C807 C 0.4751(9) 0.2052(4) 0.4551(4) 0.064(4) Uani 1 1 d . . . . .
H80O H 0.4421 0.2002 0.4249 0.076 Uiso 1 1 calc R U . . .
H80P H 0.5332 0.1962 0.4508 0.076 Uiso 1 1 calc R U . . .
C808 C 0.4423(11) 0.1729(5) 0.4912(5) 0.089(5) Uani 1 1 d . . . . .
H80Q H 0.4771 0.1771 0.5209 0.107 Uiso 1 1 calc R U . . .
H80R H 0.3854 0.1834 0.4967 0.107 Uiso 1 1 calc R U . . .
C809 C 0.4397(12) 0.1206(5) 0.4792(6) 0.110(6) Uani 1 1 d . . . . .
H80S H 0.4175 0.1026 0.5048 0.166 Uiso 1 1 calc R U . . .
H80T H 0.4039 0.1157 0.4504 0.166 Uiso 1 1 calc R U . . .
H80U H 0.4959 0.1094 0.4747 0.166 Uiso 1 1 calc R U . . .
C901 C 0.344(2) 0.4209(13) 0.8727(13) 0.084(10) Uani 0.457(11) 1 d . U P A 1
H90A H 0.3032 0.4333 0.8482 0.100 Uiso 0.457(11) 1 calc R U P A 1
H90B H 0.3196 0.4237 0.9031 0.100 Uiso 0.457(11) 1 calc R U P A 1
C902 C 0.421(3) 0.4528(16) 0.8742(16) 0.103(14) Uani 0.457(11) 1 d . U P A 1
H90C H 0.4696 0.4329 0.8855 0.124 Uiso 0.457(11) 1 calc R U P A 1
H90D H 0.4298 0.4621 0.8416 0.124 Uiso 0.457(11) 1 calc R U P A 1
C903 C 0.424(3) 0.4962(14) 0.9020(14) 0.101(13) Uani 0.457(11) 1 d . U P A 1
H90E H 0.4773 0.5125 0.8992 0.151 Uiso 0.457(11) 1 calc R U P A 1
H90F H 0.3786 0.5174 0.8907 0.151 Uiso 0.457(11) 1 calc R U P A 1
H90G H 0.4186 0.4880 0.9348 0.151 Uiso 0.457(11) 1 calc R U P A 1
C904 C 0.419(2) 0.3377(13) 0.9112(11) 0.067(6) Uani 0.457(11) 1 d . U P A 1
H90H H 0.4665 0.3596 0.9175 0.080 Uiso 0.457(11) 1 calc R U P A 1
H90I H 0.3833 0.3413 0.9376 0.080 Uiso 0.457(11) 1 calc R U P A 1
C905 C 0.451(2) 0.2900(12) 0.9132(11) 0.066(7) Uani 0.457(11) 1 d . U P A 1
H90J H 0.4828 0.2892 0.8852 0.079 Uiso 0.457(11) 1 calc R U P A 1
H90K H 0.4002 0.2710 0.9042 0.079 Uiso 0.457(11) 1 calc R U P A 1
C906 C 0.500(3) 0.2547(13) 0.9457(16) 0.071(9) Uani 0.457(11) 1 d . U P A 1
H90L H 0.5062 0.2241 0.9294 0.106 Uiso 0.457(11) 1 calc R U P A 1
H90M H 0.5556 0.2680 0.9545 0.106 Uiso 0.457(11) 1 calc R U P A 1
H90N H 0.4712 0.2494 0.9739 0.106 Uiso 0.457(11) 1 calc R U P A 1
C907 C 0.264(3) 0.3336(18) 0.8652(15) 0.102(15) Uani 0.457(11) 1 d . U P A 1
H90O H 0.2719 0.2985 0.8680 0.123 Uiso 0.457(11) 1 calc R U P A 1
H90P H 0.2433 0.3447 0.8949 0.123 Uiso 0.457(11) 1 calc R U P A 1
C908 C 0.197(2) 0.3420(15) 0.8278(13) 0.077(11) Uani 0.457(11) 1 d . U P A 1
H90Q H 0.2214 0.3332 0.7983 0.092 Uiso 0.457(11) 1 calc R U P A 1
H90R H 0.1894 0.3772 0.8267 0.092 Uiso 0.457(11) 1 calc R U P A 1
C909 C 0.112(4) 0.321(2) 0.8240(17) 0.086(10) Uani 0.457(11) 1 d . U P A 1
H90S H 0.0813 0.3333 0.7955 0.129 Uiso 0.457(11) 1 calc R U P A 1
H90T H 0.1156 0.2863 0.8227 0.129 Uiso 0.457(11) 1 calc R U P A 1
H90U H 0.0832 0.3308 0.8514 0.129 Uiso 0.457(11) 1 calc R U P A 1
C910 C 0.4020(18) 0.4117(9) 0.8939(9) 0.070(7) Uani 0.543(11) 1 d . U P A 2
H91A H 0.3818 0.4116 0.9256 0.084 Uiso 0.543(11) 1 calc R U P A 2
H91B H 0.4634 0.4105 0.8973 0.084 Uiso 0.543(11) 1 calc R U P A 2
C911 C 0.373(3) 0.4582(13) 0.8680(12) 0.095(11) Uani 0.543(11) 1 d . U P A 2
H91C H 0.3975 0.4549 0.8375 0.114 Uiso 0.543(11) 1 calc R U P A 2
H91D H 0.3131 0.4529 0.8612 0.114 Uiso 0.543(11) 1 calc R U P A 2
C912 C 0.379(3) 0.5109(15) 0.8769(16) 0.147(16) Uani 0.543(11) 1 d . U P A 2
H91E H 0.3512 0.5281 0.8502 0.220 Uiso 0.543(11) 1 calc R U P A 2
H91F H 0.3511 0.5186 0.9052 0.220 Uiso 0.543(11) 1 calc R U P A 2
H91G H 0.4371 0.5206 0.8811 0.220 Uiso 0.543(11) 1 calc R U P A 2
C913 C 0.3894(14) 0.3095(10) 0.9034(8) 0.052(6) Uani 0.543(11) 1 d . U P A 2
H91H H 0.3577 0.3132 0.9314 0.063 Uiso 0.543(11) 1 calc R U P A 2
H91I H 0.3738 0.2784 0.8886 0.063 Uiso 0.543(11) 1 calc R U P A 2
C914 C 0.4833(16) 0.3096(10) 0.9186(9) 0.061(6) Uani 0.543(11) 1 d . U P A 2
H91J H 0.5140 0.3029 0.8908 0.074 Uiso 0.543(11) 1 calc R U P A 2
H91K H 0.4992 0.3421 0.9299 0.074 Uiso 0.543(11) 1 calc R U P A 2
C915 C 0.508(2) 0.2765(11) 0.9537(13) 0.073(8) Uani 0.543(11) 1 d . U P A 2
H91L H 0.5683 0.2790 0.9612 0.109 Uiso 0.543(11) 1 calc R U P A 2
H91M H 0.4796 0.2833 0.9818 0.109 Uiso 0.543(11) 1 calc R U P A 2
H91N H 0.4943 0.2440 0.9427 0.109 Uiso 0.543(11) 1 calc R U P A 2
C916 C 0.2475(14) 0.3632(9) 0.8613(9) 0.054(6) Uani 0.543(11) 1 d . . P A 2
H91O H 0.2316 0.3663 0.8938 0.065 Uiso 0.543(11) 1 calc R U P A 2
H91P H 0.2273 0.3919 0.8436 0.065 Uiso 0.543(11) 1 calc R U P A 2
C917 C 0.2083(19) 0.3182(11) 0.8388(12) 0.074(9) Uani 0.543(11) 1 d . U P A 2
H91Q H 0.2286 0.2890 0.8558 0.089 Uiso 0.543(11) 1 calc R U P A 2
H91R H 0.2209 0.3155 0.8057 0.089 Uiso 0.543(11) 1 calc R U P A 2
C918 C 0.115(3) 0.3250(18) 0.8426(13) 0.084(9) Uani 0.543(11) 1 d . U P A 2
H91S H 0.0852 0.2973 0.8287 0.126 Uiso 0.543(11) 1 calc R U P A 2
H91T H 0.1044 0.3279 0.8756 0.126 Uiso 0.543(11) 1 calc R U P A 2
H91U H 0.0968 0.3542 0.8258 0.126 Uiso 0.543(11) 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 Au2 2.6701(5) . ?
Au1 Au3 2.7494(5) . ?
Au1 Au4 2.8543(5) . ?
Au1 Au5 2.7274(6) . ?
Au1 Au6 2.8059(5) . ?
Au1 Au7 2.6857(5) . ?
Au1 Au8 2.6970(5) . ?
Au1 Au9 2.7544(5) . ?
Au1 Au10 2.8106(5) . ?
Au1 Ga1 2.4798(11) . ?
Au2 Au3 3.0951(6) . ?
Au2 Au4 2.8834(6) . ?
Au2 Au5 2.8629(6) . ?
Au2 P8 2.268(3) . ?
Au3 Au4 2.8156(5) . ?
Au3 Au8 3.1655(6) . ?
Au3 Ga1 2.7859(12) . ?
Au3 Ga2 2.6489(12) . ?
Au3 P7 2.338(3) . ?
Au4 Au8 2.9475(6) . ?
Au4 Au9 2.8321(5) . ?
Au4 Au11 2.6290(6) . ?
Au4 Ga2 2.4750(12) . ?
Au4 Ga3 2.5305(11) . ?
Au5 Au6 3.0165(6) . ?
Au5 Au9 2.9836(6) . ?
Au5 Au10 2.9341(6) . ?
Au5 P4 2.285(3) . ?
Au6 Au10 2.7773(5) . ?
Au6 Ga1 2.7474(12) . ?
Au6 Ga5 2.6682(12) . ?
Au6 P2 2.337(3) . ?
