# Electronic Supplementary Material (ESI) for Nanoscale Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_exp823
_database_code_depnum_ccdc_archive 'CCDC 2032118'
loop_
_audit_author_name
_audit_author_address
'Yukatsu Shichibu'
;Hokkaido University
Japan
;
_audit_update_record             
;
2020-09-15 deposited with the CCDC.	2020-11-05 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C140 H140 Au13 Cl2 F18 O10 P13'
_chemical_formula_iupac          ?
_chemical_formula_weight         5358.59
_chemical_absolute_configuration rm

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.902(2)
_cell_length_b                   30.413(3)
_cell_length_c                   31.212(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     17943.(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    318
_cell_measurement_theta_min      1.8481
_cell_measurement_theta_max      18.4162
_cell_measurement_temperature    90.0(2)

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.630
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.400
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9912

_exptl_absorpt_coefficient_mu    10.792
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.05
_exptl_absorpt_correction_T_max  0.10

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90.0(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            104645
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_av_unetI/netI     0.1057
_diffrn_reflns_theta_min         0.94
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       40

_refine_special_details          
;
Unexpectedly large residual density peaks are located on the gold atom locations. These peaks are probably caused by relatively low quality of the crystal, because such peaks were not observed in the X-ray structural analysis of the corresponding enantiomer.


Refined as a 2-component inversion twin.
;

_reflns_number_total             41260
_reflns_number_gt                30087
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1109
_refine_ls_R_factor_gt           0.0747
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.1785
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.000
_refine_ls_number_reflns         41260
_refine_ls_number_parameters     1535
_refine_ls_number_restraints     2818
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0372P)²+573.6959P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.014
_refine_diff_density_min         -3.282
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.111(16)