Au7 Au8 2.8184(6) . ?
Au7 Au10 2.8891(6) . ?
Au7 P5 2.283(3) . ?
Au8 Au9 3.0006(6) . ?
Au8 P6 2.290(3) . ?
Au9 Au10 2.8937(5) . ?
Au9 Au12 2.6196(5) . ?
Au9 Ga3 2.5085(11) . ?
Au9 Ga4 2.5070(11) . ?
Au10 Au13 2.6207(5) . ?
Au10 Ga4 2.5043(11) . ?
Au10 Ga5 2.4581(11) . ?
Au11 Ga2 2.6950(13) . ?
Au11 Ga3 2.8564(11) . ?
Au11 P3 2.301(3) . ?
Au12 Ga3 2.7469(11) . ?
Au12 Ga4 2.8693(12) . ?
Au12 P1 2.309(3) . ?
Au13 Ga4 2.7864(12) . ?
Au13 Ga5 2.8461(12) . ?
Au13 P9 2.295(3) . ?
Ga1 Cl11 2.259(3) . ?
Ga1 Cl12 2.265(3) . ?
Ga2 Cl21 2.226(3) . ?
Ga2 Cl22 2.237(3) . ?
Ga3 Cl31 2.239(3) . ?
Ga3 Cl32 2.270(3) . ?
Ga4 Cl41 2.239(3) . ?
Ga4 Cl42 2.255(3) . ?
Ga5 Cl51 2.224(3) . ?
Ga5 Cl52 2.236(3) . ?
P1 C101 1.849(14) . ?
P1 C104 1.798(11) . ?
P1 C107 1.786(14) . ?
P2 C201 1.861(14) . ?
P2 C204 1.846(11) . ?
P2 C207 1.803(14) . ?
P3 C301 1.818(14) . ?
P3 C304 1.818(15) . ?
P3 C307 1.70(4) . ?
P3 C310 2.00(3) . ?
P4 C401 1.776(13) . ?
P4 C404 1.70(2) . ?
P4 C407 1.96(3) . ?
P4 C410 1.98(4) . ?
P4 C413 1.70(2) . ?
P5 C501 1.813(12) . ?
P5 C504 1.817(12) . ?
P5 C507 1.813(12) . ?
P6 C601 1.801(11) . ?
P6 C604 1.898(13) . ?
P6 C607 1.766(14) . ?
P7 C701 1.821(11) . ?
P7 C704 1.810(11) . ?
P7 C707 1.824(13) . ?
P8 C801 1.830(13) . ?
P8 C804 1.841(12) . ?
P8 C807 1.819(12) . ?
P9 C901 1.78(4) . ?
P9 C904 1.74(3) . ?
P9 C907 1.74(4) . ?
P9 C910 1.83(3) . ?
P9 C913 1.86(3) . ?
P9 C916 1.85(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.459(18) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C102 C103 1.498(19) . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C104 H10H 0.9900 . ?
C104 H10I 0.9900 . ?
C104 C105 1.538(14) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C105 C106 1.522(16) . ?
C106 H10L 0.9800 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C107 H10O 0.9900 . ?
C107 H10P 0.9900 . ?
C107 C108 1.47(2) . ?
C108 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?
C108 C109 1.53(2) . ?
C109 H10S 0.9800 . ?
C109 H10T 0.9800 . ?
C109 H10U 0.9800 . ?
C201 H20K 0.9900 . ?
C201 H20L 0.9900 . ?
C201 C202 1.47(2) . ?
C202 H20M 0.9900 . ?
C202 H20N 0.9900 . ?
C202 C203 1.54(2) . ?
C203 H20A 0.9800 . ?
C203 H20B 0.9800 . ?
C203 H20C 0.9800 . ?
C204 H20O 0.9900 . ?
C204 H20P 0.9900 . ?
C204 C205 1.491(18) . ?
C205 H20Q 0.9900 . ?
C205 H20R 0.9900 . ?
C205 C206 1.57(2) . ?
C206 H20S 0.9800 . ?
C206 H20T 0.9800 . ?
C206 H20U 0.9800 . ?
C207 H20D 0.9900 . ?
C207 H20E 0.9900 . ?
C207 C208 1.451(18) . ?
C208 H20F 0.9900 . ?
C208 H20G 0.9900 . ?
C208 C209 1.619(19) . ?
C209 H20H 0.9800 . ?
C209 H20I 0.9800 . ?
C209 H20J 0.9800 . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C301 C302 1.521(17) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C302 C303 1.525(17) . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
C303 H30G 0.9800 . ?
C304 H30H 0.9900 . ?
C304 H30I 0.9900 . ?
C304 C305 1.513(19) . ?
C305 H30J 0.9900 . ?
C305 H30K 0.9900 . ?
C305 C306 1.51(2) . ?
C306 H30L 0.9800 . ?
C306 H30M 0.9800 . ?
C306 H30N 0.9800 . ?
C307 H30O 0.9900 . ?
C307 H30P 0.9900 . ?
C307 C308 1.67(5) . ?
C308 H30Q 0.9900 . ?
C308 H30R 0.9900 . ?
C308 C309 1.52(4) . ?
C309 H30S 0.9800 . ?
C309 H30T 0.9800 . ?
C309 H30U 0.9800 . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C310 C311 1.28(4) . ?
C311 H31C 0.9900 . ?
C311 H31D 0.9900 . ?
C311 C312 1.67(5) . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C401 C402 1.5317 . ?
C402 H40C 0.9900 . ?
C402 H40D 0.9900 . ?
C402 C403 1.5283 . ?
C403 H40E 0.9800 . ?
C403 H40F 0.9800 . ?
C403 H40G 0.9800 . ?
C404 H40H 0.9900 . ?
C404 H40I 0.9900 . ?
C404 C405 1.46(6) . ?
C405 H40J 0.9900 . ?
C405 H40K 0.9900 . ?
C405 C406 1.52(5) . ?
C406 H40L 0.9800 . ?
C406 H40M 0.9800 . ?
C406 H40N 0.9800 . ?
C407 H40O 0.9900 . ?
C407 H40P 0.9900 . ?
C407 C408 1.69(5) . ?
C408 H40Q 0.9900 . ?
C408 H40R 0.9900 . ?
C408 C409 1.48(5) . ?
C409 H40S 0.9800 . ?
C409 H40T 0.9800 . ?
C409 H40U 0.9800 . ?
C410 H41A 0.9900 . ?
C410 H41B 0.9900 . ?
C410 C411 1.5305 . ?
C411 H41C 0.9900 . ?
C411 H41D 0.9900 . ?
C411 C412 1.5299 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C412 H41G 0.9800 . ?
C413 H41H 0.9900 . ?
C413 H41I 0.9900 . ?
C413 C414 1.41(4) . ?
C414 H41J 0.9900 . ?
C414 H41K 0.9900 . ?
C414 C415 1.49(5) . ?
C415 H41L 0.9800 . ?
C415 H41M 0.9800 . ?
C415 H41N 0.9800 . ?
C501 H50A 0.9900 . ?
C501 H50B 0.9900 . ?
C501 C502 1.484(16) . ?
C502 H50C 0.9900 . ?
C502 H50D 0.9900 . ?
C502 C503 1.540(18) . ?
C503 H50E 0.9800 . ?
C503 H50F 0.9800 . ?
C503 H50G 0.9800 . ?
C504 H50H 0.9900 . ?
C504 H50I 0.9900 . ?
C504 C505 1.495(17) . ?
C505 H50J 0.9900 . ?
C505 H50K 0.9900 . ?
C505 C506 1.523(18) . ?
C506 H50L 0.9800 . ?
C506 H50M 0.9800 . ?
C506 H50N 0.9800 . ?
C507 H50O 0.9900 . ?
C507 H50P 0.9900 . ?
C507 C508 1.56(2) . ?
C508 H50Q 0.9900 . ?
C508 H50R 0.9900 . ?
C508 C509 1.491(15) . ?
C509 H50S 0.9800 . ?
C509 H50T 0.9800 . ?
C509 H50U 0.9800 . ?
C601 H60A 0.9900 . ?
C601 H60B 0.9900 . ?
C601 C602 1.493(15) . ?
C602 H60C 0.9900 . ?
C602 H60D 0.9900 . ?
C602 C603 1.487(17) . ?
C603 H60E 0.9800 . ?
C603 H60F 0.9800 . ?
C603 H60G 0.9800 . ?
C604 H60H 0.9900 . ?
C604 H60I 0.9900 . ?
C604 C605 1.469(14) . ?
C605 H60J 0.9900 . ?
C605 H60K 0.9900 . ?
C605 C606 1.502(17) . ?
C606 H60L 0.9800 . ?
C606 H60M 0.9800 . ?
C606 H60N 0.9800 . ?
C607 H60O 0.9900 . ?
C607 H60P 0.9900 . ?
C607 C608 1.482(14) . ?
C608 H60Q 0.9900 . ?
C608 H60R 0.9900 . ?
C608 C609 1.595(15) . ?
C609 H60S 0.9800 . ?
C609 H60T 0.9800 . ?
C609 H60U 0.9800 . ?
C701 H70A 0.9900 . ?
C701 H70B 0.9900 . ?
C701 C702 1.539(17) . ?
C702 H70C 0.9900 . ?
C702 H70D 0.9900 . ?
C702 C703 1.476(18) . ?
C703 H70E 0.9800 . ?
C703 H70F 0.9800 . ?
C703 H70G 0.9800 . ?
C704 H70H 0.9900 . ?
C704 H70I 0.9900 . ?
C704 C705 1.516(15) . ?
C705 H70J 0.9900 . ?
C705 H70K 0.9900 . ?
C705 C706 1.519(17) . ?
C706 H70L 0.9800 . ?
C706 H70M 0.9800 . ?
C706 H70N 0.9800 . ?
C707 H70O 0.9900 . ?
C707 H70P 0.9900 . ?
C707 C708 1.512(17) . ?
C708 H70Q 0.9900 . ?
C708 H70R 0.9900 . ?
C708 C709 1.535(18) . ?
C709 H70S 0.9800 . ?
C709 H70T 0.9800 . ?
C709 H70U 0.9800 . ?
C801 H80A 0.9900 . ?
C801 H80B 0.9900 . ?
C801 C802 1.470(17) . ?
C802 H80C 0.9900 . ?
C802 H80D 0.9900 . ?
C802 C803 1.465(19) . ?
C803 H80E 0.9800 . ?
C803 H80F 0.9800 . ?
C803 H80G 0.9800 . ?
C804 H80H 0.9900 . ?
C804 H80I 0.9900 . ?
C804 C805 1.470(16) . ?
C805 H80J 0.9900 . ?
C805 H80K 0.9900 . ?
C805 C806 1.508(18) . ?
C806 H80L 0.9800 . ?
C806 H80M 0.9800 . ?
C806 H80N 0.9800 . ?
C807 H80O 0.9900 . ?
C807 H80P 0.9900 . ?
C807 C808 1.501(17) . ?
C808 H80Q 0.9900 . ?
C808 H80R 0.9900 . ?
C808 C809 1.498(18) . ?
C809 H80S 0.9800 . ?
C809 H80T 0.9800 . ?
C809 H80U 0.9800 . ?
C901 H90A 0.9900 . ?
C901 H90B 0.9900 . ?
C901 C902 1.53(6) . ?
C902 H90C 0.9900 . ?
C902 H90D 0.9900 . ?
C902 C903 1.45(5) . ?
C903 H90E 0.9800 . ?
C903 H90F 0.9800 . ?
C903 H90G 0.9800 . ?
C904 H90H 0.9900 . ?
C904 H90I 0.9900 . ?
C904 C905 1.43(5) . ?
C905 H90J 0.9900 . ?
C905 H90K 0.9900 . ?
C905 C906 1.54(5) . ?
C906 H90L 0.9800 . ?
C906 H90M 0.9800 . ?
C906 H90N 0.9800 . ?
C907 H90O 0.9900 . ?
C907 H90P 0.9900 . ?
C907 C908 1.48(6) . ?
C908 H90Q 0.9900 . ?
C908 H90R 0.9900 . ?
C908 C909 1.49(7) . ?
C909 H90S 0.9800 . ?
C909 H90T 0.9800 . ?
C909 H90U 0.9800 . ?
C910 H91A 0.9900 . ?
C910 H91B 0.9900 . ?
C910 C911 1.55(5) . ?
C911 H91C 0.9900 . ?
C911 H91D 0.9900 . ?
C911 C912 1.49(5) . ?
C912 H91E 0.9800 . ?
C912 H91F 0.9800 . ?
C912 H91G 0.9800 . ?
C913 H91H 0.9900 . ?
C913 H91I 0.9900 . ?
C913 C914 1.54(4) . ?
C914 H91J 0.9900 . ?
C914 H91K 0.9900 . ?
C914 C915 1.40(4) . ?
C915 H91L 0.9800 . ?
C915 H91M 0.9800 . ?
C915 H91N 0.9800 . ?
C916 H91O 0.9900 . ?
C916 H91P 0.9900 . ?
C916 C917 1.53(4) . ?
C917 H91Q 0.9900 . ?
C917 H91R 0.9900 . ?
C917 C918 1.53(6) . ?
C918 H91S 0.9800 . ?
C918 H91T 0.9800 . ?
C918 H91U 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
Au2 Au1 Au3 69.638(15) . . ?
Au2 Au1 Au4 62.821(14) . . ?
Au2 Au1 Au5 64.055(15) . . ?
Au2 Au1 Au6 95.223(17) . . ?
Au2 Au1 Au7 161.054(19) . . ?
Au2 Au1 Au8 124.428(18) . . ?
Au2 Au1 Au9 99.575(17) . . ?
Au2 Au1 Au10 127.812(18) . . ?
Au3 Au1 Au4 60.290(13) . . ?
Au3 Au1 Au6 126.123(17) . . ?
Au3 Au1 Au9 117.556(17) . . ?
Au3 Au1 Au10 162.511(19) . . ?
Au5 Au1 Au3 133.220(19) . . ?
Au5 Au1 Au4 91.929(16) . . ?
Au5 Au1 Au6 66.051(15) . . ?
Au5 Au1 Au9 65.947(15) . . ?
Au5 Au1 Au10 63.965(14) . . ?
Au6 Au1 Au4 154.847(19) . . ?
Au6 Au1 Au10 59.272(13) . . ?
Au7 Au1 Au3 100.310(17) . . ?
Au7 Au1 Au4 127.185(18) . . ?
Au7 Au1 Au5 125.945(18) . . ?
Au7 Au1 Au6 77.505(16) . . ?
Au7 Au1 Au8 63.149(15) . . ?
Au7 Au1 Au9 99.334(17) . . ?
Au7 Au1 Au10 63.375(14) . . ?
Au8 Au1 Au3 71.065(15) . . ?
Au8 Au1 Au4 64.067(14) . . ?
Au8 Au1 Au5 132.725(19) . . ?
Au8 Au1 Au6 139.987(19) . . ?
Au8 Au1 Au9 66.783(15) . . ?
Au8 Au1 Au10 94.657(16) . . ?
Au9 Au1 Au4 60.625(13) . . ?
Au9 Au1 Au6 115.843(17) . . ?
Au9 Au1 Au10 62.652(13) . . ?
Au10 Au1 Au4 123.270(16) . . ?
Ga1 Au1 Au2 79.33(3) . . ?
Ga1 Au1 Au3 64.14(3) . . ?
Ga1 Au1 Au4 120.32(3) . . ?
Ga1 Au1 Au5 111.67(3) . . ?
Ga1 Au1 Au6 62.27(3) . . ?
Ga1 Au1 Au7 81.82(3) . . ?
Ga1 Au1 Au8 115.60(3) . . ?
Ga1 Au1 Au9 177.60(3) . . ?
Ga1 Au1 Au10 116.32(3) . . ?
Au1 Au2 Au3 56.386(13) . . ?
Au1 Au2 Au4 61.715(14) . . ?
Au1 Au2 Au5 58.945(14) . . ?
Au4 Au2 Au3 56.056(13) . . ?
Au5 Au2 Au3 115.009(17) . . ?
Au5 Au2 Au4 88.611(16) . . ?
P8 Au2 Au1 173.66(8) . . ?
P8 Au2 Au3 126.18(8) . . ?
P8 Au2 Au4 124.62(8) . . ?
P8 Au2 Au5 118.81(8) . . ?
Au1 Au3 Au2 53.976(13) . . ?
Au1 Au3 Au4 61.703(13) . . ?
Au1 Au3 Au8 53.696(12) . . ?
Au1 Au3 Ga1 53.23(2) . . ?
Au2 Au3 Au8 98.646(15) . . ?
Au4 Au3 Au2 58.167(14) . . ?
Au4 Au3 Au8 58.703(13) . . ?
Ga1 Au3 Au2 67.81(3) . . ?
Ga1 Au3 Au4 111.52(3) . . ?
Ga1 Au3 Au8 94.62(3) . . ?
Ga2 Au3 Au1 114.42(3) . . ?
Ga2 Au3 Au2 81.95(3) . . ?
Ga2 Au3 Au4 53.76(3) . . ?
Ga2 Au3 Au8 97.65(3) . . ?
Ga2 Au3 Ga1 148.74(4) . . ?
P7 Au3 Au1 148.38(8) . . ?
P7 Au3 Au2 138.94(8) . . ?
P7 Au3 Au4 147.88(8) . . ?
P7 Au3 Au8 121.97(8) . . ?
P7 Au3 Ga1 100.55(8) . . ?
P7 Au3 Ga2 97.08(8) . . ?
Au1 Au4 Au2 55.464(13) . . ?
Au1 Au4 Au8 55.373(13) . . ?
Au2 Au4 Au8 109.035(16) . . ?
Au3 Au4 Au1 58.008(13) . . ?
Au3 Au4 Au2 65.777(15) . . ?
Au3 Au4 Au8 66.589(14) . . ?
Au3 Au4 Au9 112.893(17) . . ?
Au9 Au4 Au1 57.942(13) . . ?
Au9 Au4 Au2 92.905(16) . . ?
Au9 Au4 Au8 62.515(14) . . ?
Au11 Au4 Au1 176.28(2) . . ?
Au11 Au4 Au2 121.13(2) . . ?
Au11 Au4 Au3 122.879(19) . . ?
Au11 Au4 Au8 128.31(2) . . ?
Au11 Au4 Au9 122.387(18) . . ?
Ga2 Au4 Au1 116.60(3) . . ?
Ga2 Au4 Au2 89.44(3) . . ?
Ga2 Au4 Au3 59.68(3) . . ?
Ga2 Au4 Au8 107.79(3) . . ?
Ga2 Au4 Au9 170.25(4) . . ?
Ga2 Au4 Au11 63.66(3) . . ?
Ga2 Au4 Ga3 130.76(4) . . ?
Ga3 Au4 Au1 112.65(3) . . ?
Ga3 Au4 Au2 119.29(3) . . ?
Ga3 Au4 Au3 165.96(3) . . ?
Ga3 Au4 Au8 99.63(3) . . ?
Ga3 Au4 Au9 55.44(3) . . ?
Ga3 Au4 Au11 67.20(3) . . ?
Au1 Au5 Au2 57.000(14) . . ?
Au1 Au5 Au6 58.226(13) . . ?
Au1 Au5 Au9 57.462(13) . . ?
Au1 Au5 Au10 59.395(13) . . ?
Au2 Au5 Au6 86.919(16) . . ?
Au2 Au5 Au9 90.219(16) . . ?
Au2 Au5 Au10 116.231(18) . . ?
Au9 Au5 Au6 103.486(16) . . ?