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_computing_data_collection       ?
_computing_cell_refinement       'APEX3 v2017.3-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 833)'
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.46772(6) 0.35926(3) 0.79087(4) 0.0359(2) Uani d U . . 1 . .
Au Au2 0.32631(6) 0.36904(3) 0.75471(4) 0.0357(2) Uani d U . . 1 . .
Au Au3 0.33804(6) 0.41132(4) 0.67021(4) 0.0435(3) Uani d U . . 1 . .
Au Au4 0.48873(6) 0.42603(4) 0.65411(4) 0.0445(3) Uani d U . . 1 . .
Au Au5 0.56895(6) 0.39312(4) 0.72833(4) 0.0378(3) Uani d U . . 1 . .
Au Au6 0.52834(6) 0.44445(4) 0.80296(4) 0.0400(3) Uani d U . . 1 . .
Au Au7 0.37498(6) 0.43049(4) 0.81745(4) 0.0405(3) Uani d U . . 1 . .
Au Au8 0.29818(6) 0.46271(4) 0.74289(4) 0.0437(3) Uani d U . . 1 . .
Au Au9 0.40271(7) 0.49658(4) 0.68266(4) 0.0479(3) Uani d U . . 1 . .
Au Au10 0.54523(6) 0.48567(4) 0.71854(4) 0.0418(3) Uani d U . . 1 . .
Au Au11 0.44267(6) 0.34838(4) 0.69842(4) 0.0412(3) Uani d U . . 1 . .
Au Au12 0.43397(6) 0.42768(4) 0.73647(4) 0.0337(2) Uani d U . . 1 . .
Au Au13 0.42549(7) 0.50787(4) 0.77290(4) 0.0457(3) Uani d U . . 1 . .
P P1 0.5283(4) 0.3150(3) 0.8376(3) 0.0462(19) Uani d U . D 1 . .
P P2 0.2499(4) 0.3229(2) 0.7903(3) 0.0418(18) Uani d U . D 1 . .
P P3 0.2350(5) 0.4008(3) 0.6320(3) 0.057(2) Uani d U . D 1 . .
P P4 0.5147(8) 0.4424(5) 0.5840(4) 0.100(4) Uani d U . D 1 . .
P P5 0.6848(5) 0.3819(3) 0.7100(3) 0.052(2) Uani d U . D 1 . .
P P6 0.5858(5) 0.4409(3) 0.8678(3) 0.053(2) Uani d U . D 1 . .
P P7 0.2984(5) 0.4228(3) 0.8737(3) 0.056(2) Uani d U . D 1 . .
P P8 0.1902(5) 0.4921(3) 0.7239(3) 0.062(2) Uani d U . D 1 . .
P P9 0.4026(6) 0.5472(3) 0.6283(3) 0.068(3) Uani d U . D 1 . .
P P10 0.6576(5) 0.5163(3) 0.7143(3) 0.052(2) Uani d U . D 1 . .
Cl Cl1 0.4493(5) 0.2803(3) 0.6639(3) 0.071(3) Uani d U . . 1 . .
Cl Cl2 0.4191(5) 0.5774(3) 0.8046(3) 0.068(3) Uani d U . . 1 . .
C C1V 0.5993(14) 0.3465(9) 0.8636(10) 0.053(7) Uani d U . D 1 . .
H H1VA 0.625694 0.327444 0.883716 0.064 Uiso calc U . R 1 . .
H H1VB 0.632767 0.357694 0.841766 0.064 Uiso calc U . R 1 . .
C C2V 0.5652(18) 0.3856(7) 0.8882(9) 0.051(7) Uani d U . D 1 . .
H H2VA 0.580474 0.383971 0.918526 0.061 Uiso calc U . R 1 . .
H H2VB 0.513181 0.381729 0.887741 0.061 Uiso calc U . R 1 . .
C C1W 0.2582(16) 0.3365(8) 0.8477(6) 0.045(6) Uani d U . D 1 . .
H H1WA 0.231569 0.314667 0.864829 0.054 Uiso calc U . R 1 . .
H H1WB 0.308544 0.334782 0.856212 0.054 Uiso calc U . R 1 . .
C C2W 0.2297(12) 0.3832(7) 0.8577(10) 0.043(6) Uani d U . D 1 . .
H H2WA 0.194293 0.380974 0.880972 0.052 Uiso calc U . R 1 . .
H H2WB 0.205127 0.394565 0.831948 0.052 Uiso calc U . R 1 . .
C C1X 0.1651(14) 0.4248(9) 0.6654(10) 0.061(7) Uani d U . D 1 . .
H H1XA 0.118219 0.417734 0.653003 0.073 Uiso calc U . R 1 . .
H H1XB 0.167272 0.412056 0.69456 0.073 Uiso calc U . R 1 . .
C C2X 0.1747(16) 0.4761(8) 0.6679(7) 0.051(7) Uani d U . D 1 . .
H H2XA 0.131745 0.490942 0.656912 0.062 Uiso calc U . R 1 . .
H H2XB 0.21536 0.485244 0.649961 0.062 Uiso calc U . R 1 . .
C C1Y 0.452(2) 0.4839(12) 0.5653(16) 0.121(11) Uani d U . D 1 . .
H H1YA 0.456794 0.487572 0.533856 0.145 Uiso calc U . R 1 . .
H H1YB 0.403267 0.474399 0.571607 0.145 Uiso calc U . R 1 . .
C C2Y 0.468(2) 0.5287(14) 0.5880(13) 0.107(10) Uani d U . D 1 . .
H H2YA 0.471273 0.551708 0.565745 0.129 Uiso calc U . R 1 . .
H H2YB 0.514276 0.526479 0.602176 0.129 Uiso calc U . R 1 . .
C C1Z 0.7211(17) 0.4337(7) 0.6896(9) 0.052(7) Uani d U . D 1 . .
H H1ZA 0.770378 0.428777 0.679952 0.062 Uiso calc U . R 1 . .
H H1ZB 0.693072 0.443378 0.664561 0.062 Uiso calc U . R 1 . .
C C2Z 0.7203(13) 0.4705(7) 0.7243(9) 0.047(6) Uani d U . D 1 . .
H H2ZA 0.768581 0.48286 0.726661 0.057 Uiso calc U . R 1 . .
H H2ZB 0.708495 0.456954 0.752247 0.057 Uiso calc U . R 1 . .
C C1A 0.5726(10) 0.2705(6) 0.8096(6) 0.053(6) Uani d U . DG 1 . .
C C2A 0.5525(11) 0.2663(7) 0.7670(7) 0.071(8) Uani d U . G 1 . .
H H2A 0.516834 0.284903 0.75549 0.085 Uiso calc U . R 1 . .
C C3A 0.5847(14) 0.2350(8) 0.7411(5) 0.091(9) Uani d U . G 1 . .
H H3A 0.571062 0.232102 0.711958 0.109 Uiso calc U . R 1 . .
C C4A 0.6370(14) 0.2078(7) 0.7579(7) 0.078(9) Uani d U . G 1 . .
H H4A 0.658998 0.186379 0.740234 0.093 Uiso calc U . R 1 . .
C C5A 0.6570(11) 0.2120(7) 0.8006(7) 0.080(9) Uani d U . G 1 . .
H H5A 0.692706 0.193455 0.812041 0.096 Uiso calc U . R 1 . .
C C6A 0.6248(11) 0.2434(7) 0.8264(5) 0.049(6) Uani d U . DG 1 . .
O O6A 0.6406(11) 0.2499(7) 0.8677(6) 0.055(5) Uani d U . D 1 . .
C C7A 0.687(2) 0.2192(13) 0.8886(11) 0.082(12) Uani d U . D 1 . .
H H7AA 0.685202 0.19093 0.873555 0.124 Uiso calc U . R 1 . .
H H7AB 0.671539 0.215122 0.918329 0.124 Uiso calc U . R 1 . .
H H7AC 0.735316 0.230601 0.88817 0.124 Uiso calc U . R 1 . .
C C1B 0.4789(10) 0.2889(7) 0.8805(6) 0.052(6) Uani d U . G 1 . .
C C2B 0.4123(11) 0.2725(7) 0.8705(5) 0.048(6) Uani d U . G 1 . .
H H2B 0.394854 0.274751 0.842006 0.057 Uiso calc U . R 1 . .
C C3B 0.3713(9) 0.2528(7) 0.9020(7) 0.056(7) Uani d U . G 1 . .
H H3B 0.325764 0.241556 0.895144 0.067 Uiso calc U . R 1 . .
C C4B 0.3968(11) 0.2495(7) 0.9437(6) 0.067(8) Uani d U . G 1 . .
H H4B 0.368773 0.23598 0.965234 0.08 Uiso calc U . R 1 . .
C C5B 0.4634(12) 0.2659(7) 0.9537(5) 0.062(8) Uani d U . G 1 . .
H H5B 0.480874 0.263598 0.982187 0.074 Uiso calc U . R 1 . .
C C6B 0.5045(9) 0.2856(7) 0.9222(7) 0.058(7) Uani d U . G 1 . .
H H6B 0.549966 0.296793 0.92905 0.069 Uiso calc U . R 1 . .
C C1C 0.2747(11) 0.2653(4) 0.7850(7) 0.050(6) Uani d U . DG 1 . .
C C2C 0.3270(11) 0.2554(5) 0.7552(7) 0.058(7) Uani d U . G 1 . .
H H2C 0.347383 0.278192 0.738438 0.07 Uiso calc U . R 1 . .
C C3C 0.3495(11) 0.2122(6) 0.7500(7) 0.062(8) Uani d U . G 1 . .
H H3C 0.385197 0.205496 0.729576 0.075 Uiso calc U . R 1 . .
C C4C 0.3197(13) 0.1789(4) 0.7745(8) 0.067(8) Uani d U . G 1 . .
H H4C 0.335018 0.149392 0.770909 0.081 Uiso calc U . R 1 . .
C C5C 0.2674(13) 0.1888(5) 0.8043(7) 0.069(8) Uani d U . G 1 . .
H H5C 0.247025 0.165982 0.821103 0.083 Uiso calc U . R 1 . .
C C6C 0.2449(11) 0.2319(6) 0.8096(7) 0.064(7) Uani d U . DG 1 . .
O O6C 0.1937(14) 0.2440(8) 0.8369(9) 0.090(8) Uani d U . D 1 . .
C C7C 0.161(2) 0.2089(12) 0.8612(12) 0.088(13) Uani d U . D 1 . .
H H7CA 0.125176 0.22142 0.880643 0.133 Uiso calc U . R 1 . .
H H7CB 0.196548 0.193269 0.877794 0.133 Uiso calc U . R 1 . .
H H7CC 0.137411 0.188409 0.841409 0.133 Uiso calc U . R 1 . .
C C1D 0.1573(9) 0.3268(7) 0.7771(8) 0.058(7) Uani d U . G 1 . .
C C2D 0.1425(11) 0.3312(7) 0.7337(7) 0.065(8) Uani d U . G 1 . .
H H2D 0.179836 0.330454 0.713326 0.078 Uiso calc U . R 1 . .
C C3D 0.0731(13) 0.3368(8) 0.7200(6) 0.072(8) Uani d U . G 1 . .
H H3D 0.062958 0.339822 0.690369 0.086 Uiso calc U . R 1 . .
C C4D 0.0184(9) 0.3379(8) 0.7498(8) 0.076(8) Uani d U . G 1 . .
H H4D -0.029055 0.341693 0.74049 0.091 Uiso calc U . R 1 . .
C C5D 0.0332(10) 0.3334(8) 0.7932(7) 0.075(8) Uani d U . G 1 . .
H H5D -0.004189 0.334195 0.813569 0.09 Uiso calc U . R 1 . .
C C6D 0.1026(12) 0.3279(8) 0.8069(6) 0.067(8) Uani d U . G 1 . .
H H6D 0.11269 0.324826 0.836526 0.081 Uiso calc U . R 1 . .
C C1E 0.2156(14) 0.3416(6) 0.6243(9) 0.071(7) Uani d U . DG 1 . .
C C2E 0.2701(11) 0.3130(9) 0.6352(9) 0.091(10) Uani d U . G 1 . .
H H2E 0.314045 0.32429 0.645074 0.109 Uiso calc U . R 1 . .
C C3E 0.2604(15) 0.2678(8) 0.6316(10) 0.106(11) Uani d U . G 1 . .
H H3E 0.297616 0.248283 0.639042 0.127 Uiso calc U . R 1 . .
C C4E 0.1961(18) 0.2513(6) 0.6172(11) 0.108(11) Uani d U . G 1 . .
H H4E 0.189454 0.220405 0.614713 0.13 Uiso calc U . R 1 . .
C C5E 0.1416(13) 0.2799(9) 0.6063(10) 0.102(10) Uani d U . G 1 . .
H H5E 0.09772 0.268535 0.596416 0.122 Uiso calc U . R 1 . .
C C6E 0.1514(12) 0.3250(8) 0.6099(10) 0.088(8) Uani d U . DG 1 . .
O O6E 0.1037(13) 0.3556(9) 0.5999(10) 0.096(8) Uani d U . D 1 . .
C C7E 0.0390(16) 0.3411(15) 0.5796(15) 0.102(14) Uani d U . D 1 . .
H H7EA 0.005212 0.365548 0.578793 0.153 Uiso calc U . R 1 . .
H H7EB 0.018732 0.316677 0.595942 0.153 Uiso calc U . R 1 . .
H H7EC 0.049276 0.33141 0.550328 0.153 Uiso calc U . R 1 . .
C C1F 0.2262(14) 0.4245(10) 0.5785(7) 0.071(7) Uani d U . G 1 . .
C C2F 0.2834(12) 0.4202(9) 0.5508(9) 0.079(9) Uani d U . G 1 . .
H H2F 0.325319 0.40593 0.560145 0.095 Uiso calc U . R 1 . .
C C3F 0.2792(14) 0.4369(11) 0.5094(8) 0.092(10) Uani d U . G 1 . .
H H3F 0.318224 0.434034 0.490487 0.11 Uiso calc U . R 1 . .
C C4F 0.2178(17) 0.4579(11) 0.4958(7) 0.099(10) Uani d U . G 1 . .
H H4F 0.214927 0.469267 0.467499 0.119 Uiso calc U . R 1 . .
C C5F 0.1607(13) 0.4621(10) 0.5235(9) 0.102(10) Uani d U . G 1 . .
H H5F 0.118725 0.476397 0.514168 0.122 Uiso calc U . R 1 . .
C C6F 0.1649(12) 0.4454(10) 0.5649(8) 0.086(9) Uani d U . G 1 . .
H H6F 0.12582 0.448292 0.583826 0.103 Uiso calc U . R 1 . .
C C1G 0.477(2) 0.3962(8) 0.5526(7) 0.122(10) Uani d U . DG 1 . .
C C2G 0.455(2) 0.3579(9) 0.5730(9) 0.147(13) Uani d U . DG 1 . .
H H2G 0.456677 0.355957 0.603354 0.176 Uiso calc U . R 1 . .
C C3G 0.432(2) 0.3224(8) 0.5489(12) 0.162(14) Uani d U . G 1 . .
H H3G 0.416633 0.296183 0.562857 0.195 Uiso calc U . R 1 . .
C C4G 0.430(2) 0.3252(10) 0.5045(12) 0.157(14) Uani d U . G 1 . .
H H4G 0.413337 0.300895 0.488054 0.188 Uiso calc U . R 1 . .
C C5G 0.451(2) 0.3635(11) 0.4841(8) 0.146(13) Uani d U . DG 1 . .
H H5G 0.450083 0.365381 0.453747 0.175 Uiso calc U . R 1 . .
C C6G 0.4752(17) 0.3990(9) 0.5082(7) 0.140(11) Uani d U . DG 1 . .
O O6G 0.502(2) 0.4345(10) 0.4891(9) 0.140(11) Uani d U . D 1 . .
C C7G 0.517(4) 0.4292(19) 0.4434(12) 0.17(2) Uani d U . D 1 . .
H H7GA 0.536619 0.456646 0.431964 0.262 Uiso calc U . R 1 . .
H H7GB 0.551596 0.405423 0.439405 0.262 Uiso calc U . R 1 . .
H H7GC 0.473374 0.421888 0.428118 0.262 Uiso calc U . R 1 . .
C C1H 0.6102(16) 0.4454(15) 0.5734(12) 0.112(10) Uani d U . G 1 . .
C C2H 0.634(2) 0.4022(13) 0.5741(12) 0.133(13) Uani d U . G 1 . .
H H2H 0.602189 0.379022 0.580952 0.16 Uiso calc U . R 1 . .
C C3H 0.704(2) 0.3928(12) 0.5648(13) 0.142(13) Uani d U . G 1 . .
H H3H 0.72057 0.363239 0.565326 0.171 Uiso calc U . R 1 . .
C C4H 0.7508(17) 0.4267(16) 0.5548(13) 0.144(14) Uani d U . G 1 . .
H H4H 0.798905 0.420247 0.548465 0.173 Uiso calc U . R 1 . .
C C5H 0.727(2) 0.4699(14) 0.5541(13) 0.145(13) Uani d U . G 1 . .
H H5H 0.758858 0.493038 0.547229 0.174 Uiso calc U . R 1 . .
C C6H 0.657(2) 0.4793(11) 0.5634(13) 0.136(13) Uani d U . G 1 . .
H H6H 0.640476 0.508822 0.562853 0.164 Uiso calc U . R 1 . .
C C1I 0.6941(12) 0.3399(7) 0.6683(7) 0.061(7) Uani d U . DG 1 . .
C C2I 0.6331(9) 0.3194(8) 0.6534(8) 0.057(7) Uani d U . G 1 . .
H H2I 0.588507 0.326621 0.66557 0.068 Uiso calc U . R 1 . .
C C3I 0.6373(12) 0.2885(8) 0.6208(8) 0.084(9) Uani d U . G 1 . .
H H3I 0.59565 0.274484 0.610607 0.101 Uiso calc U . R 1 . .
C C4I 0.7026(15) 0.2780(8) 0.6030(8) 0.095(10) Uani d U . G 1 . .
H H4I 0.7055 0.256797 0.580643 0.114 Uiso calc U . R 1 . .
C C5I 0.7636(11) 0.2984(9) 0.6178(9) 0.101(10) Uani d U . G 1 . .
H H5I 0.808206 0.291247 0.60564 0.121 Uiso calc U . R 1 . .
C C6I 0.7594(10) 0.3294(8) 0.6505(8) 0.088(8) Uani d U . DG 1 . .
O O6I 0.8134(11) 0.3536(9) 0.6650(8) 0.088(8) Uani d U . D 1 . .
C C7I 0.8828(13) 0.3459(16) 0.6479(16) 0.105(15) Uani d U . D 1 . .
H H7IA 0.878819 0.329182 0.621124 0.157 Uiso calc U . R 1 . .
H H7IB 0.91088 0.32915 0.668578 0.157 Uiso calc U . R 1 . .
H H7IC 0.905937 0.374125 0.642132 0.157 Uiso calc U . R 1 . .
C C1J 0.7487(13) 0.3646(9) 0.7507(8) 0.069(7) Uani d U . G 1 . .
C C2J 0.7253(13) 0.3297(9) 0.7758(10) 0.093(10) Uani d U . G 1 . .
H H2J 0.682709 0.314866 0.768586 0.111 Uiso calc U . R 1 . .
C C3J 0.7643(18) 0.3165(9) 0.8113(10) 0.105(11) Uani d U . G 1 . .
H H3J 0.748273 0.292654 0.828381 0.126 Uiso calc U . R 1 . .
C C4J 0.8266(17) 0.3382(11) 0.8218(9) 0.107(11) Uani d U . G 1 . .
H H4J 0.853224 0.3292 0.846064 0.129 Uiso calc U . R 1 . .
C C5J 0.8500(13) 0.3731(10) 0.7968(10) 0.099(10) Uani d U . G 1 . .
H H5J 0.892611 0.387958 0.803951 0.119 Uiso calc U . R 1 . .
C C6J 0.8111(14) 0.3863(8) 0.7613(9) 0.076(9) Uani d U . G 1 . .
H H6J 0.827048 0.41017 0.744154 0.092 Uiso calc U . R 1 . .
C C1K 0.5491(14) 0.4814(7) 0.9055(7) 0.066(7) Uani d U . DG 1 . .
C C2K 0.5026(13) 0.5128(8) 0.8895(6) 0.073(8) Uani d U . G 1 . .
H H2K 0.487088 0.511117 0.860618 0.087 Uiso calc U . R 1 . .
C C3K 0.4789(14) 0.5466(8) 0.9158(8) 0.083(9) Uani d U . G 1 . .
H H3K 0.447128 0.56807 0.904835 0.1 Uiso calc U . R 1 . .
C C4K 0.5017(16) 0.5491(8) 0.9581(8) 0.092(10) Uani d U . G 1 . .
H H4K 0.485443 0.572227 0.976009 0.111 Uiso calc U . R 1 . .
C C5K 0.5482(16) 0.5177(9) 0.9741(6) 0.096(10) Uani d U . G 1 . .
H H5K 0.563718 0.51943 1.002967 0.116 Uiso calc U . R 1 . .
C C6K 0.5719(14) 0.4839(8) 0.9478(7) 0.084(8) Uani d U . DG 1 . .
O O6K 0.6091(15) 0.4480(8) 0.9612(7) 0.085(8) Uani d U . D 1 . .
C C7K 0.627(2) 0.4465(14) 1.0062(10) 0.103(14) Uani d U . D 1 . .
H H7KA 0.671829 0.430592 1.009926 0.154 Uiso calc U . R 1 . .
H H7KB 0.589565 0.431314 1.022023 0.154 Uiso calc U . R 1 . .
H H7KC 0.632217 0.476496 1.017184 0.154 Uiso calc U . R 1 . .
C C1L 0.6822(10) 0.4490(8) 0.8706(8) 0.057(7) Uani d U . G 1 . .
C C2L 0.7113(13) 0.4851(7) 0.8497(8) 0.076(9) Uani d U . G 1 . .
H H2L 0.681605 0.50462 0.834241 0.092 Uiso calc U . R 1 . .
C C3L 0.7838(13) 0.4925(8) 0.8515(8) 0.078(9) Uani d U . G 1 . .