Au10 Au5 Au6 55.624(13) . . ?
Au10 Au5 Au9 58.542(13) . . ?
P4 Au5 Au1 172.27(11) . . ?
P4 Au5 Au2 125.97(10) . . ?
P4 Au5 Au6 127.15(10) . . ?
P4 Au5 Au9 114.81(11) . . ?
P4 Au5 Au10 117.68(10) . . ?
Au1 Au6 Au5 55.724(13) . . ?
Au10 Au6 Au1 60.447(13) . . ?
Au10 Au6 Au5 60.685(14) . . ?
Ga1 Au6 Au1 53.03(2) . . ?
Ga1 Au6 Au5 96.71(3) . . ?
Ga1 Au6 Au10 108.99(3) . . ?
Ga5 Au6 Au1 114.07(3) . . ?
Ga5 Au6 Au5 90.60(3) . . ?
Ga5 Au6 Au10 53.62(3) . . ?
Ga5 Au6 Ga1 153.75(4) . . ?
P2 Au6 Au1 145.13(8) . . ?
P2 Au6 Au5 127.77(9) . . ?
P2 Au6 Au10 154.40(8) . . ?
P2 Au6 Ga1 94.57(8) . . ?
P2 Au6 Ga5 100.79(8) . . ?
Au1 Au7 Au8 58.621(14) . . ?
Au1 Au7 Au10 60.420(13) . . ?
Au8 Au7 Au10 90.400(16) . . ?
P5 Au7 Au1 167.02(8) . . ?
P5 Au7 Au8 133.49(8) . . ?
P5 Au7 Au10 118.43(8) . . ?
Au1 Au8 Au3 55.239(13) . . ?
Au1 Au8 Au4 60.560(14) . . ?
Au1 Au8 Au7 58.230(14) . . ?
Au1 Au8 Au9 57.524(13) . . ?
Au4 Au8 Au3 54.709(13) . . ?
Au4 Au8 Au9 56.859(13) . . ?
Au7 Au8 Au3 88.237(15) . . ?
Au7 Au8 Au4 118.764(18) . . ?
Au7 Au8 Au9 90.855(16) . . ?
Au9 Au8 Au3 99.478(15) . . ?
P6 Au8 Au1 169.48(8) . . ?
P6 Au8 Au3 129.53(9) . . ?
P6 Au8 Au4 113.08(8) . . ?
P6 Au8 Au7 127.65(9) . . ?
P6 Au8 Au9 112.18(8) . . ?
Au1 Au9 Au4 61.432(13) . . ?
Au1 Au9 Au5 56.591(13) . . ?
Au1 Au9 Au8 55.693(13) . . ?
Au1 Au9 Au10 59.624(13) . . ?
Au4 Au9 Au5 87.243(15) . . ?
Au4 Au9 Au8 60.626(14) . . ?
Au4 Au9 Au10 121.048(16) . . ?
Au5 Au9 Au8 112.282(16) . . ?
Au10 Au9 Au5 59.875(14) . . ?
Au10 Au9 Au8 86.787(15) . . ?
Au12 Au9 Au1 176.63(2) . . ?
Au12 Au9 Au4 120.533(18) . . ?
Au12 Au9 Au5 120.220(19) . . ?
Au12 Au9 Au8 127.494(19) . . ?
Au12 Au9 Au10 118.292(18) . . ?
Ga3 Au9 Au1 116.82(3) . . ?
Ga3 Au9 Au4 56.17(3) . . ?
Ga3 Au9 Au5 110.06(3) . . ?
Ga3 Au9 Au8 98.75(3) . . ?
Ga3 Au9 Au10 169.89(3) . . ?
Ga3 Au9 Au12 64.73(3) . . ?
Ga4 Au9 Au1 110.98(3) . . ?
Ga4 Au9 Au4 161.55(3) . . ?
Ga4 Au9 Au5 102.55(3) . . ?
Ga4 Au9 Au8 101.00(3) . . ?
Ga4 Au9 Au10 54.69(3) . . ?
Ga4 Au9 Au12 68.03(3) . . ?
Ga4 Au9 Ga3 131.46(4) . . ?
Au1 Au10 Au5 56.640(13) . . ?
Au1 Au10 Au7 56.205(13) . . ?
Au1 Au10 Au9 57.724(12) . . ?
Au6 Au10 Au1 60.281(13) . . ?
Au6 Au10 Au5 63.691(15) . . ?
Au6 Au10 Au7 74.699(15) . . ?
Au6 Au10 Au9 112.347(17) . . ?
Au7 Au10 Au5 111.799(16) . . ?
Au7 Au10 Au9 91.643(15) . . ?
Au9 Au10 Au5 61.584(14) . . ?
Au13 Au10 Au1 162.78(2) . . ?
Au13 Au10 Au5 139.80(2) . . ?
Au13 Au10 Au6 126.721(19) . . ?
Au13 Au10 Au7 108.300(18) . . ?
Au13 Au10 Au9 120.558(18) . . ?
Ga4 Au10 Au1 109.27(3) . . ?
Ga4 Au10 Au5 104.01(3) . . ?
Ga4 Au10 Au6 166.62(3) . . ?
Ga4 Au10 Au7 107.23(3) . . ?
Ga4 Au10 Au9 54.77(3) . . ?
Ga4 Au10 Au13 65.82(3) . . ?
Ga5 Au10 Au1 121.20(3) . . ?
Ga5 Au10 Au5 96.91(3) . . ?
Ga5 Au10 Au6 60.92(3) . . ?
Ga5 Au10 Au7 107.24(3) . . ?
Ga5 Au10 Au9 156.00(3) . . ?
Ga5 Au10 Au13 68.08(3) . . ?
Ga5 Au10 Ga4 128.81(4) . . ?
Au4 Au11 Ga2 55.39(3) . . ?
Au4 Au11 Ga3 54.76(2) . . ?
Ga2 Au11 Ga3 110.07(3) . . ?
P3 Au11 Au4 175.02(10) . . ?
P3 Au11 Ga2 119.86(10) . . ?
P3 Au11 Ga3 130.06(10) . . ?
Au9 Au12 Ga3 55.67(2) . . ?
Au9 Au12 Ga4 54.12(2) . . ?
Ga3 Au12 Ga4 108.98(3) . . ?
P1 Au12 Au9 177.15(8) . . ?
P1 Au12 Ga3 122.03(8) . . ?
P1 Au12 Ga4 128.44(8) . . ?
Au10 Au13 Ga4 55.08(2) . . ?
Au10 Au13 Ga5 53.25(2) . . ?
Ga4 Au13 Ga5 105.23(3) . . ?
P9 Au13 Au10 179.24(9) . . ?
P9 Au13 Ga4 125.45(9) . . ?
P9 Au13 Ga5 126.48(9) . . ?
Au1 Ga1 Au3 62.63(3) . . ?
Au1 Ga1 Au6 64.69(3) . . ?
Au6 Ga1 Au3 127.03(4) . . ?
Cl11 Ga1 Au1 134.04(9) . . ?
Cl11 Ga1 Au3 95.90(8) . . ?
Cl11 Ga1 Au6 117.04(9) . . ?
Cl11 Ga1 Cl12 99.22(11) . . ?
Cl12 Ga1 Au1 126.45(9) . . ?
Cl12 Ga1 Au3 115.12(9) . . ?
Cl12 Ga1 Au6 99.95(8) . . ?
Au3 Ga2 Au11 127.02(4) . . ?
Au4 Ga2 Au3 66.56(3) . . ?
Au4 Ga2 Au11 60.95(3) . . ?
Cl21 Ga2 Au3 115.66(10) . . ?
Cl21 Ga2 Au4 126.49(11) . . ?
Cl21 Ga2 Au11 101.09(10) . . ?
Cl21 Ga2 Cl22 98.53(14) . . ?
Cl22 Ga2 Au3 109.70(11) . . ?
Cl22 Ga2 Au4 132.65(12) . . ?
Cl22 Ga2 Au11 100.42(10) . . ?
Au4 Ga3 Au11 58.04(3) . . ?
Au4 Ga3 Au12 127.55(4) . . ?
Au9 Ga3 Au4 68.39(3) . . ?
Au9 Ga3 Au11 126.17(4) . . ?
Au9 Ga3 Au12 59.59(3) . . ?
Au12 Ga3 Au11 167.78(5) . . ?
Cl31 Ga3 Au4 120.50(9) . . ?
Cl31 Ga3 Au9 117.33(9) . . ?
Cl31 Ga3 Au11 95.09(9) . . ?
Cl31 Ga3 Au12 90.34(9) . . ?
Cl31 Ga3 Cl32 101.10(12) . . ?
Cl32 Ga3 Au4 120.65(9) . . ?
Cl32 Ga3 Au9 128.25(9) . . ?
Cl32 Ga3 Au11 79.51(8) . . ?
Cl32 Ga3 Au12 88.72(8) . . ?
Au9 Ga4 Au12 57.85(3) . . ?
Au9 Ga4 Au13 129.59(4) . . ?
Au10 Ga4 Au9 70.54(3) . . ?
Au10 Ga4 Au12 123.43(4) . . ?
Au10 Ga4 Au13 59.10(3) . . ?
Au13 Ga4 Au12 157.20(5) . . ?
Cl41 Ga4 Au9 110.09(9) . . ?
Cl41 Ga4 Au10 120.10(9) . . ?
Cl41 Ga4 Au12 99.14(9) . . ?
Cl41 Ga4 Au13 97.23(9) . . ?
Cl41 Ga4 Cl42 101.56(13) . . ?
Cl42 Ga4 Au9 128.01(9) . . ?
Cl42 Ga4 Au10 125.41(9) . . ?
Cl42 Ga4 Au12 77.58(8) . . ?
Cl42 Ga4 Au13 83.68(8) . . ?
Au6 Ga5 Au13 122.08(4) . . ?
Au10 Ga5 Au6 65.46(3) . . ?
Au10 Ga5 Au13 58.68(3) . . ?
Cl51 Ga5 Au6 115.56(10) . . ?
Cl51 Ga5 Au10 119.56(10) . . ?
Cl51 Ga5 Au13 104.36(11) . . ?
Cl51 Ga5 Cl52 98.83(13) . . ?
Cl52 Ga5 Au6 115.92(10) . . ?
Cl52 Ga5 Au10 137.31(10) . . ?
Cl52 Ga5 Au13 96.16(9) . . ?
C101 P1 Au12 111.5(5) . . ?
C104 P1 Au12 114.5(4) . . ?
C104 P1 C101 104.1(6) . . ?
C107 P1 Au12 114.2(4) . . ?
C107 P1 C101 105.4(7) . . ?
C107 P1 C104 106.2(6) . . ?
C201 P2 Au6 114.4(4) . . ?
C204 P2 Au6 111.2(4) . . ?
C204 P2 C201 104.3(6) . . ?
C207 P2 Au6 120.1(5) . . ?
C207 P2 C201 99.8(7) . . ?
C207 P2 C204 105.4(6) . . ?
C301 P3 Au11 112.9(5) . . ?
C301 P3 C310 92.4(9) . . ?
C304 P3 Au11 113.8(5) . . ?
C304 P3 C301 107.1(7) . . ?
C304 P3 C310 117.3(10) . . ?
C307 P3 Au11 113.8(13) . . ?
C307 P3 C301 113.6(15) . . ?
C307 P3 C304 94.2(14) . . ?
C310 P3 Au11 111.4(9) . . ?
C401 P4 Au5 110.7(5) . . ?
C401 P4 C407 93.3(11) . . ?
C401 P4 C410 104.9(19) . . ?
C404 P4 Au5 124.1(9) . . ?
C404 P4 C401 112.8(10) . . ?
C404 P4 C407 95.9(12) . . ?
C407 P4 Au5 114.8(10) . . ?
C410 P4 Au5 99.5(11) . . ?
C413 P4 Au5 121.6(9) . . ?
C413 P4 C401 115.1(11) . . ?
C413 P4 C410 101.6(18) . . ?
C501 P5 Au7 116.8(4) . . ?
C501 P5 C504 104.9(6) . . ?
C504 P5 Au7 112.4(4) . . ?
C507 P5 Au7 112.8(5) . . ?
C507 P5 C501 104.7(6) . . ?
C507 P5 C504 104.0(7) . . ?
C601 P6 Au8 111.9(4) . . ?
C601 P6 C604 101.6(6) . . ?
C604 P6 Au8 112.6(4) . . ?
C607 P6 Au8 121.3(5) . . ?
C607 P6 C601 106.8(6) . . ?
C607 P6 C604 100.4(7) . . ?
C701 P7 Au3 115.0(4) . . ?
C701 P7 C707 104.4(6) . . ?
C704 P7 Au3 117.4(4) . . ?
C704 P7 C701 103.8(6) . . ?
C704 P7 C707 103.7(6) . . ?
C707 P7 Au3 111.1(4) . . ?
C801 P8 Au2 109.4(4) . . ?
C801 P8 C804 107.5(6) . . ?
C804 P8 Au2 113.9(4) . . ?
C807 P8 Au2 115.1(4) . . ?
C807 P8 C801 104.9(6) . . ?
C807 P8 C804 105.5(6) . . ?
C901 P9 Au13 113.6(12) . . ?
C904 P9 Au13 119.9(11) . . ?
C904 P9 C901 105.3(17) . . ?
C904 P9 C907 103.4(18) . . ?
C907 P9 Au13 109.8(15) . . ?
C907 P9 C901 103.2(19) . . ?
C910 P9 Au13 118.5(9) . . ?
C910 P9 C913 102.1(11) . . ?
C910 P9 C916 105.4(12) . . ?
C913 P9 Au13 112.3(8) . . ?
C916 P9 Au13 113.4(8) . . ?
C916 P9 C913 103.6(11) . . ?
P1 C101 H10A 108.2 . . ?
P1 C101 H10B 108.2 . . ?
H10A C101 H10B 107.3 . . ?
C102 C101 P1 116.4(11) . . ?
C102 C101 H10A 108.2 . . ?
C102 C101 H10B 108.2 . . ?
C101 C102 H10C 108.6 . . ?
C101 C102 H10D 108.6 . . ?
C101 C102 C103 114.8(13) . . ?
H10C C102 H10D 107.5 . . ?
C103 C102 H10C 108.6 . . ?
C103 C102 H10D 108.6 . . ?
C102 C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
C102 C103 H10G 109.5 . . ?
H10E C103 H10F 109.5 . . ?
H10E C103 H10G 109.5 . . ?
H10F C103 H10G 109.5 . . ?
P1 C104 H10H 108.0 . . ?
P1 C104 H10I 108.0 . . ?
H10H C104 H10I 107.2 . . ?
C105 C104 P1 117.3(8) . . ?
C105 C104 H10H 108.0 . . ?
C105 C104 H10I 108.0 . . ?
C104 C105 H10J 109.1 . . ?
C104 C105 H10K 109.1 . . ?
H10J C105 H10K 107.8 . . ?
C106 C105 C104 112.6(10) . . ?
C106 C105 H10J 109.1 . . ?
C106 C105 H10K 109.1 . . ?
C105 C106 H10L 109.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10L C106 H10M 109.5 . . ?
H10L C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
P1 C107 H10O 109.0 . . ?
P1 C107 H10P 109.0 . . ?
H10O C107 H10P 107.8 . . ?
C108 C107 P1 112.9(11) . . ?
C108 C107 H10O 109.0 . . ?
C108 C107 H10P 109.0 . . ?
C107 C108 H10Q 108.6 . . ?
C107 C108 H10R 108.6 . . ?
C107 C108 C109 114.5(18) . . ?
H10Q C108 H10R 107.6 . . ?
C109 C108 H10Q 108.6 . . ?
C109 C108 H10R 108.6 . . ?
C108 C109 H10S 109.5 . . ?
C108 C109 H10T 109.5 . . ?
C108 C109 H10U 109.5 . . ?
H10S C109 H10T 109.5 . . ?
H10S C109 H10U 109.5 . . ?
H10T C109 H10U 109.5 . . ?
P2 C201 H20K 108.3 . . ?
P2 C201 H20L 108.3 . . ?
H20K C201 H20L 107.4 . . ?
C202 C201 P2 115.9(10) . . ?
C202 C201 H20K 108.3 . . ?
C202 C201 H20L 108.3 . . ?
C201 C202 H20M 109.0 . . ?
C201 C202 H20N 109.0 . . ?
C201 C202 C203 112.7(15) . . ?
H20M C202 H20N 107.8 . . ?
C203 C202 H20M 109.0 . . ?
C203 C202 H20N 109.0 . . ?
C202 C203 H20A 109.5 . . ?
C202 C203 H20B 109.5 . . ?
C202 C203 H20C 109.5 . . ?
H20A C203 H20B 109.5 . . ?
H20A C203 H20C 109.5 . . ?
H20B C203 H20C 109.5 . . ?
P2 C204 H20O 108.0 . . ?
P2 C204 H20P 108.0 . . ?
H20O C204 H20P 107.2 . . ?
C205 C204 P2 117.4(9) . . ?
C205 C204 H20O 108.0 . . ?
C205 C204 H20P 108.0 . . ?
C204 C205 H20Q 110.4 . . ?
C204 C205 H20R 110.4 . . ?
C204 C205 C206 106.8(14) . . ?
H20Q C205 H20R 108.6 . . ?
C206 C205 H20Q 110.4 . . ?
C206 C205 H20R 110.4 . . ?
C205 C206 H20S 109.5 . . ?
C205 C206 H20T 109.5 . . ?
C205 C206 H20U 109.5 . . ?
H20S C206 H20T 109.5 . . ?
H20S C206 H20U 109.5 . . ?
H20T C206 H20U 109.5 . . ?
P2 C207 H20D 109.2 . . ?
P2 C207 H20E 109.2 . . ?
H20D C207 H20E 107.9 . . ?
C208 C207 P2 111.9(10) . . ?
C208 C207 H20D 109.2 . . ?
C208 C207 H20E 109.2 . . ?
C207 C208 H20F 109.4 . . ?
C207 C208 H20G 109.4 . . ?
C207 C208 C209 111.2(11) . . ?
H20F C208 H20G 108.0 . . ?
C209 C208 H20F 109.4 . . ?
C209 C208 H20G 109.4 . . ?
C208 C209 H20H 109.5 . . ?
C208 C209 H20I 109.5 . . ?
C208 C209 H20J 109.5 . . ?
H20H C209 H20I 109.5 . . ?
H20H C209 H20J 109.5 . . ?
H20I C209 H20J 109.5 . . ?
P3 C301 H30A 109.0 . . ?
P3 C301 H30B 109.0 . . ?
H30A C301 H30B 107.8 . . ?
C302 C301 P3 113.0(9) . . ?
C302 C301 H30A 109.0 . . ?
C302 C301 H30B 109.0 . . ?
C301 C302 H30C 109.2 . . ?
C301 C302 H30D 109.2 . . ?
C301 C302 C303 112.2(12) . . ?
H30C C302 H30D 107.9 . . ?
C303 C302 H30C 109.2 . . ?
C303 C302 H30D 109.2 . . ?
C302 C303 H30E 109.5 . . ?
C302 C303 H30F 109.5 . . ?
C302 C303 H30G 109.5 . . ?
H30E C303 H30F 109.5 . . ?
H30E C303 H30G 109.5 . . ?
H30F C303 H30G 109.5 . . ?
P3 C304 H30H 107.9 . . ?
P3 C304 H30I 107.9 . . ?
H30H C304 H30I 107.2 . . ?
C305 C304 P3 117.5(13) . . ?
C305 C304 H30H 107.9 . . ?