H H3L 0.803641 0.517166 0.837241 0.093 Uiso calc U . R 1 . .
C C4L 0.8272(10) 0.4639(10) 0.8742(9) 0.089(10) Uani d U . G 1 . .
H H4L 0.876699 0.468967 0.875415 0.107 Uiso calc U . R 1 . .
C C5L 0.7981(13) 0.4278(9) 0.8951(9) 0.094(10) Uani d U . G 1 . .
H H5L 0.827721 0.408222 0.91059 0.113 Uiso calc U . R 1 . .
C C6L 0.7256(14) 0.4203(7) 0.8933(8) 0.080(9) Uani d U . G 1 . .
H H6L 0.705685 0.395676 0.90759 0.097 Uiso calc U . R 1 . .
C C1M 0.2539(11) 0.4752(5) 0.8863(7) 0.055(7) Uani d U . DG 1 . .
C C2M 0.2773(10) 0.5133(6) 0.8661(7) 0.057(7) Uani d U . G 1 . .
H H2M 0.319432 0.512765 0.849503 0.069 Uiso calc U . R 1 . .
C C3M 0.2391(12) 0.5521(5) 0.8702(7) 0.063(8) Uani d U . G 1 . .
H H3M 0.255144 0.578128 0.856451 0.075 Uiso calc U . R 1 . .
C C4M 0.1775(12) 0.5529(6) 0.8945(8) 0.073(8) Uani d U . G 1 . .
H H4M 0.151412 0.579422 0.897347 0.087 Uiso calc U . R 1 . .
C C5M 0.1541(10) 0.5148(7) 0.9147(7) 0.069(8) Uani d U . G 1 . .
H H5M 0.111967 0.515353 0.931295 0.083 Uiso calc U . R 1 . .
C C6M 0.1923(12) 0.4760(6) 0.9106(7) 0.063(7) Uani d U . DG 1 . .
O O6M 0.1728(14) 0.4381(7) 0.9297(8) 0.075(7) Uani d U . D 1 . .
C C7M 0.114(2) 0.4405(15) 0.9592(15) 0.121(16) Uani d U . D 1 . .
H H7MA 0.069717 0.444132 0.943042 0.182 Uiso calc U . R 1 . .
H H7MB 0.120245 0.465609 0.978462 0.182 Uiso calc U . R 1 . .
H H7MC 0.111476 0.413332 0.976036 0.182 Uiso calc U . R 1 . .
C C1N 0.3300(17) 0.3998(10) 0.9234(8) 0.085(8) Uani d U . G 1 . .
C C2N 0.3934(17) 0.4168(9) 0.9388(10) 0.097(10) Uani d U . G 1 . .
H H2N 0.414597 0.44135 0.925111 0.117 Uiso calc U . R 1 . .
C C3N 0.4257(14) 0.3978(12) 0.9743(11) 0.107(11) Uani d U . G 1 . .
H H3N 0.46895 0.409394 0.984839 0.128 Uiso calc U . R 1 . .
C C4N 0.3946(19) 0.3618(12) 0.9943(9) 0.108(11) Uani d U . G 1 . .
H H4N 0.416686 0.348848 1.018576 0.13 Uiso calc U . R 1 . .
C C5N 0.3313(19) 0.3448(9) 0.9789(10) 0.105(11) Uani d U . G 1 . .
H H5N 0.31007 0.320259 0.992586 0.126 Uiso calc U . R 1 . .
C C6N 0.2990(14) 0.3638(11) 0.9434(10) 0.095(10) Uani d U . G 1 . .
H H6N 0.255716 0.352216 0.932858 0.114 Uiso calc U . R 1 . .
C C1O 0.1901(15) 0.5525(5) 0.7300(10) 0.084(8) Uani d U . DG 1 . .
C C2O 0.2439(12) 0.5711(7) 0.7543(10) 0.082(9) Uani d U . G 1 . .
H H2O 0.280672 0.553148 0.765427 0.099 Uiso calc U . R 1 . .
C C3O 0.2439(14) 0.6161(8) 0.7623(10) 0.091(9) Uani d U . G 1 . .
H H3O 0.28068 0.628831 0.778919 0.11 Uiso calc U . R 1 . .
C C4O 0.1901(16) 0.6424(5) 0.7460(11) 0.105(10) Uani d U . G 1 . .
H H4O 0.190116 0.673093 0.751492 0.126 Uiso calc U . R 1 . .
C C5O 0.1363(14) 0.6237(8) 0.7217(11) 0.103(10) Uani d U . G 1 . .
H H5O 0.099543 0.641672 0.710571 0.124 Uiso calc U . R 1 . .
C C6O 0.1363(14) 0.5787(8) 0.7137(10) 0.095(9) Uani d U . DG 1 . .
O O6O 0.0843(14) 0.5592(9) 0.6921(11) 0.105(9) Uani d U . D 1 . .
C C7O 0.035(2) 0.5859(16) 0.6684(18) 0.134(18) Uani d U . D 1 . .
H H7OA 0.045792 0.584359 0.637742 0.2 Uiso calc U . R 1 . .
H H7OB 0.038091 0.616494 0.678074 0.2 Uiso calc U . R 1 . .
H H7OC -0.013462 0.575052 0.673223 0.2 Uiso calc U . R 1 . .
C C1P 0.1139(11) 0.4752(8) 0.7566(8) 0.066(7) Uani d U . G 1 . .
C C2P 0.1216(11) 0.4686(8) 0.8005(8) 0.068(8) Uani d U . G 1 . .
H H2P 0.166616 0.472261 0.813549 0.081 Uiso calc U . R 1 . .
C C3P 0.0635(15) 0.4566(9) 0.8251(6) 0.080(9) Uani d U . G 1 . .
H H3P 0.068762 0.452106 0.855058 0.095 Uiso calc U . R 1 . .
C C4P -0.0023(12) 0.4513(10) 0.8060(9) 0.090(10) Uani d U . G 1 . .
H H4P -0.042049 0.44311 0.822805 0.108 Uiso calc U . R 1 . .
C C5P -0.0100(11) 0.4579(9) 0.7621(9) 0.095(10) Uani d U . G 1 . .
H H5P -0.055006 0.454269 0.749043 0.113 Uiso calc U . R 1 . .
C C6P 0.0481(14) 0.4699(9) 0.7375(7) 0.081(9) Uani d U . G 1 . .
H H6P 0.042848 0.474424 0.707534 0.098 Uiso calc U . R 1 . .
C C1Q 0.4476(14) 0.5976(6) 0.6451(7) 0.070(7) Uani d U . DG 1 . .
C C2Q 0.4660(13) 0.6030(7) 0.6879(7) 0.072(8) Uani d U . G 1 . .
H H2Q 0.455566 0.580525 0.708054 0.087 Uiso calc U . R 1 . .
C C3Q 0.4996(14) 0.6413(8) 0.7012(6) 0.071(8) Uani d U . G 1 . .
H H3Q 0.512208 0.644971 0.730425 0.086 Uiso calc U . R 1 . .
C C4Q 0.5149(14) 0.6742(6) 0.6717(8) 0.078(9) Uani d U . G 1 . .
H H4Q 0.537904 0.700337 0.680746 0.093 Uiso calc U . R 1 . .
C C5Q 0.4965(14) 0.6688(6) 0.6289(7) 0.078(9) Uani d U . G 1 . .
H H5Q 0.506959 0.691257 0.608697 0.094 Uiso calc U . R 1 . .
C C6Q 0.4629(15) 0.6305(8) 0.6156(6) 0.073(8) Uani d U . DG 1 . .
O O6Q 0.4455(16) 0.6244(9) 0.5746(7) 0.090(8) Uani d U . D 1 . .
C C7Q 0.467(3) 0.6562(13) 0.5433(10) 0.109(15) Uani d U . D 1 . .
H H7QA 0.437361 0.653243 0.517663 0.163 Uiso calc U . R 1 . .
H H7QB 0.516564 0.651302 0.535678 0.163 Uiso calc U . R 1 . .
H H7QC 0.461424 0.685865 0.55516 0.163 Uiso calc U . R 1 . .
C C1R 0.3190(15) 0.5658(11) 0.6069(12) 0.094(9) Uani d U . G 1 . .
C C2R 0.2850(19) 0.5961(11) 0.6331(9) 0.107(11) Uani d U . G 1 . .
H H2R 0.307974 0.606795 0.65808 0.128 Uiso calc U . R 1 . .
C C3R 0.2176(19) 0.6108(11) 0.6227(11) 0.111(11) Uani d U . G 1 . .
H H3R 0.194393 0.631588 0.640604 0.134 Uiso calc U . R 1 . .
C C4R 0.1840(15) 0.5952(12) 0.5861(13) 0.117(12) Uani d U . G 1 . .
H H4R 0.137898 0.605278 0.579019 0.141 Uiso calc U . R 1 . .
C C5R 0.218(2) 0.5649(12) 0.5599(10) 0.126(12) Uani d U . G 1 . .
H H5R 0.194985 0.554175 0.534908 0.151 Uiso calc U . R 1 . .
C C6R 0.285(2) 0.5501(10) 0.5703(11) 0.119(12) Uani d U . G 1 . .
H H6R 0.308567 0.529381 0.552383 0.143 Uiso calc U . R 1 . .
C C1S 0.6727(11) 0.5555(6) 0.7580(6) 0.060(7) Uani d U . DG 1 . .
C C2S 0.6148(8) 0.5697(7) 0.7817(7) 0.052(7) Uani d U . G 1 . .
H H2S 0.568768 0.55912 0.774967 0.063 Uiso calc U . R 1 . .
C C3S 0.6241(10) 0.5992(7) 0.8151(7) 0.065(8) Uani d U . G 1 . .
H H3S 0.584518 0.608905 0.831326 0.078 Uiso calc U . R 1 . .
C C4S 0.6914(12) 0.6147(7) 0.8249(6) 0.070(8) Uani d U . G 1 . .
H H4S 0.697828 0.634876 0.847794 0.084 Uiso calc U . R 1 . .
C C5S 0.7494(9) 0.6005(8) 0.8012(7) 0.074(8) Uani d U . G 1 . .
H H5S 0.79539 0.611061 0.807904 0.088 Uiso calc U . R 1 . .
C C6S 0.7400(9) 0.5709(7) 0.7677(7) 0.063(7) Uani d U . DG 1 . .
O O6S 0.7923(11) 0.5572(8) 0.7419(8) 0.072(6) Uani d U . D 1 . .
C C7S 0.8616(12) 0.5758(14) 0.7468(13) 0.082(12) Uani d U . D 1 . .
H H7SA 0.897061 0.554773 0.736533 0.123 Uiso calc U . R 1 . .
H H7SB 0.870128 0.582178 0.77715 0.123 Uiso calc U . R 1 . .
H H7SC 0.864859 0.602997 0.730169 0.123 Uiso calc U . R 1 . .
C C1T 0.6871(12) 0.5433(7) 0.6673(6) 0.058(7) Uani d U . G 1 . .
C C2T 0.6408(10) 0.5742(8) 0.6503(7) 0.058(7) Uani d U . G 1 . .
H H2T 0.59488 0.577645 0.662243 0.07 Uiso calc U . R 1 . .
C C3T 0.6616(12) 0.6002(7) 0.6159(7) 0.058(7) Uani d U . G 1 . .
H H3T 0.629896 0.621304 0.604269 0.07 Uiso calc U . R 1 . .
C C4T 0.7287(13) 0.5952(8) 0.5984(7) 0.075(8) Uani d U . G 1 . .
H H4T 0.742965 0.612931 0.574855 0.089 Uiso calc U . R 1 . .
C C5T 0.7751(10) 0.5643(9) 0.6154(8) 0.077(9) Uani d U . G 1 . .
H H5T 0.821017 0.5609 0.603416 0.093 Uiso calc U . R 1 . .
C C6T 0.7543(11) 0.5384(7) 0.6498(8) 0.067(8) Uani d U . G 1 . .
H H6T 0.786001 0.517241 0.66139 0.081 Uiso calc U . R 1 . .
P P1A -0.0506(12) 0.2023(7) 0.6366(7) 0.193(9) Uani d U . D 1 . .
F F1A -0.078(2) 0.2269(11) 0.5902(10) 0.230(19) Uani d U . D 1 . .
F F2A 0.0277(17) 0.1887(12) 0.6131(12) 0.236(19) Uani d U . D 1 . .
F F3A -0.023(2) 0.1783(11) 0.6839(10) 0.233(19) Uani d U . D 1 . .
F F4A -0.1295(17) 0.2164(12) 0.6613(11) 0.214(18) Uani d U . D 1 . .
F F5A -0.0874(19) 0.1536(10) 0.6210(10) 0.193(16) Uani d U . D 1 . .
F F6A -0.0151(19) 0.2516(10) 0.6534(11) 0.212(17) Uani d U . D 1 . .
P P1B 0.9457(7) 0.4680(5) 0.6162(5) 0.125(5) Uani d U . D 1 . .
F F1B 0.8728(11) 0.4429(9) 0.6232(9) 0.165(13) Uani d U . D 1 . .
F F2B 0.9852(11) 0.4305(8) 0.6429(8) 0.133(11) Uani d U . D 1 . .
F F3B 1.0188(11) 0.4927(8) 0.6096(9) 0.140(11) Uani d U . D 1 . .
F F4B 0.9062(11) 0.5048(8) 0.5901(8) 0.142(11) Uani d U . D 1 . .
F F5B 0.9590(15) 0.4411(9) 0.5737(7) 0.175(14) Uani d U . D 1 . .
F F6B 0.9330(15) 0.4944(9) 0.6593(8) 0.171(14) Uani d U . D 1 . .
P P1C 0.2471(14) 0.1838(8) 1.0199(8) 0.269(13) Uani d U . D 1 . .
F F1C 0.234(3) 0.1301(11) 1.0182(13) 0.27(2) Uani d U . D 1 . .
F F2C 0.260(2) 0.1807(14) 1.0722(10) 0.232(19) Uani d U . D 1 . .
F F3C 0.262(3) 0.2371(11) 1.0215(13) 0.27(2) Uani d U . D 1 . .
F F4C 0.236(2) 0.1865(14) 0.9677(10) 0.24(2) Uani d U . D 1 . .
F F5C 0.1623(18) 0.1921(15) 1.0269(14) 0.25(2) Uani d U . D 1 . .
F F6C 0.333(2) 0.1751(16) 1.0126(14) 0.31(2) Uani d U . D 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 . 2.292(8) ?
Au1 Au12 . 2.7603(16) ?
Au1 Au6 . 2.8580(16) ?
Au1 Au7 . 2.9075(15) ?
Au1 Au2 . 2.9167(16) ?
Au1 Au5 . 2.9211(15) ?
Au1 Au11 . 2.9428(16) ?
Au2 P2 . 2.301(7) ?
Au2 Au12 . 2.7653(15) ?
Au2 Au7 . 2.8590(16) ?
Au2 Au11 . 2.8845(15) ?
Au2 Au8 . 2.9215(15) ?
Au2 Au3 . 2.9426(16) ?
Au3 P3 . 2.306(9) ?
Au3 Au12 . 2.7953(17) ?
Au3 Au8 . 2.8561(18) ?
Au3 Au11 . 2.8899(18) ?
Au3 Au9 . 2.8931(17) ?
Au3 Au4 . 2.9269(17) ?
Au4 P4 . 2.298(11) ?
Au4 Au12 . 2.7718(16) ?
Au4 Au9 . 2.8358(19) ?
Au4 Au11 . 2.8720(17) ?
Au4 Au10 . 2.9112(17) ?
Au4 Au5 . 2.9440(17) ?
Au5 P5 . 2.288(9) ?
Au5 Au12 . 2.7711(16) ?
Au5 Au10 . 2.8664(16) ?
Au5 Au11 . 2.9020(16) ?
Au5 Au6 . 2.9073(15) ?
Au6 P6 . 2.301(9) ?
Au6 Au12 . 2.7836(16) ?
Au6 Au13 . 2.8948(17) ?
Au6 Au10 . 2.9353(17) ?
Au6 Au7 . 2.9645(17) ?
Au7 P7 . 2.287(9) ?
Au7 Au12 . 2.7640(16) ?
Au7 Au13 . 2.8956(17) ?
Au7 Au8 . 2.9128(18) ?
Au8 P8 . 2.305(8) ?
Au8 Au12 . 2.7865(16) ?
Au8 Au9 . 2.9155(17) ?
Au8 Au13 . 2.9248(18) ?
Au9 P9 . 2.290(9) ?
Au9 Au12 . 2.7498(16) ?
Au9 Au13 . 2.8699(19) ?
Au9 Au10 . 2.9363(18) ?
Au10 P10 . 2.323(9) ?
Au10 Au12 . 2.8012(16) ?
Au10 Au13 . 2.9082(17) ?
Au11 Cl1 . 2.338(8) ?
Au11 Au12 . 2.6936(15) ?
Au12 Au13 . 2.6955(16) ?
Au13 Cl2 . 2.338(8) ?
P1 C1B . 1.815(16) ?
P1 C1A . 1.815(14) ?
P1 C1V . 1.837(19) ?
P2 C1D . 1.803(18) ?
P2 C1C . 1.821(13) ?
P2 C1W . 1.846(19) ?
P3 C1F . 1.83(2) ?
P3 C1X . 1.83(2) ?
P3 C1E . 1.853(16) ?
P4 C1Y . 1.83(2) ?
P4 C1H . 1.84(3) ?
P4 C1G . 1.854(14) ?
P5 C1Z . 1.831(18) ?
P5 C1J . 1.83(2) ?
P5 C1I . 1.833(14) ?
P6 C1L . 1.84(2) ?
P6 C1K . 1.839(15) ?
P6 C2V . 1.842(19) ?
P7 C1N . 1.80(3) ?
P7 C2W . 1.843(19) ?
P7 C1M . 1.845(14) ?
P8 C2X . 1.84(2) ?
P8 C1P . 1.84(2) ?
P8 C1O . 1.846(15) ?
P9 C1R . 1.81(3) ?
P9 C1Q . 1.830(14) ?
P9 C2Y . 1.85(2) ?
P10 C1T . 1.774(18) ?
P10 C1S . 1.833(14) ?
P10 C2Z . 1.85(2) ?
C1V C2V . 1.56(3) ?
C1V H1VA . 0.99 ?
C1V H1VB . 0.99 ?
C2V H2VA . 0.99 ?
C2V H2VB . 0.99 ?
C1W C2W . 1.55(2) ?
C1W H1WA . 0.99 ?
C1W H1WB . 0.99 ?
C2W H2WA . 0.99 ?
C2W H2WB . 0.99 ?
C1X C2X . 1.57(3) ?
C1X H1XA . 0.99 ?
C1X H1XB . 0.99 ?
C2X H2XA . 0.99 ?
C2X H2XB . 0.99 ?
C1Y C2Y . 1.56(3) ?
C1Y H1YA . 0.99 ?
C1Y H1YB . 0.99 ?
C2Y H2YA . 0.99 ?
C2Y H2YB . 0.99 ?
C1Z C2Z . 1.56(3) ?
C1Z H1ZA . 0.99 ?
C1Z H1ZB . 0.99 ?
C2Z H2ZA . 0.99 ?
C2Z H2ZB . 0.99 ?
C1A C2A . 1.39 ?
C1A C6A . 1.39 ?
C2A C3A . 1.39 ?
C2A H2A . 0.95 ?
C3A C4A . 1.39 ?
C3A H3A . 0.95 ?
C4A C5A . 1.39 ?
C4A H4A . 0.95 ?
C5A C6A . 1.39 ?
C5A H5A . 0.95 ?
C6A O6A . 1.337(18) ?
O6A C7A . 1.44(2) ?
C7A H7AA . 0.98 ?
C7A H7AB . 0.98 ?
C7A H7AC . 0.98 ?
C1B C2B . 1.39 ?
C1B C6B . 1.39 ?
C2B C3B . 1.39 ?
C2B H2B . 0.95 ?
C3B C4B . 1.39 ?
C3B H3B . 0.95 ?
C4B C5B . 1.39 ?
C4B H4B . 0.95 ?
C5B C6B . 1.39 ?
C5B H5B . 0.95 ?
C6B H6B . 0.95 ?
C1C C2C . 1.39 ?
C1C C6C . 1.39 ?
C2C C3C . 1.39 ?
C2C H2C . 0.95 ?
C3C C4C . 1.39 ?
C3C H3C . 0.95 ?
C4C C5C . 1.39 ?
C4C H4C . 0.95 ?
C5C C6C . 1.39 ?
C5C H5C . 0.95 ?
C6C O6C . 1.342(19) ?
O6C C7C . 1.45(2) ?
C7C H7CA . 0.98 ?
C7C H7CB . 0.98 ?
C7C H7CC . 0.98 ?
C1D C2D . 1.39 ?
C1D C6D . 1.39 ?
C2D C3D . 1.39 ?
C2D H2D . 0.95 ?
C3D C4D . 1.39 ?
C3D H3D . 0.95 ?
C4D C5D . 1.39 ?
C4D H4D . 0.95 ?
C5D C6D . 1.39 ?
C5D H5D . 0.95 ?
C6D H6D . 0.95 ?
C1E C2E . 1.39 ?
C1E C6E . 1.39 ?
C2E C3E . 1.39 ?
C2E H2E . 0.95 ?
C3E C4E . 1.39 ?
C3E H3E . 0.95 ?
C4E C5E . 1.39 ?
C4E H4E . 0.95 ?
C5E C6E . 1.39 ?
C5E H5E . 0.95 ?
C6E O6E . 1.33(2) ?
O6E C7E . 1.44(2) ?
C7E H7EA . 0.98 ?
C7E H7EB . 0.98 ?
C7E H7EC . 0.98 ?
C1F C2F . 1.39 ?
C1F C6F . 1.39 ?
C2F C3F . 1.39 ?
C2F H2F . 0.95 ?
C3F C4F . 1.39 ?
C3F H3F . 0.95 ?
C4F C5F . 1.39 ?
C4F H4F . 0.95 ?
C5F C6F . 1.39 ?
C5F H5F . 0.95 ?
C6F H6F . 0.95 ?
C1G C2G . 1.39 ?
C1G C6G . 1.39 ?
C2G C3G . 1.39 ?
C2G H2G . 0.95 ?
C3G C4G . 1.39 ?
C3G H3G . 0.95 ?
C4G C5G . 1.39 ?
C4G H4G . 0.95 ?
C5G C6G . 1.39 ?
C5G H5G . 0.95 ?
C6G O6G . 1.333(16) ?
O6G C7G . 1.46(2) ?
C7G H7GA . 0.98 ?
C7G H7GB . 0.98 ?
C7G H7GC . 0.98 ?
C1H C2H . 1.39 ?
C1H C6H . 1.39 ?
C2H C3H . 1.39 ?
C2H H2H . 0.95 ?
C3H C4H . 1.39 ?
C3H H3H . 0.95 ?
C4H C5H . 1.39 ?
C4H H4H . 0.95 ?
C5H C6H . 1.39 ?
C5H H5H . 0.95 ?
C6H H6H . 0.95 ?
C1I C2I . 1.39 ?
C1I C6I . 1.39 ?
C2I C3I . 1.39 ?
C2I H2I . 0.95 ?
C3I C4I . 1.39 ?
C3I H3I . 0.95 ?
C4I C5I . 1.39 ?
C4I H4I . 0.95 ?
C5I C6I . 1.39 ?
C5I H5I . 0.95 ?
C6I O6I . 1.34(2) ?
O6I C7I . 1.44(2) ?
C7I H7IA . 0.98 ?
C7I H7IB . 0.98 ?
C7I H7IC . 0.98 ?
C1J C2J . 1.39 ?
C1J C6J . 1.39 ?
C2J C3J . 1.39 ?
C2J H2J . 0.95 ?
C3J C4J . 1.39 ?
C3J H3J . 0.95 ?
C4J C5J . 1.39 ?
C4J H4J . 0.95 ?
C5J C6J . 1.39 ?
C5J H5J . 0.95 ?
C6J H6J . 0.95 ?
C1K C2K . 1.39 ?
C1K C6K . 1.39 ?
C2K C3K . 1.39 ?
C2K H2K . 0.95 ?
C3K C4K . 1.39 ?
C3K H3K . 0.95 ?
C4K C5K . 1.39 ?
C4K H4K . 0.95 ?
C5K C6K . 1.39 ?
C5K H5K . 0.95 ?
C6K O6K . 1.37(2) ?
O6K C7K . 1.45(2) ?
C7K H7KA . 0.98 ?
C7K H7KB . 0.98 ?
C7K H7KC . 0.98 ?
C1L C2L . 1.39 ?
C1L C6L . 1.39 ?
C2L C3L . 1.39 ?
C2L H2L . 0.95 ?
C3L C4L . 1.39 ?
C3L H3L . 0.95 ?
C4L C5L . 1.39 ?
C4L H4L . 0.95 ?
C5L C6L . 1.39 ?
C5L H5L . 0.95 ?
C6L H6L . 0.95 ?
C1M C2M . 1.39 ?
C1M C6M . 1.39 ?
C2M C3M . 1.39 ?
C2M H2M . 0.95 ?
C3M C4M . 1.39 ?
C3M H3M . 0.95 ?
C4M C5M . 1.39 ?
C4M H4M . 0.95 ?
C5M C6M . 1.39 ?
C5M H5M . 0.95 ?
C6M O6M . 1.349(19) ?
O6M C7M . 1.45(2) ?
C7M H7MA . 0.98 ?
C7M H7MB . 0.98 ?
C7M H7MC . 0.98 ?
C1N C2N . 1.39 ?
C1N C6N . 1.39 ?
C2N C3N . 1.39 ?
C2N H2N . 0.95 ?
C3N C4N . 1.39 ?
C3N H3N . 0.95 ?
C4N C5N . 1.39 ?
C4N H4N . 0.95 ?
C5N C6N . 1.39 ?
C5N H5N . 0.95 ?
C6N H6N . 0.95 ?
C1O C2O . 1.39 ?
C1O C6O . 1.39 ?
C2O C3O . 1.39 ?
C2O H2O . 0.95 ?
C3O C4O . 1.39 ?
C3O H3O . 0.95 ?
C4O C5O . 1.39 ?
C4O H4O . 0.95 ?
C5O C6O . 1.39 ?
C5O H5O . 0.95 ?
C6O O6O . 1.33(2) ?
O6O C7O . 1.45(2) ?
C7O H7OA . 0.98 ?
C7O H7OB . 0.98 ?
C7O H7OC . 0.98 ?
C1P C2P . 1.39 ?
C1P C6P . 1.39 ?
C2P C3P . 1.39 ?
C2P H2P . 0.95 ?
C3P C4P . 1.39 ?
C3P H3P . 0.95 ?
C4P C5P . 1.39 ?
C4P H4P . 0.95 ?
C5P C6P . 1.39 ?
C5P H5P . 0.95 ?
C6P H6P . 0.95 ?
C1Q C2Q . 1.39 ?
C1Q C6Q . 1.39 ?
C2Q C3Q . 1.39 ?
C2Q H2Q . 0.95 ?
C3Q C4Q . 1.39 ?
C3Q H3Q . 0.95 ?
C4Q C5Q . 1.39 ?
C4Q H4Q . 0.95 ?
C5Q C6Q . 1.39 ?
C5Q H5Q . 0.95 ?
C6Q O6Q . 1.333(19) ?
O6Q C7Q . 1.43(2) ?
C7Q H7QA . 0.98 ?
C7Q H7QB . 0.98 ?
C7Q H7QC . 0.98 ?
C1R C2R . 1.39 ?
C1R C6R . 1.39 ?
C2R C3R . 1.39 ?
C2R H2R . 0.95 ?
C3R C4R . 1.39 ?
C3R H3R . 0.95 ?
C4R C5R . 1.39 ?
C4R H4R . 0.95 ?
C5R C6R . 1.39 ?
C5R H5R . 0.95 ?
C6R H6R . 0.95 ?
C1S C2S . 1.39 ?
C1S C6S . 1.39 ?
C2S C3S . 1.39 ?
C2S H2S . 0.95 ?
C3S C4S . 1.39 ?
C3S H3S . 0.95 ?
C4S C5S . 1.39 ?
C4S H4S . 0.95 ?
C5S C6S . 1.39 ?
C5S H5S . 0.95 ?
C6S O6S . 1.343(19) ?
O6S C7S . 1.43(2) ?
C7S H7SA . 0.98 ?
C7S H7SB . 0.98 ?
C7S H7SC . 0.98 ?
C1T C2T . 1.39 ?
C1T C6T . 1.39 ?
C2T C3T . 1.39 ?
C2T H2T . 0.95 ?
C3T C4T . 1.39 ?
C3T H3T . 0.95 ?
C4T C5T . 1.39 ?
C4T H4T . 0.95 ?
C5T C6T . 1.39 ?
C5T H5T . 0.95 ?
C6T H6T . 0.95 ?
P1A F2A . 1.70(2) ?
P1A F5A . 1.71(2) ?
P1A F1A . 1.71(2) ?
P1A F6A . 1.72(2) ?
P1A F3A . 1.73(2) ?
P1A F4A . 1.73(2) ?
P1B F4B . 1.574(18) ?
P1B F5B . 1.58(2) ?
P1B F6B . 1.59(2) ?
P1B F3B . 1.586(19) ?
P1B F1B . 1.591(19) ?
P1B F2B . 1.596(18) ?
P1C F5C . 1.64(3) ?
P1C F4C . 1.65(3) ?
P1C F3C . 1.65(3) ?
P1C F2C . 1.65(3) ?
P1C F1C . 1.65(3) ?
P1C F6C . 1.67(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au1 Au12 . . 161.8(2) ?
P1 Au1 Au6 . . 104.4(2) ?
Au12 Au1 Au6 . . 59.37(4) ?
P1 Au1 Au7 . . 123.8(2) ?
Au12 Au1 Au7 . . 58.30(4) ?
Au6 Au1 Au7 . . 61.88(4) ?
P1 Au1 Au2 . . 139.8(2) ?
Au12 Au1 Au2 . . 58.22(4) ?
Au6 Au1 Au2 . . 109.03(5) ?
Au7 Au1 Au2 . . 58.80(4) ?
P1 Au1 Au5 . . 107.8(2) ?
Au12 Au1 Au5 . . 58.30(4) ?
Au6 Au1 Au5 . . 60.40(4) ?
Au7 Au1 Au5 . . 108.85(5) ?
Au2 Au1 Au5 . . 107.81(5) ?
P1 Au1 Au11 . . 129.7(2) ?
Au12 Au1 Au11 . . 56.26(4) ?
Au6 Au1 Au11 . . 107.22(5) ?
Au7 Au1 Au11 . . 105.47(5) ?
Au2 Au1 Au11 . . 58.98(4) ?
Au5 Au1 Au11 . . 59.32(4) ?
P2 Au2 Au12 . . 162.8(2) ?
P2 Au2 Au7 . . 105.7(2) ?
Au12 Au2 Au7 . . 58.84(4) ?
P2 Au2 Au11 . . 129.79(19) ?
Au12 Au2 Au11 . . 56.90(4) ?
Au7 Au2 Au11 . . 108.32(5) ?
P2 Au2 Au1 . . 109.1(2) ?
Au12 Au2 Au1 . . 58.06(4) ?
Au7 Au2 Au1 . . 60.44(4) ?
Au11 Au2 Au1 . . 60.96(4) ?
P2 Au2 Au8 . . 122.81(18) ?
Au12 Au2 Au8 . . 58.60(4) ?
Au7 Au2 Au8 . . 60.51(4) ?
Au11 Au2 Au8 . . 105.92(5) ?
Au1 Au2 Au8 . . 108.37(5) ?
P2 Au2 Au3 . . 138.3(2) ?
Au12 Au2 Au3 . . 58.55(4) ?
Au7 Au2 Au3 . . 107.70(5) ?
Au11 Au2 Au3 . . 59.45(4) ?
Au1 Au2 Au3 . . 108.80(5) ?
Au8 Au2 Au3 . . 58.29(4) ?
P3 Au3 Au12 . . 162.8(2) ?
P3 Au3 Au8 . . 105.3(2) ?
Au12 Au3 Au8 . . 59.07(4) ?
P3 Au3 Au11 . . 130.0(3) ?
Au12 Au3 Au11 . . 56.53(4) ?
Au8 Au3 Au11 . . 107.52(5) ?
P3 Au3 Au9 . . 123.4(3) ?
Au12 Au3 Au9 . . 57.79(4) ?
Au8 Au3 Au9 . . 60.94(4) ?
Au11 Au3 Au9 . . 105.29(5) ?
P3 Au3 Au4 . . 139.0(2) ?
Au12 Au3 Au4 . . 57.89(4) ?
Au8 Au3 Au4 . . 108.03(5) ?
Au11 Au3 Au4 . . 59.17(4) ?
Au9 Au3 Au4 . . 58.32(4) ?
P3 Au3 Au2 . . 109.8(2) ?
Au12 Au3 Au2 . . 57.56(4) ?
Au8 Au3 Au2 . . 60.49(4) ?
Au11 Au3 Au2 . . 59.27(4) ?
Au9 Au3 Au2 . . 107.65(5) ?
Au4 Au3 Au2 . . 107.10(5) ?
P4 Au4 Au12 . . 163.6(4) ?
P4 Au4 Au9 . . 104.9(4) ?
Au12 Au4 Au9 . . 58.72(4) ?
P4 Au4 Au11 . . 134.6(4) ?
Au12 Au4 Au11 . . 56.98(4) ?
Au9 Au4 Au11 . . 107.28(5) ?
P4 Au4 Au10 . . 116.4(4) ?
Au12 Au4 Au10 . . 59.00(4) ?
Au9 Au4 Au10 . . 61.43(4) ?
Au11 Au4 Au10 . . 106.91(5) ?
P4 Au4 Au3 . . 113.9(4) ?
Au12 Au4 Au3 . . 58.67(4) ?
Au9 Au4 Au3 . . 60.24(4) ?
Au11 Au4 Au3 . . 59.77(4) ?
Au10 Au4 Au3 . . 109.49(5) ?
P4 Au4 Au5 . . 135.5(4) ?
Au12 Au4 Au5 . . 57.91(4) ?
Au9 Au4 Au5 . . 107.78(5) ?
Au11 Au4 Au5 . . 59.85(4) ?
Au10 Au4 Au5 . . 58.62(4) ?
Au3 Au4 Au5 . . 108.31(5) ?
P5 Au5 Au12 . . 163.8(2) ?
P5 Au5 Au10 . . 105.6(2) ?
Au12 Au5 Au10 . . 59.56(4) ?
P5 Au5 Au11 . . 129.5(2) ?
Au12 Au5 Au11 . . 56.64(4) ?
Au10 Au5 Au11 . . 107.31(5) ?
P5 Au5 Au6 . . 122.2(2) ?
Au12 Au5 Au6 . . 58.65(4) ?
Au10 Au5 Au6 . . 61.11(4) ?
Au11 Au5 Au6 . . 107.00(5) ?
P5 Au5 Au1 . . 137.9(2) ?
Au12 Au5 Au1 . . 57.94(4) ?
Au10 Au5 Au1 . . 108.36(5) ?
Au11 Au5 Au1 . . 60.71(4) ?
Au6 Au5 Au1 . . 58.73(4) ?
P5 Au5 Au4 . . 110.3(2) ?
Au12 Au5 Au4 . . 57.93(4) ?
Au10 Au5 Au4 . . 60.12(4) ?
Au11 Au5 Au4 . . 58.84(4) ?
Au6 Au5 Au4 . . 108.18(5) ?
Au1 Au5 Au4 . . 107.96(5) ?
P6 Au6 Au12 . . 161.9(2) ?
P6 Au6 Au1 . . 105.3(2) ?
Au12 Au6 Au1 . . 58.57(4) ?
P6 Au6 Au13 . . 129.3(2) ?
Au12 Au6 Au13 . . 56.64(4) ?
Au1 Au6 Au13 . . 106.97(5) ?
P6 Au6 Au5 . . 123.8(2) ?
Au12 Au6 Au5 . . 58.23(4) ?
Au1 Au6 Au5 . . 60.88(4) ?
Au13 Au6 Au5 . . 105.98(5) ?
P6 Au6 Au10 . . 139.3(2) ?
Au12 Au6 Au10 . . 58.58(4) ?
Au1 Au6 Au10 . . 108.19(5) ?
Au13 Au6 Au10 . . 59.84(4) ?
Au5 Au6 Au10 . . 58.76(4) ?
P6 Au6 Au7 . . 108.7(2) ?
Au12 Au6 Au7 . . 57.38(4) ?
Au1 Au6 Au7 . . 59.88(4) ?
Au13 Au6 Au7 . . 59.22(4) ?
Au5 Au6 Au7 . . 107.67(5) ?
Au10 Au6 Au7 . . 107.73(5) ?
P7 Au7 Au12 . . 162.6(3) ?
P7 Au7 Au2 . . 104.8(3) ?
Au12 Au7 Au2 . . 58.89(4) ?
P7 Au7 Au13 . . 131.3(2) ?
Au12 Au7 Au13 . . 56.83(4) ?
Au2 Au7 Au13 . . 107.96(5) ?
P7 Au7 Au1 . . 121.6(2) ?
Au12 Au7 Au1 . . 58.18(4) ?
Au2 Au7 Au1 . . 60.76(4) ?
Au13 Au7 Au1 . . 105.64(5) ?
P7 Au7 Au8 . . 109.4(3) ?
Au12 Au7 Au8 . . 58.72(4) ?
Au2 Au7 Au8 . . 60.81(4) ?
Au13 Au7 Au8 . . 60.47(4) ?
Au1 Au7 Au8 . . 108.86(5) ?
P7 Au7 Au6 . . 138.6(3) ?
Au12 Au7 Au6 . . 58.02(4) ?
Au2 Au7 Au6 . . 107.69(5) ?
Au13 Au7 Au6 . . 59.19(4) ?
Au1 Au7 Au6 . . 58.24(4) ?
Au8 Au7 Au6 . . 108.50(5) ?
P8 Au8 Au12 . . 160.9(3) ?
P8 Au8 Au3 . . 104.0(3) ?
Au12 Au8 Au3 . . 59.37(4) ?
P8 Au8 Au7 . . 141.0(3) ?
Au12 Au8 Au7 . . 57.97(4) ?
Au3 Au8 Au7 . . 108.60(5) ?
P8 Au8 Au9 . . 107.3(2) ?
Au12 Au8 Au9 . . 57.61(4) ?
Au3 Au8 Au9 . . 60.16(4) ?
Au7 Au8 Au9 . . 107.23(5) ?
P8 Au8 Au2 . . 124.8(2) ?
Au12 Au8 Au2 . . 57.90(4) ?
Au3 Au8 Au2 . . 61.22(4) ?
Au7 Au8 Au2 . . 58.68(4) ?
Au9 Au8 Au2 . . 107.61(5) ?
P8 Au8 Au13 . . 129.0(2) ?
Au12 Au8 Au13 . . 56.26(4) ?
Au3 Au8 Au13 . . 107.11(5) ?
Au7 Au8 Au13 . . 59.47(4) ?
Au9 Au8 Au13 . . 58.86(4) ?
Au2 Au8 Au13 . . 105.53(5) ?
P9 Au9 Au12 . . 164.7(3) ?
P9 Au9 Au4 . . 106.0(3) ?
Au12 Au9 Au4 . . 59.48(4) ?
P9 Au9 Au13 . . 130.3(3) ?
Au12 Au9 Au13 . . 57.28(4) ?
Au4 Au9 Au13 . . 108.23(5) ?
P9 Au9 Au3 . . 120.2(3) ?
Au12 Au9 Au3 . . 59.32(4) ?
Au4 Au9 Au3 . . 61.44(4) ?
Au13 Au9 Au3 . . 107.60(5) ?
P9 Au9 Au8 . . 135.6(3) ?
Au12 Au9 Au8 . . 58.84(4) ?
Au4 Au9 Au8 . . 108.90(5) ?
Au13 Au9 Au8 . . 60.73(5) ?
Au3 Au9 Au8 . . 58.90(4) ?
P9 Au9 Au10 . . 111.1(3) ?
Au12 Au9 Au10 . . 58.92(4) ?
Au4 Au9 Au10 . . 60.55(4) ?
Au13 Au9 Au10 . . 60.10(4) ?
Au3 Au9 Au10 . . 109.73(5) ?
Au8 Au9 Au10 . . 109.63(5) ?
P10 Au10 Au12 . . 161.8(2) ?
P10 Au10 Au5 . . 104.9(2) ?
Au12 Au10 Au5 . . 58.53(4) ?
P10 Au10 Au13 . . 130.7(2) ?
Au12 Au10 Au13 . . 56.31(4) ?
Au5 Au10 Au13 . . 106.71(5) ?
P10 Au10 Au4 . . 123.1(2) ?
Au12 Au10 Au4 . . 58.02(4) ?
Au5 Au10 Au4 . . 61.26(4) ?
Au13 Au10 Au4 . . 105.19(5) ?
P10 Au10 Au6 . . 108.7(2) ?
Au12 Au10 Au6 . . 58.00(4) ?
Au5 Au10 Au6 . . 60.13(4) ?
Au13 Au10 Au6 . . 59.39(4) ?
Au4 Au10 Au6 . . 108.31(5) ?
P10 Au10 Au9 . . 140.5(2) ?
Au12 Au10 Au9 . . 57.22(4) ?
Au5 Au10 Au9 . . 107.16(5) ?
Au13 Au10 Au9 . . 58.82(4) ?
Au4 Au10 Au9 . . 58.02(4) ?
Au6 Au10 Au9 . . 106.91(5) ?
Cl1 Au11 Au12 . . 178.7(3) ?
Cl1 Au11 Au4 . . 119.4(3) ?
Au12 Au11 Au4 . . 59.64(4) ?
Cl1 Au11 Au2 . . 121.0(2) ?
Au12 Au11 Au2 . . 59.32(4) ?
Au4 Au11 Au2 . . 110.20(5) ?
Cl1 Au11 Au3 . . 118.9(3) ?
Au12 Au11 Au3 . . 59.96(4) ?
Au4 Au11 Au3 . . 61.06(4) ?
Au2 Au11 Au3 . . 61.27(4) ?
Cl1 Au11 Au5 . . 121.3(2) ?
Au12 Au11 Au5 . . 59.23(4) ?
Au4 Au11 Au5 . . 61.31(4) ?
Au2 Au11 Au5 . . 109.21(5) ?
Au3 Au11 Au5 . . 110.51(5) ?
Cl1 Au11 Au1 . . 122.9(3) ?
Au12 Au11 Au1 . . 58.45(4) ?
Au4 Au11 Au1 . . 109.32(5) ?
Au2 Au11 Au1 . . 60.06(4) ?
Au3 Au11 Au1 . . 109.53(5) ?
Au5 Au11 Au1 . . 59.96(4) ?
Au11 Au12 Au13 . . 178.77(6) ?
Au11 Au12 Au9 . . 115.22(6) ?
Au13 Au12 Au9 . . 63.60(5) ?
Au11 Au12 Au1 . . 65.30(4) ?
Au13 Au12 Au1 . . 115.87(5) ?
Au9 Au12 Au1 . . 178.93(6) ?
Au11 Au12 Au7 . . 117.10(5) ?
Au13 Au12 Au7 . . 64.05(4) ?
Au9 Au12 Au7 . . 116.64(5) ?
Au1 Au12 Au7 . . 63.51(4) ?
Au11 Au12 Au2 . . 63.78(4) ?
Au13 Au12 Au2 . . 116.93(5) ?
Au9 Au12 Au2 . . 117.33(5) ?
Au1 Au12 Au2 . . 63.72(4) ?
Au7 Au12 Au2 . . 62.27(4) ?
Au11 Au12 Au5 . . 64.13(4) ?
Au13 Au12 Au5 . . 115.89(5) ?
Au9 Au12 Au5 . . 115.52(5) ?
Au1 Au12 Au5 . . 63.75(4) ?
Au7 Au12 Au5 . . 117.84(5) ?
Au2 Au12 Au5 . . 116.87(5) ?
Au11 Au12 Au4 . . 63.38(4) ?
Au13 Au12 Au4 . . 115.46(5) ?
Au9 Au12 Au4 . . 61.81(5) ?
Au1 Au12 Au4 . . 118.07(5) ?
Au7 Au12 Au4 . . 177.99(6) ?
Au2 Au12 Au4 . . 117.01(5) ?
Au5 Au12 Au4 . . 64.16(4) ?
Au11 Au12 Au6 . . 116.98(5) ?
Au13 Au12 Au6 . . 63.76(4) ?
Au9 Au12 Au6 . . 116.97(5) ?
Au1 Au12 Au6 . . 62.06(4) ?
Au7 Au12 Au6 . . 64.60(4) ?
Au2 Au12 Au6 . . 115.87(5) ?
Au5 Au12 Au6 . . 63.12(4) ?
Au4 Au12 Au6 . . 117.09(5) ?
Au11 Au12 Au8 . . 115.49(5) ?
Au13 Au12 Au8 . . 64.46(4) ?
Au9 Au12 Au8 . . 63.55(4) ?
Au1 Au12 Au8 . . 117.19(5) ?
Au7 Au12 Au8 . . 63.31(4) ?
Au2 Au12 Au8 . . 63.50(4) ?
Au5 Au12 Au8 . . 178.85(6) ?
Au4 Au12 Au8 . . 114.69(6) ?
Au6 Au12 Au8 . . 117.82(5) ?
Au11 Au12 Au3 . . 63.51(4) ?
Au13 Au12 Au3 . . 115.76(6) ?
Au9 Au12 Au3 . . 62.89(4) ?
Au1 Au12 Au3 . . 118.09(5) ?
Au7 Au12 Au3 . . 114.86(5) ?
Au2 Au12 Au3 . . 63.90(4) ?
Au5 Au12 Au3 . . 117.51(5) ?
Au4 Au12 Au3 . . 63.44(4) ?
Au6 Au12 Au3 . . 179.37(6) ?
Au8 Au12 Au3 . . 61.55(5) ?
Au11 Au12 Au10 . . 115.46(5) ?
Au13 Au12 Au10 . . 63.85(4) ?
Au9 Au12 Au10 . . 63.86(4) ?
Au1 Au12 Au10 . . 115.09(5) ?
Au7 Au12 Au10 . . 117.79(5) ?
Au2 Au12 Au10 . . 178.73(6) ?
Au5 Au12 Au10 . . 61.91(4) ?
Au4 Au12 Au10 . . 62.98(4) ?
Au6 Au12 Au10 . . 63.42(4) ?
Au8 Au12 Au10 . . 117.73(5) ?
Au3 Au12 Au10 . . 116.83(5) ?
Cl2 Au13 Au12 . . 179.5(3) ?
Cl2 Au13 Au9 . . 121.1(3) ?
Au12 Au13 Au9 . . 59.12(4) ?
Cl2 Au13 Au6 . . 120.0(3) ?
Au12 Au13 Au6 . . 59.60(4) ?
Au9 Au13 Au6 . . 109.83(5) ?
Cl2 Au13 Au7 . . 121.0(3) ?
Au12 Au13 Au7 . . 59.13(4) ?
Au9 Au13 Au7 . . 108.95(5) ?
Au6 Au13 Au7 . . 61.59(4) ?
Cl2 Au13 Au10 . . 119.8(2) ?
Au12 Au13 Au10 . . 59.84(4) ?
Au9 Au13 Au10 . . 61.08(4) ?
Au6 Au13 Au10 . . 60.77(4) ?
Au7 Au13 Au10 . . 110.37(5) ?
Cl2 Au13 Au8 . . 121.2(3) ?
Au12 Au13 Au8 . . 59.28(4) ?
Au9 Au13 Au8 . . 60.41(4) ?
Au6 Au13 Au8 . . 110.09(5) ?
Au7 Au13 Au8 . . 60.06(4) ?
Au10 Au13 Au8 . . 110.16(5) ?
C1B P1 C1A . . 105.4(11) ?
C1B P1 C1V . . 106.2(13) ?
C1A P1 C1V . . 105.3(12) ?
C1B P1 Au1 . . 118.0(7) ?
C1A P1 Au1 . . 111.2(7) ?
C1V P1 Au1 . . 109.9(11) ?
C1D P2 C1C . . 107.0(11) ?
C1D P2 C1W . . 106.9(13) ?
C1C P2 C1W . . 106.4(11) ?
C1D P2 Au2 . . 117.3(8) ?
C1C P2 Au2 . . 112.4(7) ?
C1W P2 Au2 . . 106.1(10) ?
C1F P3 C1X . . 107.3(15) ?
C1F P3 C1E . . 104.3(14) ?
C1X P3 C1E . . 108.5(13) ?
C1F P3 Au3 . . 119.6(10) ?
C1X P3 Au3 . . 105.0(11) ?
C1E P3 Au3 . . 111.6(9) ?
C1Y P4 C1H . . 123.(2) ?
C1Y P4 C1G . . 96.2(19) ?
C1H P4 C1G . . 108.6(19) ?
C1Y P4 Au4 . . 108.5(18) ?
C1H P4 Au4 . . 113.1(14) ?
C1G P4 Au4 . . 104.9(9) ?
C1Z P5 C1J . . 103.9(14) ?
C1Z P5 C1I . . 108.4(12) ?
C1J P5 C1I . . 103.3(12) ?
C1Z P5 Au5 . . 108.5(11) ?
C1J P5 Au5 . . 120.0(10) ?
C1I P5 Au5 . . 111.9(8) ?
C1L P6 C1K . . 104.7(12) ?
C1L P6 C2V . . 108.3(14) ?
C1K P6 C2V . . 108.1(13) ?
C1L P6 Au6 . . 120.2(9) ?
C1K P6 Au6 . . 110.7(9) ?
C2V P6 Au6 . . 104.3(11) ?
C1N P7 C2W . . 102.3(16) ?
C1N P7 C1M . . 107.7(13) ?
C2W P7 C1M . . 107.5(11) ?
C1N P7 Au7 . . 119.3(11) ?
C2W P7 Au7 . . 107.8(10) ?
C1M P7 Au7 . . 111.3(7) ?
C2X P8 C1P . . 109.3(14) ?
C2X P8 C1O . . 111.1(13) ?
C1P P8 C1O . . 102.6(13) ?
C2X P8 Au8 . . 106.5(9) ?
C1P P8 Au8 . . 116.3(9) ?
C1O P8 Au8 . . 111.1(10) ?
C1R P9 C1Q . . 104.5(15) ?
C1R P9 C2Y . . 115.(2) ?
C1Q P9 C2Y . . 98.1(17) ?
C1R P9 Au9 . . 119.0(12) ?
C1Q P9 Au9 . . 110.5(9) ?
C2Y P9 Au9 . . 107.4(16) ?
C1T P10 C1S . . 105.3(11) ?
C1T P10 C2Z . . 106.6(13) ?
C1S P10 C2Z . . 105.4(12) ?
C1T P10 Au10 . . 121.4(9) ?
C1S P10 Au10 . . 111.2(7) ?
C2Z P10 Au10 . . 105.9(9) ?
C2V C1V P1 . . 108.3(19) ?
C2V C1V H1VA . . 110.0 ?
P1 C1V H1VA . . 110.0 ?
C2V C1V H1VB . . 110.0 ?
P1 C1V H1VB . . 110.0 ?