C305 C304 H30I 107.9 . . ?
C304 C305 H30J 109.3 . . ?
C304 C305 H30K 109.3 . . ?
H30J C305 H30K 108.0 . . ?
C306 C305 C304 111.6(17) . . ?
C306 C305 H30J 109.3 . . ?
C306 C305 H30K 109.3 . . ?
C305 C306 H30L 109.5 . . ?
C305 C306 H30M 109.5 . . ?
C305 C306 H30N 109.5 . . ?
H30L C306 H30M 109.5 . . ?
H30L C306 H30N 109.5 . . ?
H30M C306 H30N 109.5 . . ?
P3 C307 H30O 109.0 . . ?
P3 C307 H30P 109.0 . . ?
H30O C307 H30P 107.8 . . ?
C308 C307 P3 113(2) . . ?
C308 C307 H30O 109.0 . . ?
C308 C307 H30P 109.0 . . ?
C307 C308 H30Q 108.6 . . ?
C307 C308 H30R 108.6 . . ?
H30Q C308 H30R 107.6 . . ?
C309 C308 C307 115(3) . . ?
C309 C308 H30Q 108.6 . . ?
C309 C308 H30R 108.6 . . ?
C308 C309 H30S 109.5 . . ?
C308 C309 H30T 109.5 . . ?
C308 C309 H30U 109.5 . . ?
H30S C309 H30T 109.5 . . ?
H30S C309 H30U 109.5 . . ?
H30T C309 H30U 109.5 . . ?
P3 C310 H31A 111.2 . . ?
P3 C310 H31B 111.2 . . ?
H31A C310 H31B 109.1 . . ?
C311 C310 P3 103(3) . . ?
C311 C310 H31A 111.2 . . ?
C311 C310 H31B 111.2 . . ?
C310 C311 H31C 110.5 . . ?
C310 C311 H31D 110.5 . . ?
C310 C311 C312 106(3) . . ?
H31C C311 H31D 108.6 . . ?
C312 C311 H31C 110.5 . . ?
C312 C311 H31D 110.5 . . ?
C311 C312 H31E 109.5 . . ?
C311 C312 H31F 109.5 . . ?
C311 C312 H31G 109.5 . . ?
H31E C312 H31F 109.5 . . ?
H31E C312 H31G 109.5 . . ?
H31F C312 H31G 109.5 . . ?
P4 C401 H40A 106.5 . . ?
P4 C401 H40B 106.5 . . ?
H40A C401 H40B 106.5 . . ?
C402 C401 P4 123.5(9) . . ?
C402 C401 H40A 106.5 . . ?
C402 C401 H40B 106.5 . . ?
C401 C402 H40C 109.2 . . ?
C401 C402 H40D 109.2 . . ?
H40C C402 H40D 107.9 . . ?
C403 C402 C401 112.1 . . ?
C403 C402 H40C 109.2 . . ?
C403 C402 H40D 109.2 . . ?
C402 C403 H40E 109.5 . . ?
C402 C403 H40F 109.5 . . ?
C402 C403 H40G 109.5 . . ?
H40E C403 H40F 109.5 . . ?
H40E C403 H40G 109.5 . . ?
H40F C403 H40G 109.5 . . ?
P4 C404 H40H 109.7 . . ?
P4 C404 H40I 109.7 . . ?
H40H C404 H40I 108.2 . . ?
C405 C404 P4 110(2) . . ?
C405 C404 H40H 109.7 . . ?
C405 C404 H40I 109.7 . . ?
C404 C405 H40J 108.4 . . ?
C404 C405 H40K 108.4 . . ?
C404 C405 C406 115(5) . . ?
H40J C405 H40K 107.5 . . ?
C406 C405 H40J 108.4 . . ?
C406 C405 H40K 108.4 . . ?
C405 C406 H40L 109.5 . . ?
C405 C406 H40M 109.5 . . ?
C405 C406 H40N 109.5 . . ?
H40L C406 H40M 109.5 . . ?
H40L C406 H40N 109.5 . . ?
H40M C406 H40N 109.5 . . ?
P4 C407 H40O 109.8 . . ?
P4 C407 H40P 109.8 . . ?
H40O C407 H40P 108.2 . . ?
C408 C407 P4 109.6(19) . . ?
C408 C407 H40O 109.8 . . ?
C408 C407 H40P 109.8 . . ?
C407 C408 H40Q 108.4 . . ?
C407 C408 H40R 108.4 . . ?
H40Q C408 H40R 107.4 . . ?
C409 C408 C407 116(3) . . ?
C409 C408 H40Q 108.4 . . ?
C409 C408 H40R 108.4 . . ?
C408 C409 H40S 109.5 . . ?
C408 C409 H40T 109.5 . . ?
C408 C409 H40U 109.5 . . ?
H40S C409 H40T 109.5 . . ?
H40S C409 H40U 109.5 . . ?
H40T C409 H40U 109.5 . . ?
P4 C410 H41A 108.9 . . ?
P4 C410 H41B 108.9 . . ?
H41A C410 H41B 107.7 . . ?
C411 C410 P4 113(3) . . ?
C411 C410 H41A 108.9 . . ?
C411 C410 H41B 108.9 . . ?
C410 C411 H41C 109.2 . . ?
C410 C411 H41D 109.2 . . ?
H41C C411 H41D 107.9 . . ?
C412 C411 C410 112.2 . . ?
C412 C411 H41C 109.2 . . ?
C412 C411 H41D 109.2 . . ?
C411 C412 H41E 109.5 . . ?
C411 C412 H41F 109.5 . . ?
C411 C412 H41G 109.5 . . ?
H41E C412 H41F 109.5 . . ?
H41E C412 H41G 109.5 . . ?
H41F C412 H41G 109.5 . . ?
P4 C413 H41H 108.9 . . ?
P4 C413 H41I 108.9 . . ?
H41H C413 H41I 107.7 . . ?
C414 C413 P4 113(2) . . ?
C414 C413 H41H 108.9 . . ?
C414 C413 H41I 108.9 . . ?
C413 C414 H41J 107.4 . . ?
C413 C414 H41K 107.4 . . ?
C413 C414 C415 120(3) . . ?
H41J C414 H41K 106.9 . . ?
C415 C414 H41J 107.4 . . ?
C415 C414 H41K 107.4 . . ?
C414 C415 H41L 109.5 . . ?
C414 C415 H41M 109.5 . . ?
C414 C415 H41N 109.5 . . ?
H41L C415 H41M 109.5 . . ?
H41L C415 H41N 109.5 . . ?
H41M C415 H41N 109.5 . . ?
P5 C501 H50A 108.5 . . ?
P5 C501 H50B 108.5 . . ?
H50A C501 H50B 107.5 . . ?
C502 C501 P5 115.3(9) . . ?
C502 C501 H50A 108.5 . . ?
C502 C501 H50B 108.5 . . ?
C501 C502 H50C 108.8 . . ?
C501 C502 H50D 108.8 . . ?
C501 C502 C503 113.8(12) . . ?
H50C C502 H50D 107.7 . . ?
C503 C502 H50C 108.8 . . ?
C503 C502 H50D 108.8 . . ?
C502 C503 H50E 109.5 . . ?
C502 C503 H50F 109.5 . . ?
C502 C503 H50G 109.5 . . ?
H50E C503 H50F 109.5 . . ?
H50E C503 H50G 109.5 . . ?
H50F C503 H50G 109.5 . . ?
P5 C504 H50H 108.6 . . ?
P5 C504 H50I 108.6 . . ?
H50H C504 H50I 107.6 . . ?
C505 C504 P5 114.7(8) . . ?
C505 C504 H50H 108.6 . . ?
C505 C504 H50I 108.6 . . ?
C504 C505 H50J 109.4 . . ?
C504 C505 H50K 109.4 . . ?
C504 C505 C506 111.2(12) . . ?
H50J C505 H50K 108.0 . . ?
C506 C505 H50J 109.4 . . ?
C506 C505 H50K 109.4 . . ?
C505 C506 H50L 109.5 . . ?
C505 C506 H50M 109.5 . . ?
C505 C506 H50N 109.5 . . ?
H50L C506 H50M 109.5 . . ?
H50L C506 H50N 109.5 . . ?
H50M C506 H50N 109.5 . . ?
P5 C507 H50O 108.3 . . ?
P5 C507 H50P 108.3 . . ?
H50O C507 H50P 107.4 . . ?
C508 C507 P5 116.1(10) . . ?
C508 C507 H50O 108.3 . . ?
C508 C507 H50P 108.3 . . ?
C507 C508 H50Q 108.9 . . ?
C507 C508 H50R 108.9 . . ?
H50Q C508 H50R 107.7 . . ?
C509 C508 C507 113.6(15) . . ?
C509 C508 H50Q 108.9 . . ?
C509 C508 H50R 108.9 . . ?
C508 C509 H50S 109.5 . . ?
C508 C509 H50T 109.5 . . ?
C508 C509 H50U 109.5 . . ?
H50S C509 H50T 109.5 . . ?
H50S C509 H50U 109.5 . . ?
H50T C509 H50U 109.5 . . ?
P6 C601 H60A 107.1 . . ?
P6 C601 H60B 107.1 . . ?
H60A C601 H60B 106.8 . . ?
C602 C601 P6 120.8(8) . . ?
C602 C601 H60A 107.1 . . ?
C602 C601 H60B 107.1 . . ?
C601 C602 H60C 108.5 . . ?
C601 C602 H60D 108.5 . . ?
H60C C602 H60D 107.5 . . ?
C603 C602 C601 115.2(11) . . ?
C603 C602 H60C 108.5 . . ?
C603 C602 H60D 108.5 . . ?
C602 C603 H60E 109.5 . . ?
C602 C603 H60F 109.5 . . ?
C602 C603 H60G 109.5 . . ?
H60E C603 H60F 109.5 . . ?
H60E C603 H60G 109.5 . . ?