H1VA C1V H1VB . . 108.4 ?
C1V C2V P6 . . 116.1(19) ?
C1V C2V H2VA . . 108.3 ?
P6 C2V H2VA . . 108.3 ?
C1V C2V H2VB . . 108.3 ?
P6 C2V H2VB . . 108.3 ?
H2VA C2V H2VB . . 107.4 ?
C2W C1W P2 . . 111.8(18) ?
C2W C1W H1WA . . 109.3 ?
P2 C1W H1WA . . 109.3 ?
C2W C1W H1WB . . 109.3 ?
P2 C1W H1WB . . 109.3 ?
H1WA C1W H1WB . . 107.9 ?
C1W C2W P7 . . 114.1(18) ?
C1W C2W H2WA . . 108.7 ?
P7 C2W H2WA . . 108.7 ?
C1W C2W H2WB . . 108.7 ?
P7 C2W H2WB . . 108.7 ?
H2WA C2W H2WB . . 107.6 ?
C2X C1X P3 . . 109.8(18) ?
C2X C1X H1XA . . 109.7 ?
P3 C1X H1XA . . 109.7 ?
C2X C1X H1XB . . 109.7 ?
P3 C1X H1XB . . 109.7 ?
H1XA C1X H1XB . . 108.2 ?
C1X C2X P8 . . 109.1(18) ?
C1X C2X H2XA . . 109.9 ?
P8 C2X H2XA . . 109.9 ?
C1X C2X H2XB . . 109.9 ?
P8 C2X H2XB . . 109.9 ?
H2XA C2X H2XB . . 108.3 ?
C2Y C1Y P4 . . 110.(3) ?
C2Y C1Y H1YA . . 109.7 ?
P4 C1Y H1YA . . 109.7 ?
C2Y C1Y H1YB . . 109.7 ?
P4 C1Y H1YB . . 109.7 ?
H1YA C1Y H1YB . . 108.2 ?
C1Y C2Y P9 . . 117.(3) ?
C1Y C2Y H2YA . . 108.1 ?
P9 C2Y H2YA . . 108.1 ?
C1Y C2Y H2YB . . 108.1 ?
P9 C2Y H2YB . . 108.1 ?
H2YA C2Y H2YB . . 107.3 ?
C2Z C1Z P5 . . 111.9(17) ?
C2Z C1Z H1ZA . . 109.2 ?
P5 C1Z H1ZA . . 109.2 ?
C2Z C1Z H1ZB . . 109.2 ?
P5 C1Z H1ZB . . 109.2 ?
H1ZA C1Z H1ZB . . 107.9 ?
C1Z C2Z P10 . . 115.4(19) ?
C1Z C2Z H2ZA . . 108.4 ?
P10 C2Z H2ZA . . 108.4 ?
C1Z C2Z H2ZB . . 108.4 ?
P10 C2Z H2ZB . . 108.4 ?
H2ZA C2Z H2ZB . . 107.5 ?
C2A C1A C6A . . 120.0 ?
C2A C1A P1 . . 113.9(12) ?
C6A C1A P1 . . 126.1(12) ?
C3A C2A C1A . . 120.0 ?
C3A C2A H2A . . 120.0 ?
C1A C2A H2A . . 120.0 ?
C2A C3A C4A . . 120.0 ?
C2A C3A H3A . . 120.0 ?
C4A C3A H3A . . 120.0 ?
C5A C4A C3A . . 120.0 ?
C5A C4A H4A . . 120.0 ?
C3A C4A H4A . . 120.0 ?
C4A C5A C6A . . 120.0 ?
C4A C5A H5A . . 120.0 ?
C6A C5A H5A . . 120.0 ?
O6A C6A C5A . . 124.3(15) ?
O6A C6A C1A . . 115.7(15) ?
C5A C6A C1A . . 120.0 ?
C6A O6A C7A . . 118.6(19) ?
O6A C7A H7AA . . 109.5 ?
O6A C7A H7AB . . 109.5 ?
H7AA C7A H7AB . . 109.5 ?
O6A C7A H7AC . . 109.5 ?
H7AA C7A H7AC . . 109.5 ?
H7AB C7A H7AC . . 109.5 ?
C2B C1B C6B . . 120.0 ?
C2B C1B P1 . . 117.1(12) ?
C6B C1B P1 . . 122.9(12) ?
C1B C2B C3B . . 120.0 ?
C1B C2B H2B . . 120.0 ?
C3B C2B H2B . . 120.0 ?
C4B C3B C2B . . 120.0 ?
C4B C3B H3B . . 120.0 ?
C2B C3B H3B . . 120.0 ?
C5B C4B C3B . . 120.0 ?
C5B C4B H4B . . 120.0 ?
C3B C4B H4B . . 120.0 ?
C4B C5B C6B . . 120.0 ?
C4B C5B H5B . . 120.0 ?
C6B C5B H5B . . 120.0 ?
C5B C6B C1B . . 120.0 ?
C5B C6B H6B . . 120.0 ?
C1B C6B H6B . . 120.0 ?
C2C C1C C6C . . 120.0 ?
C2C C1C P2 . . 116.8(11) ?
C6C C1C P2 . . 123.2(11) ?
C1C C2C C3C . . 120.0 ?
C1C C2C H2C . . 120.0 ?
C3C C2C H2C . . 120.0 ?
C2C C3C C4C . . 120.0 ?
C2C C3C H3C . . 120.0 ?
C4C C3C H3C . . 120.0 ?
C5C C4C C3C . . 120.0 ?
C5C C4C H4C . . 120.0 ?
C3C C4C H4C . . 120.0 ?
C4C C5C C6C . . 120.0 ?
C4C C5C H5C . . 120.0 ?
C6C C5C H5C . . 120.0 ?
O6C C6C C5C . . 123.7(16) ?
O6C C6C C1C . . 116.3(16) ?
C5C C6C C1C . . 120.0 ?
C6C O6C C7C . . 116.(2) ?
O6C C7C H7CA . . 109.5 ?
O6C C7C H7CB . . 109.5 ?
H7CA C7C H7CB . . 109.5 ?
O6C C7C H7CC . . 109.5 ?
H7CA C7C H7CC . . 109.5 ?
H7CB C7C H7CC . . 109.5 ?
C2D C1D C6D . . 120.0 ?
C2D C1D P2 . . 115.1(14) ?
C6D C1D P2 . . 124.8(14) ?
C1D C2D C3D . . 120.0 ?
C1D C2D H2D . . 120.0 ?
C3D C2D H2D . . 120.0 ?
C2D C3D C4D . . 120.0 ?
C2D C3D H3D . . 120.0 ?
C4D C3D H3D . . 120.0 ?
C5D C4D C3D . . 120.0 ?
C5D C4D H4D . . 120.0 ?
C3D C4D H4D . . 120.0 ?
C4D C5D C6D . . 120.0 ?
C4D C5D H5D . . 120.0 ?
C6D C5D H5D . . 120.0 ?
C5D C6D C1D . . 120.0 ?
C5D C6D H6D . . 120.0 ?
C1D C6D H6D . . 120.0 ?
C2E C1E C6E . . 120.0 ?
C2E C1E P3 . . 115.5(16) ?
C6E C1E P3 . . 124.5(16) ?
C3E C2E C1E . . 120.0 ?
C3E C2E H2E . . 120.0 ?
C1E C2E H2E . . 120.0 ?
C4E C3E C2E . . 120.0 ?
C4E C3E H3E . . 120.0 ?
C2E C3E H3E . . 120.0 ?
C3E C4E C5E . . 120.0 ?
C3E C4E H4E . . 120.0 ?
C5E C4E H4E . . 120.0 ?
C4E C5E C6E . . 120.0 ?
C4E C5E H5E . . 120.0 ?
C6E C5E H5E . . 120.0 ?
O6E C6E C5E . . 125.(2) ?
O6E C6E C1E . . 114.(2) ?
C5E C6E C1E . . 120.0 ?
C6E O6E C7E . . 118.(2) ?
O6E C7E H7EA . . 109.5 ?
O6E C7E H7EB . . 109.5 ?
H7EA C7E H7EB . . 109.5 ?
O6E C7E H7EC . . 109.5 ?
H7EA C7E H7EC . . 109.5 ?
H7EB C7E H7EC . . 109.5 ?
C2F C1F C6F . . 120.0 ?
C2F C1F P3 . . 117.5(16) ?
C6F C1F P3 . . 122.5(16) ?
C1F C2F C3F . . 120.0 ?
C1F C2F H2F . . 120.0 ?
C3F C2F H2F . . 120.0 ?
C4F C3F C2F . . 120.0 ?
C4F C3F H3F . . 120.0 ?
C2F C3F H3F . . 120.0 ?
C3F C4F C5F . . 120.0 ?
C3F C4F H4F . . 120.0 ?
C5F C4F H4F . . 120.0 ?
C6F C5F C4F . . 120.0 ?
C6F C5F H5F . . 120.0 ?
C4F C5F H5F . . 120.0 ?
C5F C6F C1F . . 120.0 ?
C5F C6F H6F . . 120.0 ?
C1F C6F H6F . . 120.0 ?
C2G C1G C6G . . 120.0 ?
C2G C1G P4 . . 120.5(11) ?
C6G C1G P4 . . 119.4(11) ?
C1G C2G C3G . . 120.0 ?
C1G C2G H2G . . 120.0 ?
C3G C2G H2G . . 120.0 ?
C4G C3G C2G . . 120.0 ?
C4G C3G H3G . . 120.0 ?
C2G C3G H3G . . 120.0 ?
C5G C4G C3G . . 120.0 ?
C5G C4G H4G . . 120.0 ?
C3G C4G H4G . . 120.0 ?
C4G C5G C6G . . 120.0 ?
C4G C5G H5G . . 120.0 ?
C6G C5G H5G . . 120.0 ?
O6G C6G C5G . . 120.7(13) ?
O6G C6G C1G . . 119.0(13) ?
C5G C6G C1G . . 120.0 ?
C6G O6G C7G . . 115.(2) ?
O6G C7G H7GA . . 109.5 ?
O6G C7G H7GB . . 109.5 ?
H7GA C7G H7GB . . 109.5 ?
O6G C7G H7GC . . 109.5 ?
H7GA C7G H7GC . . 109.5 ?
H7GB C7G H7GC . . 109.5 ?
C2H C1H C6H . . 120.0 ?
C2H C1H P4 . . 106.(3) ?
C6H C1H P4 . . 134.(3) ?
C1H C2H C3H . . 120.0 ?
C1H C2H H2H . . 120.0 ?
C3H C2H H2H . . 120.0 ?
C4H C3H C2H . . 120.0 ?
C4H C3H H3H . . 120.0 ?
C2H C3H H3H . . 120.0 ?
C3H C4H C5H . . 120.0 ?
C3H C4H H4H . . 120.0 ?
C5H C4H H4H . . 120.0 ?
C4H C5H C6H . . 120.0 ?
C4H C5H H5H . . 120.0 ?
C6H C5H H5H . . 120.0 ?
C5H C6H C1H . . 120.0 ?
C5H C6H H6H . . 120.0 ?
C1H C6H H6H . . 120.0 ?
C2I C1I C6I . . 120.0 ?
C2I C1I P5 . . 118.0(14) ?
C6I C1I P5 . . 122.0(14) ?
C1I C2I C3I . . 120.0 ?
C1I C2I H2I . . 120.0 ?
C3I C2I H2I . . 120.0 ?
C4I C3I C2I . . 120.0 ?
C4I C3I H3I . . 120.0 ?
C2I C3I H3I . . 120.0 ?
C5I C4I C3I . . 120.0 ?
C5I C4I H4I . . 120.0 ?
C3I C4I H4I . . 120.0 ?
C4I C5I C6I . . 120.0 ?
C4I C5I H5I . . 120.0 ?
C6I C5I H5I . . 120.0 ?
O6I C6I C5I . . 125.3(19) ?
O6I C6I C1I . . 114.5(19) ?
C5I C6I C1I . . 120.0 ?
C6I O6I C7I . . 119.(2) ?
O6I C7I H7IA . . 109.5 ?
O6I C7I H7IB . . 109.5 ?
H7IA C7I H7IB . . 109.5 ?
O6I C7I H7IC . . 109.5 ?
H7IA C7I H7IC . . 109.5 ?
H7IB C7I H7IC . . 109.5 ?
C2J C1J C6J . . 120.0 ?
C2J C1J P5 . . 113.6(17) ?
C6J C1J P5 . . 125.9(17) ?
C1J C2J C3J . . 120.0 ?
C1J C2J H2J . . 120.0 ?
C3J C2J H2J . . 120.0 ?
C4J C3J C2J . . 120.0 ?
C4J C3J H3J . . 120.0 ?
C2J C3J H3J . . 120.0 ?
C3J C4J C5J . . 120.0 ?
C3J C4J H4J . . 120.0 ?
C5J C4J H4J . . 120.0 ?
C6J C5J C4J . . 120.0 ?
C6J C5J H5J . . 120.0 ?
C4J C5J H5J . . 120.0 ?
C5J C6J C1J . . 120.0 ?
C5J C6J H6J . . 120.0 ?
C1J C6J H6J . . 120.0 ?
C2K C1K C6K . . 120.0 ?
C2K C1K P6 . . 117.9(14) ?
C6K C1K P6 . . 121.8(14) ?
C3K C2K C1K . . 120.0 ?
C3K C2K H2K . . 120.0 ?
C1K C2K H2K . . 120.0 ?
C2K C3K C4K . . 120.0 ?
C2K C3K H3K . . 120.0 ?
C4K C3K H3K . . 120.0 ?
C3K C4K C5K . . 120.0 ?
C3K C4K H4K . . 120.0 ?
C5K C4K H4K . . 120.0 ?
C6K C5K C4K . . 120.0 ?
C6K C5K H5K . . 120.0 ?
C4K C5K H5K . . 120.0 ?
O6K C6K C5K . . 125.3(19) ?
O6K C6K C1K . . 114.0(19) ?
C5K C6K C1K . . 120.0 ?
C6K O6K C7K . . 116.(2) ?
O6K C7K H7KA . . 109.5 ?
O6K C7K H7KB . . 109.5 ?
H7KA C7K H7KB . . 109.5 ?
O6K C7K H7KC . . 109.5 ?
H7KA C7K H7KC . . 109.5 ?
H7KB C7K H7KC . . 109.5 ?
C2L C1L C6L . . 120.0 ?
C2L C1L P6 . . 118.3(15) ?
C6L C1L P6 . . 121.7(15) ?
C1L C2L C3L . . 120.0 ?
C1L C2L H2L . . 120.0 ?
C3L C2L H2L . . 120.0 ?
C4L C3L C2L . . 120.0 ?
C4L C3L H3L . . 120.0 ?
C2L C3L H3L . . 120.0 ?
C3L C4L C5L . . 120.0 ?
C3L C4L H4L . . 120.0 ?
C5L C4L H4L . . 120.0 ?
C6L C5L C4L . . 120.0 ?
C6L C5L H5L . . 120.0 ?
C4L C5L H5L . . 120.0 ?
C5L C6L C1L . . 120.0 ?
C5L C6L H6L . . 120.0 ?
C1L C6L H6L . . 120.0 ?
C2M C1M C6M . . 120.0 ?
C2M C1M P7 . . 118.5(11) ?
C6M C1M P7 . . 120.9(12) ?
C1M C2M C3M . . 120.0 ?
C1M C2M H2M . . 120.0 ?
C3M C2M H2M . . 120.0 ?
C4M C3M C2M . . 120.0 ?
C4M C3M H3M . . 120.0 ?
C2M C3M H3M . . 120.0 ?
C3M C4M C5M . . 120.0 ?
C3M C4M H4M . . 120.0 ?
C5M C4M H4M . . 120.0 ?
C4M C5M C6M . . 120.0 ?
C4M C5M H5M . . 120.0 ?
C6M C5M H5M . . 120.0 ?
O6M C6M C5M . . 122.9(16) ?
O6M C6M C1M . . 117.1(16) ?
C5M C6M C1M . . 120.0 ?
C6M O6M C7M . . 117.(2) ?
O6M C7M H7MA . . 109.5 ?
O6M C7M H7MB . . 109.5 ?
H7MA C7M H7MB . . 109.5 ?
O6M C7M H7MC . . 109.5 ?
H7MA C7M H7MC . . 109.5 ?
H7MB C7M H7MC . . 109.5 ?
C2N C1N C6N . . 120.0 ?
C2N C1N P7 . . 116.(2) ?
C6N C1N P7 . . 124.(2) ?
C3N C2N C1N . . 120.0 ?
C3N C2N H2N . . 120.0 ?
C1N C2N H2N . . 120.0 ?
C2N C3N C4N . . 120.0 ?
C2N C3N H3N . . 120.0 ?
C4N C3N H3N . . 120.0 ?
C5N C4N C3N . . 120.0 ?
C5N C4N H4N . . 120.0 ?
C3N C4N H4N . . 120.0 ?
C4N C5N C6N . . 120.0 ?
C4N C5N H5N . . 120.0 ?
C6N C5N H5N . . 120.0 ?
C5N C6N C1N . . 120.0 ?
C5N C6N H6N . . 120.0 ?
C1N C6N H6N . . 120.0 ?
C2O C1O C6O . . 120.0 ?
C2O C1O P8 . . 117.5(16) ?
C6O C1O P8 . . 122.4(16) ?
C3O C2O C1O . . 120.0 ?
C3O C2O H2O . . 120.0 ?
C1O C2O H2O . . 120.0 ?
C2O C3O C4O . . 120.0 ?
C2O C3O H3O . . 120.0 ?
C4O C3O H3O . . 120.0 ?
C3O C4O C5O . . 120.0 ?
C3O C4O H4O . . 120.0 ?
C5O C4O H4O . . 120.0 ?
C6O C5O C4O . . 120.0 ?
C6O C5O H5O . . 120.0 ?
C4O C5O H5O . . 120.0 ?
O6O C6O C5O . . 122.(2) ?
O6O C6O C1O . . 118.(2) ?
C5O C6O C1O . . 120.0 ?
C6O O6O C7O . . 119.(2) ?
O6O C7O H7OA . . 109.5 ?
O6O C7O H7OB . . 109.5 ?
H7OA C7O H7OB . . 109.5 ?
O6O C7O H7OC . . 109.5 ?
H7OA C7O H7OC . . 109.5 ?
H7OB C7O H7OC . . 109.5 ?
C2P C1P C6P . . 120.0 ?
C2P C1P P8 . . 120.3(15) ?
C6P C1P P8 . . 119.7(15) ?
C3P C2P C1P . . 120.0 ?
C3P C2P H2P . . 120.0 ?
C1P C2P H2P . . 120.0 ?
C2P C3P C4P . . 120.0 ?
C2P C3P H3P . . 120.0 ?
C4P C3P H3P . . 120.0 ?
C3P C4P C5P . . 120.0 ?
C3P C4P H4P . . 120.0 ?
C5P C4P H4P . . 120.0 ?
C4P C5P C6P . . 120.0 ?
C4P C5P H5P . . 120.0 ?
C6P C5P H5P . . 120.0 ?
C5P C6P C1P . . 120.0 ?
C5P C6P H6P . . 120.0 ?
C1P C6P H6P . . 120.0 ?
C2Q C1Q C6Q . . 120.0 ?
C2Q C1Q P9 . . 119.3(13) ?
C6Q C1Q P9 . . 120.7(13) ?
C3Q C2Q C1Q . . 120.0 ?
C3Q C2Q H2Q . . 120.0 ?
C1Q C2Q H2Q . . 120.0 ?
C2Q C3Q C4Q . . 120.0 ?
C2Q C3Q H3Q . . 120.0 ?
C4Q C3Q H3Q . . 120.0 ?
C3Q C4Q C5Q . . 120.0 ?
C3Q C4Q H4Q . . 120.0 ?
C5Q C4Q H4Q . . 120.0 ?
C6Q C5Q C4Q . . 120.0 ?
C6Q C5Q H5Q . . 120.0 ?
C4Q C5Q H5Q . . 120.0 ?
O6Q C6Q C5Q . . 121.0(18) ?
O6Q C6Q C1Q . . 119.0(18) ?
C5Q C6Q C1Q . . 120.0 ?
C6Q O6Q C7Q . . 119.(2) ?
O6Q C7Q H7QA . . 109.5 ?
O6Q C7Q H7QB . . 109.5 ?
H7QA C7Q H7QB . . 109.5 ?
O6Q C7Q H7QC . . 109.5 ?
H7QA C7Q H7QC . . 109.5 ?
H7QB C7Q H7QC . . 109.5 ?
C2R C1R C6R . . 120.0 ?
C2R C1R P9 . . 113.(2) ?
C6R C1R P9 . . 127.(2) ?
C3R C2R C1R . . 120.0 ?
C3R C2R H2R . . 120.0 ?
C1R C2R H2R . . 120.0 ?
C2R C3R C4R . . 120.0 ?
C2R C3R H3R . . 120.0 ?
C4R C3R H3R . . 120.0 ?
C5R C4R C3R . . 120.0 ?
C5R C4R H4R . . 120.0 ?
C3R C4R H4R . . 120.0 ?
C6R C5R C4R . . 120.0 ?
C6R C5R H5R . . 120.0 ?
C4R C5R H5R . . 120.0 ?
C5R C6R C1R . . 120.0 ?
C5R C6R H6R . . 120.0 ?
C1R C6R H6R . . 120.0 ?
C2S C1S C6S . . 120.0 ?
C2S C1S P10 . . 118.3(12) ?
C6S C1S P10 . . 121.7(12) ?
C1S C2S C3S . . 120.0 ?
C1S C2S H2S . . 120.0 ?
C3S C2S H2S . . 120.0 ?
C4S C3S C2S . . 120.0 ?
C4S C3S H3S . . 120.0 ?
C2S C3S H3S . . 120.0 ?
C5S C4S C3S . . 120.0 ?
C5S C4S H4S . . 120.0 ?
C3S C4S H4S . . 120.0 ?
C4S C5S C6S . . 120.0 ?
C4S C5S H5S . . 120.0 ?
C6S C5S H5S . . 120.0 ?
O6S C6S C5S . . 124.0(16) ?
O6S C6S C1S . . 115.9(16) ?
C5S C6S C1S . . 120.0 ?
C6S O6S C7S . . 119.(2) ?
O6S C7S H7SA . . 109.5 ?
O6S C7S H7SB . . 109.5 ?
H7SA C7S H7SB . . 109.5 ?
O6S C7S H7SC . . 109.5 ?
H7SA C7S H7SC . . 109.5 ?
H7SB C7S H7SC . . 109.5 ?
C2T C1T C6T . . 120.0 ?
C2T C1T P10 . . 115.5(13) ?
C6T C1T P10 . . 124.2(13) ?
C3T C2T C1T . . 120.0 ?
C3T C2T H2T . . 120.0 ?
C1T C2T H2T . . 120.0 ?
C4T C3T C2T . . 120.0 ?
C4T C3T H3T . . 120.0 ?
C2T C3T H3T . . 120.0 ?
C5T C4T C3T . . 120.0 ?
C5T C4T H4T . . 120.0 ?
C3T C4T H4T . . 120.0 ?
C4T C5T C6T . . 120.0 ?
C4T C5T H5T . . 120.0 ?
C6T C5T H5T . . 120.0 ?
C5T C6T C1T . . 120.0 ?
C5T C6T H6T . . 120.0 ?
C1T C6T H6T . . 120.0 ?
F2A P1A F5A . . 91.1(10) ?
F2A P1A F1A . . 90.5(10) ?
F5A P1A F1A . . 90.8(10) ?
F2A P1A F6A . . 90.3(10) ?
F5A P1A F6A . . 178.4(13) ?
F1A P1A F6A . . 89.9(10) ?
F2A P1A F3A . . 90.4(10) ?
F5A P1A F3A . . 89.8(10) ?
F1A P1A F3A . . 178.9(13) ?
F6A P1A F3A . . 89.5(10) ?
F2A P1A F4A . . 179.0(13) ?
F5A P1A F4A . . 89.5(10) ?
F1A P1A F4A . . 90.3(10) ?
F6A P1A F4A . . 89.1(10) ?
F3A P1A F4A . . 88.8(10) ?
F4B P1B F5B . . 90.5(10) ?
F4B P1B F6B . . 90.3(10) ?
F5B P1B F6B . . 179.1(13) ?
F4B P1B F3B . . 90.5(10) ?
F5B P1B F3B . . 90.0(10) ?
F6B P1B F3B . . 90.1(10) ?
F4B P1B F1B . . 90.0(10) ?
F5B P1B F1B . . 90.2(10) ?
F6B P1B F1B . . 89.8(10) ?
F3B P1B F1B . . 179.4(13) ?
F4B P1B F2B . . 179.5(13) ?
F5B P1B F2B . . 89.6(10) ?
F6B P1B F2B . . 89.5(10) ?
F3B P1B F2B . . 90.0(9) ?
F1B P1B F2B . . 89.5(10) ?
F5C P1C F4C . . 90.1(11) ?
F5C P1C F3C . . 90.7(11) ?
F4C P1C F3C . . 90.1(11) ?
F5C P1C F2C . . 91.0(11) ?
F4C P1C F2C . . 178.9(14) ?
F3C P1C F2C . . 90.1(11) ?
F5C P1C F1C . . 90.4(11) ?
F4C P1C F1C . . 89.9(11) ?
F3C P1C F1C . . 178.9(14) ?
F2C P1C F1C . . 89.9(11) ?
F5C P1C F6C . . 179.7(16) ?
F4C P1C F6C . . 89.7(11) ?
F3C P1C F6C . . 89.6(11) ?
F2C P1C F6C . . 89.2(11) ?
F1C P1C F6C . . 89.3(11) ?



####################################################################### 
# 
# 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_exp822
_database_code_depnum_ccdc_archive 'CCDC 2032119'
loop_
_audit_author_name
_audit_author_address
'Yukatsu Shichibu'
;Hokkaido University
Japan
;
_audit_update_record             
;
2020-09-15 deposited with the CCDC.	2020-11-05 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C140 H140 Au13 Cl2 F18 O10 P13'
_chemical_formula_iupac          ?
_chemical_formula_weight         5358.59
_chemical_absolute_configuration rm

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.927(2)
_cell_length_b                   30.464(3)
_cell_length_c                   31.269(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     18029.(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    343
_cell_measurement_theta_min      2.3119
_cell_measurement_theta_max      19.0687
_cell_measurement_temperature    90.0(2)

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.520
_exptl_crystal_size_min          0.290
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9912

_exptl_absorpt_coefficient_mu    10.741
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.06
_exptl_absorpt_correction_T_max  0.15

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90.0(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            104813
_diffrn_reflns_av_R_equivalents  0.0811
_diffrn_reflns_av_unetI/netI     0.1228
_diffrn_reflns_theta_min         0.93
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       15

_refine_special_details          
;

Refined as a 2-component inversion twin.
;

_reflns_number_total             41247
_reflns_number_gt                28138
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1288
_refine_ls_R_factor_gt           0.0799
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.1899
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.003
_refine_ls_number_reflns         41247
_refine_ls_number_parameters     1536
_refine_ls_number_restraints     2626
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0357P)²+620.1956P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         4.033
_refine_diff_density_min         -2.925
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.113(17)