H60F C603 H60G 109.5 . . ?
P6 C604 H60H 109.1 . . ?
P6 C604 H60I 109.1 . . ?
H60H C604 H60I 107.8 . . ?
C605 C604 P6 112.5(10) . . ?
C605 C604 H60H 109.1 . . ?
C605 C604 H60I 109.1 . . ?
C604 C605 H60J 109.1 . . ?
C604 C605 H60K 109.1 . . ?
C604 C605 C606 112.4(12) . . ?
H60J C605 H60K 107.9 . . ?
C606 C605 H60J 109.1 . . ?
C606 C605 H60K 109.1 . . ?
C605 C606 H60L 109.5 . . ?
C605 C606 H60M 109.5 . . ?
C605 C606 H60N 109.5 . . ?
H60L C606 H60M 109.5 . . ?
H60L C606 H60N 109.5 . . ?
H60M C606 H60N 109.5 . . ?
P6 C607 H60O 108.8 . . ?
P6 C607 H60P 108.8 . . ?
H60O C607 H60P 107.7 . . ?
C608 C607 P6 113.9(11) . . ?
C608 C607 H60O 108.8 . . ?
C608 C607 H60P 108.8 . . ?
C607 C608 H60Q 109.8 . . ?
C607 C608 H60R 109.8 . . ?
C607 C608 C609 109.2(13) . . ?
H60Q C608 H60R 108.3 . . ?
C609 C608 H60Q 109.8 . . ?
C609 C608 H60R 109.8 . . ?
C608 C609 H60S 109.5 . . ?
C608 C609 H60T 109.5 . . ?
C608 C609 H60U 109.5 . . ?
H60S C609 H60T 109.5 . . ?
H60S C609 H60U 109.5 . . ?
H60T C609 H60U 109.5 . . ?
P7 C701 H70A 108.8 . . ?
P7 C701 H70B 108.8 . . ?
H70A C701 H70B 107.7 . . ?
C702 C701 P7 113.8(8) . . ?
C702 C701 H70A 108.8 . . ?
C702 C701 H70B 108.8 . . ?
C701 C702 H70C 109.2 . . ?
C701 C702 H70D 109.2 . . ?
H70C C702 H70D 107.9 . . ?
C703 C702 C701 112.1(12) . . ?
C703 C702 H70C 109.2 . . ?
C703 C702 H70D 109.2 . . ?
C702 C703 H70E 109.5 . . ?
C702 C703 H70F 109.5 . . ?
C702 C703 H70G 109.5 . . ?
H70E C703 H70F 109.5 . . ?
H70E C703 H70G 109.5 . . ?
H70F C703 H70G 109.5 . . ?
P7 C704 H70H 107.9 . . ?
P7 C704 H70I 107.9 . . ?
H70H C704 H70I 107.2 . . ?
C705 C704 P7 117.5(8) . . ?
C705 C704 H70H 107.9 . . ?
C705 C704 H70I 107.9 . . ?
C704 C705 H70J 109.1 . . ?
C704 C705 H70K 109.1 . . ?
C704 C705 C706 112.4(11) . . ?
H70J C705 H70K 107.9 . . ?
C706 C705 H70J 109.1 . . ?
C706 C705 H70K 109.1 . . ?
C705 C706 H70L 109.5 . . ?
C705 C706 H70M 109.5 . . ?
C705 C706 H70N 109.5 . . ?
H70L C706 H70M 109.5 . . ?
H70L C706 H70N 109.5 . . ?
H70M C706 H70N 109.5 . . ?
P7 C707 H70O 108.9 . . ?
P7 C707 H70P 108.9 . . ?
H70O C707 H70P 107.7 . . ?
C708 C707 P7 113.3(9) . . ?
C708 C707 H70O 108.9 . . ?
C708 C707 H70P 108.9 . . ?
C707 C708 H70Q 109.3 . . ?
C707 C708 H70R 109.3 . . ?
C707 C708 C709 111.8(11) . . ?
H70Q C708 H70R 107.9 . . ?
C709 C708 H70Q 109.3 . . ?
C709 C708 H70R 109.3 . . ?
C708 C709 H70S 109.5 . . ?
C708 C709 H70T 109.5 . . ?
C708 C709 H70U 109.5 . . ?
H70S C709 H70T 109.5 . . ?
H70S C709 H70U 109.5 . . ?
H70T C709 H70U 109.5 . . ?
P8 C801 H80A 107.0 . . ?
P8 C801 H80B 107.0 . . ?
H80A C801 H80B 106.7 . . ?
C802 C801 P8 121.5(10) . . ?
C802 C801 H80A 107.0 . . ?
C802 C801 H80B 107.0 . . ?
C801 C802 H80C 108.2 . . ?
C801 C802 H80D 108.2 . . ?
H80C C802 H80D 107.4 . . ?
C803 C802 C801 116.2(13) . . ?
C803 C802 H80C 108.2 . . ?
C803 C802 H80D 108.2 . . ?
C802 C803 H80E 109.5 . . ?
C802 C803 H80F 109.5 . . ?
C802 C803 H80G 109.5 . . ?
H80E C803 H80F 109.5 . . ?
H80E C803 H80G 109.5 . . ?
H80F C803 H80G 109.5 . . ?
P8 C804 H80H 107.0 . . ?
P8 C804 H80I 107.0 . . ?
H80H C804 H80I 106.7 . . ?
C805 C804 P8 121.4(10) . . ?
C805 C804 H80H 107.0 . . ?
C805 C804 H80I 107.0 . . ?
C804 C805 H80J 108.8 . . ?
C804 C805 H80K 108.8 . . ?
C804 C805 C806 114.0(13) . . ?
H80J C805 H80K 107.7 . . ?
C806 C805 H80J 108.8 . . ?
C806 C805 H80K 108.8 . . ?
C805 C806 H80L 109.5 . . ?
C805 C806 H80M 109.5 . . ?
C805 C806 H80N 109.5 . . ?
H80L C806 H80M 109.5 . . ?
H80L C806 H80N 109.5 . . ?
H80M C806 H80N 109.5 . . ?
P8 C807 H80O 108.9 . . ?
P8 C807 H80P 108.9 . . ?
H80O C807 H80P 107.7 . . ?
C808 C807 P8 113.4(9) . . ?
C808 C807 H80O 108.9 . . ?
C808 C807 H80P 108.9 . . ?
C807 C808 H80Q 108.4 . . ?
C807 C808 H80R 108.4 . . ?
H80Q C808 H80R 107.4 . . ?
C809 C808 C807 115.6(12) . . ?
C809 C808 H80Q 108.4 . . ?
C809 C808 H80R 108.4 . . ?
C808 C809 H80S 109.5 . . ?
C808 C809 H80T 109.5 . . ?
C808 C809 H80U 109.5 . . ?
H80S C809 H80T 109.5 . . ?
H80S C809 H80U 109.5 . . ?
H80T C809 H80U 109.5 . . ?
P9 C901 H90A 108.4 . . ?
P9 C901 H90B 108.4 . . ?
H90A C901 H90B 107.5 . . ?
C902 C901 P9 115(3) . . ?
C902 C901 H90A 108.4 . . ?
C902 C901 H90B 108.4 . . ?
C901 C902 H90C 107.5 . . ?
C901 C902 H90D 107.5 . . ?
H90C C902 H90D 107.0 . . ?
C903 C902 C901 119(4) . . ?
C903 C902 H90C 107.5 . . ?
C903 C902 H90D 107.5 . . ?
C902 C903 H90E 109.5 . . ?
C902 C903 H90F 109.5 . . ?
C902 C903 H90G 109.5 . . ?
H90E C903 H90F 109.5 . . ?
H90E C903 H90G 109.5 . . ?
H90F C903 H90G 109.5 . . ?
P9 C904 H90H 107.0 . . ?
P9 C904 H90I 107.0 . . ?
H90H C904 H90I 106.7 . . ?
C905 C904 P9 121(3) . . ?
C905 C904 H90H 107.0 . . ?
C905 C904 H90I 107.0 . . ?
C904 C905 H90J 101.4 . . ?
C904 C905 H90K 101.4 . . ?
C904 C905 C906 142(3) . . ?
H90J C905 H90K 104.6 . . ?
C906 C905 H90J 101.4 . . ?
C906 C905 H90K 101.4 . . ?
C905 C906 H90L 109.5 . . ?
C905 C906 H90M 109.5 . . ?
C905 C906 H90N 109.5 . . ?
H90L C906 H90M 109.5 . . ?
H90L C906 H90N 109.5 . . ?
H90M C906 H90N 109.5 . . ?
P9 C907 H90O 107.3 . . ?
P9 C907 H90P 107.3 . . ?
H90O C907 H90P 106.9 . . ?
C908 C907 P9 120(3) . . ?
C908 C907 H90O 107.3 . . ?
C908 C907 H90P 107.3 . . ?
C907 C908 H90Q 105.4 . . ?
C907 C908 H90R 105.4 . . ?
C907 C908 C909 127(4) . . ?
H90Q C908 H90R 106.0 . . ?
C909 C908 H90Q 105.4 . . ?
C909 C908 H90R 105.4 . . ?
C908 C909 H90S 109.5 . . ?
C908 C909 H90T 109.5 . . ?
C908 C909 H90U 109.5 . . ?
H90S C909 H90T 109.5 . . ?
H90S C909 H90U 109.5 . . ?
H90T C909 H90U 109.5 . . ?
P9 C910 H91A 109.6 . . ?
P9 C910 H91B 109.6 . . ?
H91A C910 H91B 108.1 . . ?
C911 C910 P9 110(2) . . ?
C911 C910 H91A 109.6 . . ?
C911 C910 H91B 109.6 . . ?
C910 C911 H91C 102.8 . . ?
C910 C911 H91D 102.8 . . ?
H91C C911 H91D 105.0 . . ?
C912 C911 C910 137(3) . . ?
C912 C911 H91C 102.8 . . ?