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_computing_data_collection       ?
_computing_cell_refinement       'APEX3 v2017.3-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 833)'
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.43120(6) 0.10609(4) 0.77178(4) 0.0396(3) Uani d U . . 1 . .
Au Au2 0.53228(6) 0.13995(4) 0.70926(4) 0.0377(3) Uani d U . . 1 . .
Au Au3 0.67355(6) 0.13013(4) 0.74545(4) 0.0372(3) Uani d U . . 1 . .
Au Au4 0.66187(7) 0.08788(5) 0.82990(4) 0.0460(3) Uani d U . . 1 . .
Au Au5 0.51132(7) 0.07322(5) 0.84589(4) 0.0465(3) Uani d U . . 1 . .
Au Au6 0.45468(7) 0.01382(4) 0.78153(4) 0.0428(3) Uani d U . . 1 . .
Au Au7 0.47175(7) 0.05495(4) 0.69721(4) 0.0416(3) Uani d U . . 1 . .
Au Au8 0.62476(7) 0.06886(4) 0.68295(4) 0.0414(3) Uani d U . . 1 . .
Au Au9 0.70151(7) 0.03671(4) 0.75737(5) 0.0456(3) Uani d U . . 1 . .
Au Au10 0.59696(7) 0.00279(4) 0.81739(5) 0.0498(3) Uani d U . . 1 . .
Au Au11 0.55739(7) 0.15071(4) 0.80161(4) 0.0439(3) Uani d U . . 1 . .
Au Au12 0.56601(6) 0.07165(4) 0.76375(4) 0.0354(2) Uani d U . . 1 . .
Au Au13 0.57423(7) -0.00835(4) 0.72731(5) 0.0473(3) Uani d U . . 1 . .
P P1 0.3150(5) 0.1173(3) 0.7902(3) 0.053(2) Uani d U . D 1 . .
P P2 0.4722(5) 0.1842(3) 0.6627(3) 0.046(2) Uani d U . D 1 . .
P P3 0.7497(4) 0.1762(3) 0.7096(3) 0.044(2) Uani d U . D 1 . .
P P4 0.7651(5) 0.0987(4) 0.8680(3) 0.063(3) Uani d U . D 1 . .
P P5 0.4843(8) 0.0562(6) 0.9153(4) 0.095(4) Uani d U . D 1 . .
P P6 0.3430(5) -0.0171(3) 0.7863(3) 0.055(2) Uani d U . D 1 . .
P P7 0.4145(5) 0.0584(3) 0.6324(3) 0.055(2) Uani d U . D 1 . .
P P8 0.7009(5) 0.0762(3) 0.6265(3) 0.054(2) Uani d U . D 1 . .
P P9 0.8100(5) 0.0076(3) 0.7762(4) 0.064(3) Uani d U . D 1 . .
P P10 0.5963(7) -0.0481(4) 0.8711(4) 0.076(3) Uani d U . D 1 . .
Cl Cl1 0.5511(5) 0.2186(3) 0.8360(4) 0.076(3) Uani d U . . 1 . .
Cl Cl2 0.5804(5) -0.0777(3) 0.6957(4) 0.069(3) Uani d U . . 1 . .
C C1V 0.2804(17) 0.0642(7) 0.8106(9) 0.050(7) Uani d U . D 1 . .
H H1VA 0.309785 0.054234 0.834965 0.06 Uiso calc U . R 1 . .
H H1VB 0.231512 0.068291 0.82107 0.06 Uiso calc U . R 1 . .
C C2V 0.2811(14) 0.0291(8) 0.7755(10) 0.050(7) Uani d U . D 1 . .
H H2VA 0.294328 0.043035 0.748069 0.06 Uiso calc U . R 1 . .
H H2VB 0.232766 0.017088 0.772276 0.06 Uiso calc U . R 1 . .
C C1W 0.4008(15) 0.1516(10) 0.6376(11) 0.058(7) Uani d U . D 1 . .
H H1WA 0.369647 0.139351 0.660031 0.069 Uiso calc U . R 1 . .
H H1WB 0.371981 0.17075 0.618907 0.069 Uiso calc U . R 1 . .
C C2W 0.432(2) 0.1143(7) 0.6112(10) 0.056(7) Uani d U . D 1 . .
H H2WA 0.483991 0.118507 0.609416 0.067 Uiso calc U . R 1 . .
H H2WB 0.413149 0.116111 0.581757 0.067 Uiso calc U . R 1 . .
C C1X 0.7432(17) 0.1618(8) 0.6516(7) 0.045(7) Uani d U . D 1 . .
H H1XA 0.693243 0.163634 0.642354 0.054 Uiso calc U . R 1 . .
H H1XB 0.770817 0.183105 0.634562 0.054 Uiso calc U . R 1 . .
C C2X 0.7709(14) 0.1156(8) 0.6434(11) 0.049(7) Uani d U . D 1 . .
H H2XA 0.793539 0.104474 0.669807 0.058 Uiso calc U . R 1 . .
H H2XB 0.807655 0.116934 0.620867 0.058 Uiso calc U . R 1 . .
C C1Y 0.8350(16) 0.0735(10) 0.8343(12) 0.069(8) Uani d U . D 1 . .
H H1YA 0.832578 0.08557 0.804921 0.083 Uiso calc U . R 1 . .
H H1YB 0.882146 0.080372 0.846235 0.083 Uiso calc U . R 1 . .
C C2Y 0.824(2) 0.0233(10) 0.8330(8) 0.062(8) Uani d U . D 1 . .
H H2YA 0.782877 0.014918 0.850485 0.075 Uiso calc U . R 1 . .
H H2YB 0.866506 0.008191 0.84452 0.075 Uiso calc U . R 1 . .
C C1Z 0.551(2) 0.0153(12) 0.9327(16) 0.113(11) Uani d U . D 1 . .
H H1ZA 0.598486 0.024699 0.9237 0.135 Uiso calc U . R 1 . .
H H1ZB 0.550158 0.012614 0.964248 0.135 Uiso calc U . R 1 . .
C C2Z 0.532(2) -0.0287(14) 0.9121(13) 0.102(10) Uani d U . D 1 . .
H H2ZA 0.484889 -0.026206 0.898537 0.123 Uiso calc U . R 1 . .
H H2ZB 0.528519 -0.051224 0.934849 0.123 Uiso calc U . R 1 . .
C C1A 0.3052(15) 0.1590(8) 0.8314(8) 0.063(7) Uani d U . G 1 . .
C C2A 0.3667(11) 0.1786(9) 0.8464(9) 0.064(8) Uani d U . G 1 . .
H H2A 0.411096 0.170622 0.834545 0.076 Uiso calc U . R 1 . .
C C3A 0.3632(13) 0.2099(9) 0.8786(9) 0.086(10) Uani d U . G 1 . .
H H3A 0.405229 0.22333 0.888865 0.103 Uiso calc U . R 1 . .
C C4A 0.2982(17) 0.2216(9) 0.8959(9) 0.092(10) Uani d U . G 1 . .
H H4A 0.295816 0.243016 0.917952 0.111 Uiso calc U . R 1 . .
C C5A 0.2367(13) 0.2020(11) 0.8809(10) 0.099(10) Uani d U . G 1 . .
H H5A 0.19227 0.209995 0.89272 0.119 Uiso calc U . R 1 . .
C C6A 0.2402(12) 0.1707(10) 0.8486(10) 0.092(9) Uani d U . G 1 . .
O O6A 0.1861(15) 0.1464(10) 0.8347(10) 0.085(8) Uani d U . . 1 . .
C C7A 0.118(3) 0.1518(19) 0.8547(19) 0.109(16) Uani d U . . 1 . .
H H7AA 0.08804 0.170185 0.83662 0.164 Uiso calc U . R 1 . .
H H7AB 0.124312 0.165927 0.882665 0.164 Uiso calc U . R 1 . .
H H7AC 0.096063 0.123011 0.858607 0.164 Uiso calc U . R 1 . .
C C1B 0.2525(13) 0.1335(10) 0.7498(8) 0.065(7) Uani d U . G 1 . .
C C2B 0.2751(13) 0.1690(10) 0.7254(11) 0.090(10) Uani d U . G 1 . .
H H2B 0.317618 0.183809 0.732615 0.109 Uiso calc U . R 1 . .
C C3B 0.2355(18) 0.1828(10) 0.6904(10) 0.105(11) Uani d U . G 1 . .
H H3B 0.25097 0.207011 0.673779 0.126 Uiso calc U . R 1 . .
C C4B 0.1733(17) 0.1611(11) 0.6799(9) 0.107(11) Uani d U . G 1 . .
H H4B 0.146255 0.170495 0.655981 0.129 Uiso calc U . R 1 . .
C C5B 0.1507(13) 0.1256(11) 0.7042(11) 0.098(11) Uani d U . G 1 . .
H H5B 0.108186 0.110776 0.697019 0.117 Uiso calc U . R 1 . .
C C6B 0.1903(14) 0.1118(8) 0.7392(10) 0.077(9) Uani d U . G 1 . .
H H6B 0.174833 0.087574 0.755856 0.093 Uiso calc U . R 1 . .
C C1C 0.4273(12) 0.2277(7) 0.6903(8) 0.054(7) Uani d U . G 1 . .
C C2C 0.4476(12) 0.2326(8) 0.7327(8) 0.068(8) Uani d U . G 1 . .
H H2C 0.482573 0.213849 0.744568 0.082 Uiso calc U . R 1 . .
C C3C 0.4166(15) 0.2649(9) 0.7579(7) 0.090(10) Uani d U . G 1 . .
H H3C 0.430468 0.268279 0.786916 0.108 Uiso calc U . R 1 . .
C C4C 0.3654(15) 0.2924(8) 0.7406(8) 0.078(9) Uani d U . G 1 . .
H H4C 0.344209 0.314475 0.757791 0.094 Uiso calc U . R 1 . .
C C5C 0.3451(13) 0.2875(8) 0.6981(9) 0.089(10) Uani d U . G 1 . .
H H5C 0.310055 0.306241 0.686317 0.107 Uiso calc U . R 1 . .
C C6C 0.3760(13) 0.2552(8) 0.6730(7) 0.059(7) Uani d U . G 1 . .
O O6C 0.3601(14) 0.2494(9) 0.6327(9) 0.068(7) Uani d U . . 1 . .
C C7C 0.313(2) 0.2797(14) 0.6131(16) 0.081(12) Uani d U . . 1 . .
H H7CA 0.323661 0.282175 0.582593 0.121 Uiso calc U . R 1 . .
H H7CB 0.317306 0.308488 0.626722 0.121 Uiso calc U . R 1 . .
H H7CC 0.263938 0.269114 0.616512 0.121 Uiso calc U . R 1 . .
C C1D 0.5200(11) 0.2109(6) 0.6201(6) 0.049(6) Uani d U . G 1 . .
C C2D 0.5861(11) 0.2280(7) 0.6299(6) 0.045(7) Uani d U . G 1 . .
H H2D 0.603726 0.226241 0.658293 0.054 Uiso calc U . R 1 . .
C C3D 0.6265(10) 0.2478(7) 0.5981(8) 0.059(8) Uani d U . G 1 . .
H H3D 0.671682 0.259484 0.604821 0.071 Uiso calc U . R 1 . .
C C4D 0.6007(12) 0.2504(8) 0.5566(7) 0.066(8) Uani d U . G 1 . .
H H4D 0.628308 0.263925 0.534876 0.079 Uiso calc U . R 1 . .
C C5D 0.5346(13) 0.2333(8) 0.5468(6) 0.067(8) Uani d U . G 1 . .
H H5D 0.516977 0.235122 0.518403 0.081 Uiso calc U . R 1 . .
C C6D 0.4942(10) 0.2136(7) 0.5786(7) 0.054(7) Uani d U . G 1 . .
H H6D 0.44902 0.201879 0.571875 0.065 Uiso calc U . R 1 . .
C C1E 0.7254(12) 0.2342(5) 0.7148(8) 0.048(6) Uani d U . G 1 . .
C C2E 0.6738(12) 0.2438(6) 0.7450(7) 0.059(8) Uani d U . G 1 . .
H H2E 0.65395 0.220977 0.76187 0.071 Uiso calc U . R 1 . .
C C3E 0.6511(12) 0.2869(7) 0.7506(7) 0.065(8) Uani d U . G 1 . .
H H3E 0.61585 0.293415 0.771227 0.078 Uiso calc U . R 1 . .
C C4E 0.6801(14) 0.3203(5) 0.7259(8) 0.070(8) Uani d U . G 1 . .
H H4E 0.664648 0.349693 0.729736 0.085 Uiso calc U . R 1 . .
C C5E 0.7317(14) 0.3107(6) 0.6957(8) 0.067(8) Uani d U . G 1 . .
H H5E 0.751546 0.333533 0.678888 0.08 Uiso calc U . R 1 . .
C C6E 0.7544(12) 0.2677(7) 0.6902(7) 0.059(7) Uani d U . G 1 . .
O O6E 0.8043(17) 0.2542(10) 0.6623(10) 0.087(8) Uani d U . . 1 . .
C C7E 0.836(3) 0.2907(14) 0.6395(16) 0.096(14) Uani d U . . 1 . .
H H7EA 0.848905 0.281335 0.610563 0.144 Uiso calc U . R 1 . .
H H7EB 0.878163 0.300635 0.654746 0.144 Uiso calc U . R 1 . .
H H7EC 0.801823 0.314917 0.637705 0.144 Uiso calc U . R 1 . .
C C1F 0.8421(9) 0.1720(8) 0.7221(8) 0.058(7) Uani d U . G 1 . .
C C2F 0.8559(11) 0.1669(8) 0.7655(8) 0.068(8) Uani d U . G 1 . .
H H2F 0.818116 0.166894 0.785468 0.082 Uiso calc U . R 1 . .
C C3F 0.9251(14) 0.1620(9) 0.7796(7) 0.073(9) Uani d U . G 1 . .
H H3F 0.934548 0.15852 0.809268 0.087 Uiso calc U . R 1 . .
C C4F 0.9804(10) 0.1620(9) 0.7504(9) 0.077(9) Uani d U . G 1 . .
H H4F 1.027663 0.158603 0.76004 0.092 Uiso calc U . R 1 . .
C C5F 0.9665(11) 0.1670(9) 0.7070(8) 0.078(9) Uani d U . G 1 . .
H H5F 1.004346 0.16706 0.687012 0.093 Uiso calc U . R 1 . .
C C6F 0.8974(13) 0.1720(9) 0.6929(7) 0.070(8) Uani d U . G 1 . .
H H6F 0.887913 0.175434 0.66321 0.084 Uiso calc U . R 1 . .
C C1G 0.7857(17) 0.1576(8) 0.8762(11) 0.078(8) Uani d U . G 1 . .
C C2G 0.7324(14) 0.1861(11) 0.8634(10) 0.097(10) Uani d U . G 1 . .
H H2G 0.688828 0.174757 0.853094 0.116 Uiso calc U . R 1 . .
C C3G 0.7428(17) 0.2312(10) 0.8658(11) 0.109(11) Uani d U . G 1 . .
H H3G 0.706348 0.250684 0.857068 0.13 Uiso calc U . R 1 . .
C C4G 0.806(2) 0.2478(8) 0.8809(12) 0.115(12) Uani d U . G 1 . .
H H4G 0.813589 0.278582 0.882515 0.138 Uiso calc U . R 1 . .
C C5G 0.8598(15) 0.2192(12) 0.8937(11) 0.107(11) Uani d U . G 1 . .
H H5G 0.903312 0.230553 0.903988 0.129 Uiso calc U . R 1 . .
C C6G 0.8494(15) 0.1741(11) 0.8913(11) 0.096(9) Uani d U . G 1 . .
O O6G 0.8954(16) 0.1443(12) 0.8990(11) 0.097(9) Uani d U . . 1 . .
C C7G 0.961(2) 0.1581(18) 0.9211(17) 0.097(14) Uani d U . . 1 . .
H H7GA 0.999665 0.138443 0.913073 0.146 Uiso calc U . R 1 . .
H H7GB 0.953715 0.156871 0.952104 0.146 Uiso calc U . R 1 . .
H H7GC 0.972726 0.188235 0.912693 0.146 Uiso calc U . R 1 . .
C C1H 0.7733(17) 0.0751(11) 0.9216(8) 0.078(8) Uani d U . G 1 . .
C C2H 0.7165(13) 0.0796(10) 0.9494(10) 0.088(10) Uani d U . G 1 . .
H H2H 0.674639 0.093934 0.940138 0.106 Uiso calc U . R 1 . .
C C3H 0.7208(15) 0.0631(11) 0.9908(9) 0.095(10) Uani d U . G 1 . .
H H3H 0.681998 0.066132 1.009756 0.115 Uiso calc U . R 1 . .
C C4H 0.7821(19) 0.0420(12) 1.0043(8) 0.107(11) Uani d U . G 1 . .
H H4H 0.785048 0.030744 1.032572 0.128 Uiso calc U . R 1 . .
C C5H 0.8389(15) 0.0375(11) 0.9765(11) 0.110(11) Uani d U . G 1 . .
H H5H 0.880738 0.023156 0.985768 0.131 Uiso calc U . R 1 . .
C C6H 0.8345(14) 0.0540(12) 0.9352(10) 0.093(10) Uani d U . G 1 . .
H H6H 0.87338 0.050957 0.916149 0.112 Uiso calc U . R 1 . .
C C1I 0.529(2) 0.1022(14) 0.9532(17) 0.134(14) Uani d U . G 1 . .
C C2I 0.545(2) 0.1407(19) 0.9314(11) 0.147(14) Uani d U . G 1 . .
H H2I 0.54171 0.141558 0.901113 0.177 Uiso calc U . R 1 . .
C C3I 0.565(2) 0.1780(14) 0.9540(17) 0.157(15) Uani d U . G 1 . .
H H3I 0.575476 0.204306 0.93913 0.188 Uiso calc U . R 1 . .
C C4I 0.569(2) 0.1767(14) 0.9984(17) 0.150(15) Uani d U . G 1 . .
H H4I 0.582541 0.202183 1.013814 0.18 Uiso calc U . R 1 . .
C C5I 0.553(2) 0.1382(19) 1.0202(11) 0.141(14) Uani d U . G 1 . .
H H5I 0.555841 0.137312 1.050482 0.17 Uiso calc U . R 1 . .
C C6I 0.533(2) 0.1009(14) 0.9976(17) 0.143(12) Uani d U . G 1 . .
O O6I 0.499(2) 0.0661(16) 1.0068(15) 0.137(12) Uani d U . . 1 . .
C C7I 0.489(4) 0.078(3) 1.054(2) 0.17(2) Uani d U . . 1 . .
H H7IA 0.463203 0.05462 1.068214 0.26 Uiso calc U . R 1 . .
H H7IB 0.535849 0.081479 1.067248 0.26 Uiso calc U . R 1 . .
H H7IC 0.46311 0.105623 1.05596 0.26 Uiso calc U . R 1 . .
C C1J 0.3913(17) 0.0518(16) 0.9287(13) 0.112(10) Uani d U . G 1 . .
C C2J 0.368(2) 0.0951(13) 0.9265(13) 0.129(13) Uani d U . G 1 . .
H H2J 0.400551 0.117853 0.919664 0.154 Uiso calc U . R 1 . .
C C3J 0.298(3) 0.1050(12) 0.9344(14) 0.143(14) Uani d U . G 1 . .
H H3J 0.281883 0.134583 0.932886 0.172 Uiso calc U . R 1 . .
C C4J 0.2503(17) 0.0717(17) 0.9445(14) 0.146(14) Uani d U . G 1 . .
H H4J 0.202154 0.078511 0.949819 0.175 Uiso calc U . R 1 . .
C C5J 0.273(2) 0.0285(14) 0.9467(14) 0.148(14) Uani d U . G 1 . .
H H5J 0.241091 0.005709 0.953529 0.178 Uiso calc U . R 1 . .
C C6J 0.344(2) 0.0185(12) 0.9388(14) 0.137(13) Uani d U . G 1 . .
H H6J 0.359758 -0.011022 0.940306 0.165 Uiso calc U . R 1 . .
C C1K 0.3289(12) -0.0563(7) 0.7417(7) 0.058(7) Uani d U . G 1 . .
C C2K 0.3868(9) -0.0708(8) 0.7183(8) 0.056(7) Uani d U . G 1 . .
H H2K 0.432768 -0.060313 0.724929 0.067 Uiso calc U . R 1 . .
C C3K 0.3774(11) -0.1006(8) 0.6851(8) 0.066(8) Uani d U . G 1 . .
H H3K 0.417004 -0.11053 0.669111 0.079 Uiso calc U . R 1 . .
C C4K 0.3102(14) -0.1160(8) 0.6754(7) 0.072(9) Uani d U . G 1 . .
H H4K 0.303769 -0.136368 0.652728 0.087 Uiso calc U . R 1 . .
C C5K 0.2523(10) -0.1015(8) 0.6988(8) 0.073(9) Uani d U . G 1 . .
H H5K 0.206298 -0.11199 0.692162 0.088 Uiso calc U . R 1 . .
C C6K 0.2616(10) -0.0717(8) 0.7320(8) 0.064(7) Uani d U . G 1 . .
O O6K 0.2059(15) -0.0566(10) 0.7584(10) 0.080(7) Uani d U . . 1 . .
C C7K 0.1360(19) -0.0739(17) 0.7540(16) 0.094(13) Uani d U . . 1 . .
H H7KA 0.123085 -0.074817 0.723695 0.14 Uiso calc U . R 1 . .
H H7KB 0.102696 -0.055053 0.769481 0.14 Uiso calc U . R 1 . .
H H7KC 0.134342 -0.103631 0.765944 0.14 Uiso calc U . R 1 . .
C C1L 0.3144(12) -0.0448(8) 0.8326(7) 0.060(7) Uani d U . G 1 . .
C C2L 0.3600(10) -0.0761(8) 0.8495(8) 0.059(8) Uani d U . G 1 . .
H H2L 0.405902 -0.07968 0.837657 0.071 Uiso calc U . R 1 . .
C C3L 0.3385(13) -0.1021(8) 0.8836(8) 0.060(8) Uani d U . G 1 . .
H H3L 0.369713 -0.12342 0.895141 0.073 Uiso calc U . R 1 . .
C C4L 0.2714(14) -0.0968(8) 0.9009(7) 0.078(9) Uani d U . G 1 . .
H H4L 0.256692 -0.114526 0.924206 0.093 Uiso calc U . R 1 . .
C C5L 0.2257(11) -0.0655(9) 0.8840(9) 0.081(9) Uani d U . G 1 . .
H H5L 0.179859 -0.061892 0.895787 0.098 Uiso calc U . R 1 . .
C C6L 0.2472(11) -0.0395(8) 0.8498(8) 0.067(8) Uani d U . G 1 . .
H H6L 0.216047 -0.018151 0.838304 0.08 Uiso calc U . R 1 . .
C C1M 0.4507(15) 0.0170(8) 0.5949(8) 0.069(8) Uani d U . G 1 . .
C C2M 0.4999(16) -0.0129(10) 0.6103(7) 0.080(9) Uani d U . G 1 . .
H H2M 0.5161 -0.010932 0.638969 0.096 Uiso calc U . R 1 . .
C C3M 0.5255(15) -0.0458(9) 0.5836(9) 0.090(10) Uani d U . G 1 . .
H H3M 0.559116 -0.06632 0.594133 0.109 Uiso calc U . R 1 . .
C C4M 0.5018(17) -0.0488(9) 0.5417(9) 0.094(10) Uani d U . G 1 . .
H H4M 0.51927 -0.07125 0.523454 0.112 Uiso calc U . R 1 . .
C C5M 0.4526(18) -0.0188(11) 0.5263(7) 0.098(10) Uani d U . G 1 . .
H H5M 0.436408 -0.020793 0.497611 0.117 Uiso calc U . R 1 . .
C C6M 0.4270(15) 0.0141(9) 0.5529(9) 0.084(8) Uani d U . G 1 . .
O O6M 0.3897(16) 0.0521(10) 0.5394(9) 0.076(7) Uani d U . . 1 . .