C912 C911 H91D 102.8 . . ?
C911 C912 H91E 109.5 . . ?
C911 C912 H91F 109.5 . . ?
C911 C912 H91G 109.5 . . ?
H91E C912 H91F 109.5 . . ?
H91E C912 H91G 109.5 . . ?
H91F C912 H91G 109.5 . . ?
P9 C913 H91H 109.4 . . ?
P9 C913 H91I 109.4 . . ?
H91H C913 H91I 108.0 . . ?
C914 C913 P9 111.1(18) . . ?
C914 C913 H91H 109.4 . . ?
C914 C913 H91I 109.4 . . ?
C913 C914 H91J 108.5 . . ?
C913 C914 H91K 108.5 . . ?
H91J C914 H91K 107.5 . . ?
C915 C914 C913 115(3) . . ?
C915 C914 H91J 108.5 . . ?
C915 C914 H91K 108.5 . . ?
C914 C915 H91L 109.5 . . ?
C914 C915 H91M 109.5 . . ?
C914 C915 H91N 109.5 . . ?
H91L C915 H91M 109.5 . . ?
H91L C915 H91N 109.5 . . ?
H91M C915 H91N 109.5 . . ?
P9 C916 H91O 109.8 . . ?
P9 C916 H91P 109.8 . . ?
H91O C916 H91P 108.3 . . ?
C917 C916 P9 109.3(18) . . ?
C917 C916 H91O 109.8 . . ?
C917 C916 H91P 109.8 . . ?
C916 C917 H91Q 110.9 . . ?
C916 C917 H91R 110.9 . . ?
C916 C917 C918 104(3) . . ?
H91Q C917 H91R 108.9 . . ?
C918 C917 H91Q 110.9 . . ?
C918 C917 H91R 110.9 . . ?
C917 C918 H91S 109.5 . . ?
C917 C918 H91T 109.5 . . ?
C917 C918 H91U 109.5 . . ?
H91S C918 H91T 109.5 . . ?
H91S C918 H91U 109.5 . . ?
H91T C918 H91U 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
Au2 P8 C801 C802 -164.6(12) . . . . ?
Au2 P8 C804 C805 -177.4(10) . . . . ?
Au2 P8 C807 C808 45.2(12) . . . . ?
Au3 P7 C701 C702 64.4(10) . . . . ?
Au3 P7 C704 C705 176.6(9) . . . . ?
Au3 P7 C707 C708 -61.8(9) . . . . ?
Au5 P4 C401 C402 -179.3(16) . . . . ?
Au5 P4 C404 C405 -58(3) . . . . ?
Au5 P4 C413 C414 51(3) . . . . ?
Au6 P2 C201 C202 -54.8(12) . . . . ?
Au6 P2 C204 C205 179.3(10) . . . . ?
Au6 P2 C207 C208 56.9(12) . . . . ?
Au7 P5 C501 C502 -55.9(12) . . . . ?
Au7 P5 C504 C505 -50.1(11) . . . . ?
Au7 P5 C507 C508 177.9(13) . . . . ?
Au8 P6 C601 C602 -179.2(9) . . . . ?
Au8 P6 C604 C605 -58.0(12) . . . . ?
Au8 P6 C607 C608 -62.5(13) . . . . ?
Au11 P3 C301 C302 66.6(11) . . . . ?
Au11 P3 C304 C305 178.2(11) . . . . ?
Au11 P3 C307 C308 67(3) . . . . ?
Au12 P1 C101 C102 45.0(13) . . . . ?
Au12 P1 C104 C105 -176.3(8) . . . . ?
Au12 P1 C107 C108 59.8(12) . . . . ?
Au13 P9 C901 C902 -64(3) . . . . ?
Au13 P9 C904 C905 -45(4) . . . . ?
Au13 P9 C907 C908 -49(4) . . . . ?
Au13 P9 C910 C911 65(2) . . . . ?
Au13 P9 C913 C914 72.8(19) . . . . ?
Au13 P9 C916 C917 54(2) . . . . ?
P1 C101 C102 C103 174.3(11) . . . . ?
P1 C104 C105 C106 -175.7(10) . . . . ?
P1 C107 C108 C109 -177.1(12) . . . . ?
P2 C201 C202 C203 168.0(11) . . . . ?
P2 C204 C205 C206 171.1(12) . . . . ?
P2 C207 C208 C209 174.3(11) . . . . ?
P3 C301 C302 C303 -168.2(10) . . . . ?
P3 C304 C305 C306 -175.4(12) . . . . ?
P3 C307 C308 C309 -171(2) . . . . ?
P3 C310 C311 C312 175(2) . . . . ?
P4 C401 C402 C403 173.5(17) . . . . ?
P4 C404 C405 C406 -176(5) . . . . ?
P4 C407 C408 C409 -178(2) . . . . ?
P4 C410 C411 C412 -156(5) . . . . ?
P4 C413 C414 C415 173(3) . . . . ?
P5 C501 C502 C503 -177.9(11) . . . . ?
P5 C504 C505 C506 170.6(10) . . . . ?
P5 C507 C508 C509 166.4(18) . . . . ?
P6 C601 C602 C603 176.7(11) . . . . ?
P6 C604 C605 C606 -173.5(10) . . . . ?
P6 C607 C608 C609 176.3(11) . . . . ?
P7 C701 C702 C703 -177.3(10) . . . . ?
P7 C704 C705 C706 -176.6(10) . . . . ?
P7 C707 C708 C709 -172.0(9) . . . . ?
P8 C801 C802 C803 177.7(13) . . . . ?
P8 C804 C805 C806 -168.5(11) . . . . ?
P8 C807 C808 C809 177.1(12) . . . . ?
P9 C901 C902 C903 -153(4) . . . . ?
P9 C904 C905 C906 -179(4) . . . . ?
P9 C907 C908 C909 177(4) . . . . ?
P9 C910 C911 C912 174(4) . . . . ?
P9 C913 C914 C915 174(2) . . . . ?
P9 C916 C917 C918 178(2) . . . . ?
C101 P1 C104 C105 61.6(11) . . . . ?
C101 P1 C107 C108 -177.5(11) . . . . ?
C104 P1 C101 C102 169.1(11) . . . . ?
C104 P1 C107 C108 -67.4(11) . . . . ?
C107 P1 C101 C102 -79.4(13) . . . . ?
C107 P1 C104 C105 -49.3(11) . . . . ?
C201 P2 C204 C205 55.5(13) . . . . ?
C201 P2 C207 C208 -177.4(11) . . . . ?
C204 P2 C201 C202 66.9(12) . . . . ?
C204 P2 C207 C208 -69.4(12) . . . . ?
C207 P2 C201 C202 175.7(12) . . . . ?
C207 P2 C204 C205 -49.1(13) . . . . ?
C301 P3 C304 C305 -56.3(14) . . . . ?
C301 P3 C307 C308 -64(3) . . . . ?
C304 P3 C301 C302 -59.4(11) . . . . ?
C304 P3 C307 C308 -175(2) . . . . ?
C307 P3 C301 C302 -162.0(16) . . . . ?
C307 P3 C304 C305 59.9(18) . . . . ?
C310 P3 C301 C302 -179.0(13) . . . . ?
C310 P3 C304 C305 45.7(17) . . . . ?
C401 P4 C404 C405 81(3) . . . . ?
C401 P4 C413 C414 -87(3) . . . . ?
C404 P4 C401 C402 37(2) . . . . ?
C407 P4 C401 C402 -61(2) . . . . ?
C407 P4 C404 C405 177(3) . . . . ?
C410 P4 C401 C402 74(2) . . . . ?
C410 P4 C413 C414 160(3) . . . . ?
C413 P4 C401 C402 -37(2) . . . . ?
C501 P5 C504 C505 77.9(11) . . . . ?
C501 P5 C507 C508 49.8(16) . . . . ?
C504 P5 C501 C502 178.9(10) . . . . ?
C504 P5 C507 C508 -60.0(16) . . . . ?
C507 P5 C501 C502 69.7(12) . . . . ?
C507 P5 C504 C505 -172.4(10) . . . . ?
C601 P6 C604 C605 -177.8(11) . . . . ?
C601 P6 C607 C608 67.2(14) . . . . ?
C604 P6 C601 C602 -58.9(12) . . . . ?
C604 P6 C607 C608 172.8(12) . . . . ?
C607 P6 C601 C602 45.9(13) . . . . ?
C607 P6 C604 C605 72.5(12) . . . . ?
C701 P7 C704 C705 -55.2(12) . . . . ?
C701 P7 C707 C708 173.7(9) . . . . ?
C704 P7 C701 C702 -65.3(10) . . . . ?
C704 P7 C707 C708 65.3(10) . . . . ?
C707 P7 C701 C702 -173.6(9) . . . . ?
C707 P7 C704 C705 53.7(11) . . . . ?
C801 P8 C804 C805 -56.1(12) . . . . ?
C801 P8 C807 C808 -75.1(12) . . . . ?
C804 P8 C801 C802 71.3(14) . . . . ?
C804 P8 C807 C808 171.6(11) . . . . ?
C807 P8 C801 C802 -40.6(14) . . . . ?
C807 P8 C804 C805 55.4(12) . . . . ?
C901 P9 C904 C905 -174(3) . . . . ?
C901 P9 C907 C908 73(4) . . . . ?
C904 P9 C901 C902 69(3) . . . . ?
C904 P9 C907 C908 -178(4) . . . . ?
C907 P9 C901 C902 177(3) . . . . ?
C907 P9 C904 C905 78(4) . . . . ?
C910 P9 C913 C914 -55(2) . . . . ?
C910 P9 C916 C917 -175(2) . . . . ?
C913 P9 C910 C911 -171(2) . . . . ?
C913 P9 C916 C917 -68(2) . . . . ?
C916 P9 C910 C911 -63(2) . . . . ?
C916 P9 C913 C914 -164.5(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene, pentane'