C C7M 0.369(3) 0.054(2) 0.4939(17) 0.113(16) Uani d U . . 1 . .
H H7MA 0.401662 0.073315 0.478393 0.17 Uiso calc U . R 1 . .
H H7MB 0.320909 0.065353 0.491425 0.17 Uiso calc U . R 1 . .
H H7MC 0.371291 0.024398 0.481564 0.17 Uiso calc U . R 1 . .
C C1N 0.3191(11) 0.0509(9) 0.6305(10) 0.068(8) Uani d U . G 1 . .
C C2N 0.2914(14) 0.0144(8) 0.6513(9) 0.080(9) Uani d U . G 1 . .
H H2N 0.321767 -0.004594 0.666952 0.096 Uiso calc U . R 1 . .
C C3N 0.2194(15) 0.0057(9) 0.6493(9) 0.084(10) Uani d U . G 1 . .
H H3N 0.200536 -0.019238 0.663547 0.101 Uiso calc U . R 1 . .
C C4N 0.1750(11) 0.0335(11) 0.6265(10) 0.092(10) Uani d U . G 1 . .
H H4N 0.12582 0.027509 0.62507 0.11 Uiso calc U . R 1 . .
C C5N 0.2027(15) 0.0699(10) 0.6056(10) 0.094(10) Uani d U . G 1 . .
H H5N 0.172334 0.088902 0.589999 0.112 Uiso calc U . R 1 . .
C C6N 0.2747(16) 0.0786(8) 0.6076(9) 0.085(10) Uani d U . G 1 . .
H H6N 0.293565 0.103547 0.593405 0.102 Uiso calc U . R 1 . .
C C1O 0.7469(12) 0.0239(6) 0.6140(8) 0.058(7) Uani d U . G 1 . .
C C2O 0.7237(11) -0.0139(7) 0.6344(8) 0.053(7) Uani d U . G 1 . .
H H2O 0.681474 -0.013379 0.650833 0.064 Uiso calc U . R 1 . .
C C3O 0.7621(13) -0.0526(6) 0.6307(8) 0.064(8) Uani d U . G 1 . .
H H3O 0.746215 -0.078512 0.644688 0.076 Uiso calc U . R 1 . .
C C4O 0.8238(13) -0.0535(6) 0.6067(9) 0.071(9) Uani d U . G 1 . .
H H4O 0.850131 -0.079905 0.60417 0.085 Uiso calc U . R 1 . .
C C5O 0.8471(11) -0.0156(8) 0.5862(8) 0.071(9) Uani d U . G 1 . .
H H5O 0.889308 -0.016165 0.569796 0.085 Uiso calc U . R 1 . .
C C6O 0.8087(13) 0.0231(6) 0.5899(8) 0.067(8) Uani d U . G 1 . .
O O6O 0.8256(16) 0.0610(10) 0.5702(9) 0.081(7) Uani d U . . 1 . .
C C7O 0.885(3) 0.0584(18) 0.5412(18) 0.117(17) Uani d U . . 1 . .
H H7OA 0.876267 0.035146 0.520238 0.175 Uiso calc U . R 1 . .
H H7OB 0.927838 0.051825 0.557398 0.175 Uiso calc U . R 1 . .
H H7OC 0.89035 0.086554 0.526421 0.175 Uiso calc U . R 1 . .
C C1P 0.6708(18) 0.0991(11) 0.5779(9) 0.082(8) Uani d U . G 1 . .
C C2P 0.6088(18) 0.0808(10) 0.5621(11) 0.096(11) Uani d U . G 1 . .
H H2P 0.588876 0.055716 0.575628 0.115 Uiso calc U . R 1 . .
C C3P 0.5760(15) 0.0991(13) 0.5266(12) 0.106(11) Uani d U . G 1 . .
H H3P 0.533663 0.086556 0.51579 0.127 Uiso calc U . R 1 . .
C C4P 0.605(2) 0.1357(12) 0.5068(10) 0.115(12) Uani d U . G 1 . .
H H4P 0.582819 0.148223 0.482544 0.138 Uiso calc U . R 1 . .
C C5P 0.667(2) 0.1540(10) 0.5226(12) 0.113(12) Uani d U . G 1 . .
H H5P 0.687187 0.17905 0.509134 0.136 Uiso calc U . R 1 . .
C C6P 0.7000(15) 0.1357(11) 0.5582(11) 0.102(11) Uani d U . G 1 . .
H H6P 0.7424 0.14821 0.568972 0.122 Uiso calc U . R 1 . .
C C1Q 0.8074(17) -0.0523(8) 0.7703(12) 0.086(8) Uani d U . G 1 . .
C C2Q 0.7526(15) -0.0709(9) 0.7469(11) 0.093(10) Uani d U . G 1 . .
H H2Q 0.715197 -0.052955 0.736679 0.111 Uiso calc U . R 1 . .
C C3Q 0.7526(16) -0.1157(10) 0.7384(12) 0.106(11) Uani d U . G 1 . .
H H3Q 0.715104 -0.12836 0.722427 0.127 Uiso calc U . R 1 . .
C C4Q 0.807(2) -0.1419(7) 0.7534(13) 0.119(12) Uani d U . G 1 . .
H H4Q 0.807301 -0.172537 0.747592 0.143 Uiso calc U . R 1 . .
C C5Q 0.8622(17) -0.1234(10) 0.7768(13) 0.115(12) Uani d U . G 1 . .
H H5Q 0.899591 -0.141308 0.78701 0.138 Uiso calc U . R 1 . .
C C6Q 0.8622(16) -0.0786(11) 0.7853(12) 0.104(10) Uani d U . G 1 . .
O O6Q 0.9134(18) -0.0605(12) 0.8068(13) 0.112(10) Uani d U . . 1 . .
C C7Q 0.969(3) -0.086(2) 0.832(2) 0.136(19) Uani d U . . 1 . .
H H7QA 0.985276 -0.11117 0.815112 0.204 Uiso calc U . R 1 . .
H H7QB 0.948097 -0.096705 0.858864 0.204 Uiso calc U . R 1 . .
H H7QC 1.009007 -0.066846 0.838524 0.204 Uiso calc U . R 1 . .
C C1R 0.8839(11) 0.0242(8) 0.7436(8) 0.060(7) Uani d U . G 1 . .
C C2R 0.8774(11) 0.0311(8) 0.6999(8) 0.060(8) Uani d U . G 1 . .
H H2R 0.832925 0.027246 0.686293 0.072 Uiso calc U . R 1 . .
C C3R 0.9360(14) 0.0434(9) 0.6760(7) 0.073(9) Uani d U . G 1 . .
H H3R 0.931584 0.048114 0.64604 0.087 Uiso calc U . R 1 . .
C C4R 1.0011(12) 0.0490(9) 0.6958(9) 0.082(9) Uani d U . G 1 . .
H H4R 1.041148 0.057487 0.679483 0.098 Uiso calc U . R 1 . .
C C5R 1.0076(11) 0.0422(9) 0.7396(9) 0.088(10) Uani d U . G 1 . .
H H5R 1.052053 0.045991 0.75318 0.106 Uiso calc U . R 1 . .
C C6R 0.9490(14) 0.0298(9) 0.7635(7) 0.077(9) Uani d U . G 1 . .
H H6R 0.953394 0.025122 0.793435 0.092 Uiso calc U . R 1 . .
C C1S 0.5522(15) -0.0978(7) 0.8544(9) 0.071(8) Uani d U . G 1 . .
C C2S 0.5355(15) -0.1035(7) 0.8115(8) 0.075(9) Uani d U . G 1 . .
H H2S 0.547029 -0.081301 0.791344 0.09 Uiso calc U . R 1 . .
C C3S 0.5018(15) -0.1416(8) 0.7981(7) 0.070(8) Uani d U . G 1 . .
H H3S 0.490359 -0.145509 0.768753 0.084 Uiso calc U . R 1 . .
C C4S 0.4849(14) -0.1741(7) 0.8276(9) 0.077(9) Uani d U . G 1 . .
H H4S 0.461882 -0.200165 0.818428 0.092 Uiso calc U . R 1 . .
C C5S 0.5016(16) -0.1684(8) 0.8705(8) 0.081(9) Uani d U . G 1 . .
H H5S 0.490074 -0.190613 0.890695 0.097 Uiso calc U . R 1 . .
C C6S 0.5353(16) -0.1303(9) 0.8839(7) 0.077(8) Uani d U . G 1 . .
O O6S 0.5528(17) -0.1255(10) 0.9245(11) 0.092(8) Uani d U . . 1 . .
C C7S 0.535(3) -0.1571(16) 0.9546(19) 0.122(17) Uani d U . . 1 . .
H H7SA 0.544986 -0.18636 0.942865 0.184 Uiso calc U . R 1 . .
H H7SB 0.485032 -0.15477 0.961709 0.184 Uiso calc U . R 1 . .
H H7SC 0.563609 -0.152687 0.980495 0.184 Uiso calc U . R 1 . .
C C1T 0.6797(16) -0.0657(12) 0.8940(13) 0.096(9) Uani d U . G 1 . .
C C2T 0.712(2) -0.0961(13) 0.8672(10) 0.114(12) Uani d U . G 1 . .
H H2T 0.687977 -0.106145 0.842307 0.137 Uiso calc U . R 1 . .
C C3T 0.779(2) -0.1117(12) 0.8766(13) 0.124(13) Uani d U . G 1 . .
H H3T 0.801076 -0.132479 0.858279 0.148 Uiso calc U . R 1 . .
C C4T 0.8141(16) -0.0970(14) 0.9130(14) 0.129(13) Uani d U . G 1 . .
H H4T 0.859985 -0.107722 0.919492 0.155 Uiso calc U . R 1 . .
C C5T 0.782(2) -0.0667(14) 0.9399(11) 0.133(13) Uani d U . G 1 . .
H H5T 0.805797 -0.056631 0.964732 0.159 Uiso calc U . R 1 . .
C C6T 0.715(2) -0.0510(11) 0.9304(12) 0.123(12) Uani d U . G 1 . .
H H6T 0.692698 -0.030297 0.948759 0.147 Uiso calc U . R 1 . .
P P1A 1.0538(7) 0.0315(5) 0.8842(5) 0.132(6) Uani d U . D 1 . .
F F1A 1.1257(12) 0.0561(9) 0.8777(10) 0.170(14) Uani d U . D 1 . .
F F2A 1.0149(11) 0.0681(8) 0.8579(8) 0.126(11) Uani d U . D 1 . .
F F3A 0.9817(11) 0.0069(8) 0.8907(9) 0.145(12) Uani d U . D 1 . .
F F4A 1.0931(12) -0.0049(9) 0.9102(8) 0.151(13) Uani d U . D 1 . .
F F5A 1.0665(15) 0.0052(9) 0.8420(8) 0.174(15) Uani d U . D 1 . .
F F6A 1.0406(17) 0.0580(9) 0.9261(8) 0.187(16) Uani d U . D 1 . .
P P1B 1.0474(13) 0.2965(7) 0.8637(8) 0.213(10) Uani d U . D 1 . .
F F1B 0.9662(19) 0.3109(13) 0.8848(13) 0.25(2) Uani d U . D 1 . .
F F2B 1.083(2) 0.3462(10) 0.8797(12) 0.197(17) Uani d U . D 1 . .
F F3B 1.1292(19) 0.2819(13) 0.8415(13) 0.24(2) Uani d U . D 1 . .
F F4B 1.013(2) 0.2465(11) 0.8467(13) 0.226(19) Uani d U . D 1 . .
F F5B 1.024(2) 0.3199(13) 0.8147(11) 0.27(2) Uani d U . D 1 . .
F F6B 1.072(2) 0.2727(12) 0.9120(11) 0.25(2) Uani d U . D 1 . .
P P1C 0.2524(14) 0.1840(8) 0.5192(8) 0.258(12) Uani d U . D 1 . .
F F1C 0.242(2) 0.1813(14) 0.5708(10) 0.228(19) Uani d U . D 1 . .
F F2C 0.1677(19) 0.1744(16) 0.5129(14) 0.29(2) Uani d U . D 1 . .
F F3C 0.262(2) 0.1864(14) 0.4677(10) 0.226(19) Uani d U . D 1 . .
F F4C 0.3360(18) 0.1931(15) 0.5254(14) 0.25(2) Uani d U . D 1 . .
F F5C 0.236(3) 0.2363(11) 0.5205(14) 0.27(2) Uani d U . D 1 . .
F F6C 0.267(2) 0.1313(11) 0.5179(13) 0.26(2) Uani d U . D 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 . 2.298(9) ?
Au1 Au12 . 2.7704(17) ?
Au1 Au6 . 2.8622(18) ?
Au1 Au11 . 2.9021(17) ?
Au1 Au7 . 2.9073(17) ?
Au1 Au2 . 2.9233(17) ?
Au1 Au5 . 2.9448(19) ?
Au2 P2 . 2.287(9) ?
Au2 Au12 . 2.7642(17) ?
Au2 Au7 . 2.8566(17) ?
Au2 Au8 . 2.9039(16) ?
Au2 Au3 . 2.9188(18) ?
Au2 Au11 . 2.9445(19) ?
Au3 P3 . 2.304(8) ?
Au3 Au12 . 2.7649(17) ?
Au3 Au8 . 2.8560(18) ?
Au3 Au11 . 2.8828(17) ?
Au3 Au9 . 2.9185(17) ?
Au3 Au4 . 2.9459(18) ?
Au4 P4 . 2.313(10) ?
Au4 Au12 . 2.7954(19) ?
Au4 Au9 . 2.853(2) ?
Au4 Au11 . 2.8908(19) ?
Au4 Au10 . 2.8951(19) ?
Au4 Au5 . 2.9273(18) ?
Au5 P5 . 2.289(12) ?
Au5 Au12 . 2.7694(18) ?
Au5 Au10 . 2.833(2) ?
Au5 Au11 . 2.8722(19) ?
Au5 Au6 . 2.9109(18) ?
Au6 P6 . 2.318(9) ?
Au6 Au12 . 2.8023(17) ?
Au6 Au13 . 2.9069(19) ?
Au6 Au10 . 2.9364(19) ?
Au6 Au7 . 2.9370(19) ?
Au7 P7 . 2.300(10) ?
Au7 Au12 . 2.7877(18) ?
Au7 Au13 . 2.8925(19) ?
Au7 Au8 . 2.9608(18) ?
Au8 P8 . 2.290(9) ?
Au8 Au12 . 2.7619(18) ?
Au8 Au13 . 2.8931(18) ?
Au8 Au9 . 2.913(2) ?
Au9 P9 . 2.313(9) ?
Au9 Au12 . 2.7839(17) ?
Au9 Au10 . 2.9166(19) ?
Au9 Au13 . 2.9276(19) ?
Au10 P10 . 2.286(10) ?
Au10 Au12 . 2.7489(18) ?
Au10 Au13 . 2.870(2) ?
Au11 Cl1 . 2.334(9) ?
Au11 Au12 . 2.6886(17) ?
Au12 Au13 . 2.6946(17) ?
Au13 Cl2 . 2.335(9) ?
P1 C1B . 1.80(2) ?
P1 C1A . 1.82(2) ?
P1 C1V . 1.859(19) ?
P2 C1C . 1.796(19) ?
P2 C1D . 1.804(18) ?
P2 C1W . 1.85(2) ?
P3 C1F . 1.797(19) ?
P3 C1E . 1.832(17) ?
P3 C1X . 1.87(2) ?
P4 C1H . 1.83(2) ?
P4 C1G . 1.85(3) ?
P4 C1Y . 1.86(2) ?
P5 C1J . 1.81(3) ?
P5 C1Z . 1.85(2) ?
P5 C1I . 2.02(4) ?
P6 C1L . 1.76(2) ?
P6 C1K . 1.855(19) ?
P6 C2V . 1.86(2) ?
P7 C1N . 1.82(2) ?
P7 C1M . 1.85(2) ?
P7 C2W . 1.86(2) ?
P8 C1P . 1.76(3) ?
P8 C1O . 1.858(18) ?
P8 C2X . 1.87(2) ?
P9 C1R . 1.80(2) ?
P9 C1Q . 1.83(2) ?
P9 C2Y . 1.86(2) ?
P10 C1S . 1.81(2) ?
P10 C1T . 1.82(3) ?
P10 C2Z . 1.86(2) ?
C1V C2V . 1.53(3) ?
C1V H1VA . 0.99 ?
C1V H1VB . 0.99 ?
C2V H2VA . 0.99 ?
C2V H2VB . 0.99 ?
C1W C2W . 1.53(3) ?
C1W H1WA . 0.99 ?
C1W H1WB . 0.99 ?
C2W H2WA . 0.99 ?
C2W H2WB . 0.99 ?
C1X C2X . 1.52(3) ?
C1X H1XA . 0.99 ?
C1X H1XB . 0.99 ?
C2X H2XA . 0.99 ?
C2X H2XB . 0.99 ?
C1Y C2Y . 1.54(3) ?
C1Y H1YA . 0.99 ?
C1Y H1YB . 0.99 ?
C2Y H2YA . 0.99 ?
C2Y H2YB . 0.99 ?
C1Z C2Z . 1.53(3) ?
C1Z H1ZA . 0.99 ?
C1Z H1ZB . 0.99 ?
C2Z H2ZA . 0.99 ?
C2Z H2ZB . 0.99 ?
C1A C2A . 1.39 ?
C1A C6A . 1.39 ?
C2A C3A . 1.39 ?
C2A H2A . 0.95 ?
C3A C4A . 1.39 ?
C3A H3A . 0.95 ?
C4A C5A . 1.39 ?
C4A H4A . 0.95 ?
C5A C6A . 1.39 ?
C5A H5A . 0.95 ?
C6A O6A . 1.34(4) ?
O6A C7A . 1.44(5) ?
C7A H7AA . 0.98 ?
C7A H7AB . 0.98 ?
C7A H7AC . 0.98 ?
C1B C2B . 1.39 ?
C1B C6B . 1.39 ?
C2B C3B . 1.39 ?
C2B H2B . 0.95 ?
C3B C4B . 1.39 ?
C3B H3B . 0.95 ?
C4B C5B . 1.39 ?
C4B H4B . 0.95 ?
C5B C6B . 1.39 ?
C5B H5B . 0.95 ?
C6B H6B . 0.95 ?
C1C C2C . 1.39 ?
C1C C6C . 1.39 ?
C2C C3C . 1.39 ?
C2C H2C . 0.95 ?
C3C C4C . 1.39 ?
C3C H3C . 0.95 ?
C4C C5C . 1.39 ?
C4C H4C . 0.95 ?
C5C C6C . 1.39 ?
C5C H5C . 0.95 ?
C6C O6C . 1.31(3) ?
O6C C7C . 1.43(4) ?
C7C H7CA . 0.98 ?
C7C H7CB . 0.98 ?
C7C H7CC . 0.98 ?
C1D C2D . 1.39 ?
C1D C6D . 1.39 ?
C2D C3D . 1.39 ?
C2D H2D . 0.95 ?
C3D C4D . 1.39 ?
C3D H3D . 0.95 ?
C4D C5D . 1.39 ?
C4D H4D . 0.95 ?
C5D C6D . 1.39 ?
C5D H5D . 0.95 ?
C6D H6D . 0.95 ?
C1E C2E . 1.39 ?
C1E C6E . 1.39 ?
C2E C3E . 1.39 ?
C2E H2E . 0.95 ?
C3E C4E . 1.39 ?
C3E H3E . 0.95 ?
C4E C5E . 1.39 ?
C4E H4E . 0.95 ?
C5E C6E . 1.39 ?
C5E H5E . 0.95 ?
C6E O6E . 1.35(4) ?
O6E C7E . 1.45(4) ?
C7E H7EA . 0.98 ?
C7E H7EB . 0.98 ?
C7E H7EC . 0.98 ?
C1F C2F . 1.39 ?
C1F C6F . 1.39 ?
C2F C3F . 1.39 ?
C2F H2F . 0.95 ?
C3F C4F . 1.39 ?
C3F H3F . 0.95 ?
C4F C5F . 1.39 ?
C4F H4F . 0.95 ?
C5F C6F . 1.39 ?
C5F H5F . 0.95 ?
C6F H6F . 0.95 ?
C1G C2G . 1.39 ?
C1G C6G . 1.39 ?
C2G C3G . 1.39 ?
C2G H2G . 0.95 ?
C3G C4G . 1.39 ?
C3G H3G . 0.95 ?
C4G C5G . 1.39 ?
C4G H4G . 0.95 ?
C5G C6G . 1.39 ?
C5G H5G . 0.95 ?
C6G O6G . 1.28(4) ?
O6G C7G . 1.48(5) ?
C7G H7GA . 0.98 ?
C7G H7GB . 0.98 ?
C7G H7GC . 0.98 ?
C1H C2H . 1.39 ?
C1H C6H . 1.39 ?
C2H C3H . 1.39 ?
C2H H2H . 0.95 ?
C3H C4H . 1.39 ?
C3H H3H . 0.95 ?
C4H C5H . 1.39 ?
C4H H4H . 0.95 ?
C5H C6H . 1.39 ?
C5H H5H . 0.95 ?
C6H H6H . 0.95 ?
C1I C2I . 1.39 ?
C1I C6I . 1.39 ?
C2I C3I . 1.39 ?
C2I H2I . 0.95 ?
C3I C4I . 1.39 ?
C3I H3I . 0.95 ?
C4I C5I . 1.39 ?
C4I H4I . 0.95 ?
C5I C6I . 1.39 ?
C5I H5I . 0.95 ?
C6I O6I . 1.27(6) ?
O6I C7I . 1.52(8) ?
C7I H7IA . 0.98 ?
C7I H7IB . 0.98 ?
C7I H7IC . 0.98 ?
C1J C2J . 1.39 ?
C1J C6J . 1.39 ?
C2J C3J . 1.39 ?
C2J H2J . 0.95 ?
C3J C4J . 1.39 ?
C3J H3J . 0.95 ?
C4J C5J . 1.39 ?
C4J H4J . 0.95 ?
C5J C6J . 1.39 ?
C5J H5J . 0.95 ?
C6J H6J . 0.95 ?
C1K C2K . 1.39 ?
C1K C6K . 1.39 ?
C2K C3K . 1.39 ?
C2K H2K . 0.95 ?
C3K C4K . 1.39 ?
C3K H3K . 0.95 ?
C4K C5K . 1.39 ?
C4K H4K . 0.95 ?
C5K C6K . 1.39 ?
C5K H5K . 0.95 ?
C6K O6K . 1.41(3) ?
O6K C7K . 1.43(4) ?
C7K H7KA . 0.98 ?
C7K H7KB . 0.98 ?
C7K H7KC . 0.98 ?
C1L C2L . 1.39 ?
C1L C6L . 1.39 ?
C2L C3L . 1.39 ?
C2L H2L . 0.95 ?
C3L C4L . 1.39 ?
C3L H3L . 0.95 ?
C4L C5L . 1.39 ?
C4L H4L . 0.95 ?
C5L C6L . 1.39 ?
C5L H5L . 0.95 ?
C6L H6L . 0.95 ?
C1M C2M . 1.39 ?
C1M C6M . 1.39 ?
C2M C3M . 1.39 ?
C2M H2M . 0.95 ?
C3M C4M . 1.39 ?
C3M H3M . 0.95 ?
C4M C5M . 1.39 ?
C4M H4M . 0.95 ?
C5M C6M . 1.39 ?
C5M H5M . 0.95 ?
C6M O6M . 1.42(4) ?
O6M C7M . 1.48(6) ?
C7M H7MA . 0.98 ?
C7M H7MB . 0.98 ?
C7M H7MC . 0.98 ?
C1N C2N . 1.39 ?
C1N C6N . 1.39 ?
C2N C3N . 1.39 ?
C2N H2N . 0.95 ?
C3N C4N . 1.39 ?
C3N H3N . 0.95 ?
C4N C5N . 1.39 ?
C4N H4N . 0.95 ?
C5N C6N . 1.39 ?
C5N H5N . 0.95 ?
C6N H6N . 0.95 ?
C1O C2O . 1.39 ?
C1O C6O . 1.39 ?
C2O C3O . 1.39 ?
C2O H2O . 0.95 ?
C3O C4O . 1.39 ?
C3O H3O . 0.95 ?
C4O C5O . 1.39 ?
C4O H4O . 0.95 ?
C5O C6O . 1.39 ?
C5O H5O . 0.95 ?
C6O O6O . 1.35(3) ?
O6O C7O . 1.44(5) ?
C7O H7OA . 0.98 ?
C7O H7OB . 0.98 ?
C7O H7OC . 0.98 ?
C1P C2P . 1.39 ?
C1P C6P . 1.39 ?
C2P C3P . 1.39 ?
C2P H2P . 0.95 ?
C3P C4P . 1.39 ?
C3P H3P . 0.95 ?
C4P C5P . 1.39 ?
C4P H4P . 0.95 ?
C5P C6P . 1.39 ?
C5P H5P . 0.95 ?
C6P H6P . 0.95 ?
C1Q C2Q . 1.39 ?
C1Q C6Q . 1.39 ?
C2Q C3Q . 1.39 ?
C2Q H2Q . 0.95 ?
C3Q C4Q . 1.39 ?
C3Q H3Q . 0.95 ?
C4Q C5Q . 1.39 ?
C4Q H4Q . 0.95 ?
C5Q C6Q . 1.39 ?
C5Q H5Q . 0.95 ?
C6Q O6Q . 1.30(4) ?
O6Q C7Q . 1.53(6) ?
C7Q H7QA . 0.98 ?
C7Q H7QB . 0.98 ?
C7Q H7QC . 0.98 ?
C1R C2R . 1.39 ?
C1R C6R . 1.39 ?
C2R C3R . 1.39 ?
C2R H2R . 0.95 ?
C3R C4R . 1.39 ?
C3R H3R . 0.95 ?
C4R C5R . 1.39 ?
C4R H4R . 0.95 ?
C5R C6R . 1.39 ?
C5R H5R . 0.95 ?
C6R H6R . 0.95 ?
C1S C2S . 1.39 ?
C1S C6S . 1.39 ?
C2S C3S . 1.39 ?
C2S H2S . 0.95 ?
C3S C4S . 1.39 ?
C3S H3S . 0.95 ?
C4S C5S . 1.39 ?
C4S H4S . 0.95 ?
C5S C6S . 1.39 ?
C5S H5S . 0.95 ?
C6S O6S . 1.32(4) ?
O6S C7S . 1.39(5) ?
C7S H7SA . 0.98 ?
C7S H7SB . 0.98 ?
C7S H7SC . 0.98 ?
C1T C2T . 1.39 ?
C1T C6T . 1.39 ?
C2T C3T . 1.39 ?
C2T H2T . 0.95 ?
C3T C4T . 1.39 ?
C3T H3T . 0.95 ?
C4T C5T . 1.39 ?
C4T H4T . 0.95 ?
C5T C6T . 1.39 ?
C5T H5T . 0.95 ?
C6T H6T . 0.95 ?
P1A F6A . 1.56(2) ?
P1A F4A . 1.562(19) ?
P1A F5A . 1.56(2) ?
P1A F1A . 1.57(2) ?
P1A F3A . 1.57(2) ?
P1A F2A . 1.570(19) ?
P1B F1B . 1.73(3) ?
P1B F2B . 1.73(3) ?
P1B F6B . 1.74(3) ?
P1B F4B . 1.74(3) ?
P1B F5B . 1.75(3) ?
P1B F3B . 1.75(3) ?
P1C F4C . 1.62(3) ?
P1C F3C . 1.62(3) ?
P1C F5C . 1.63(3) ?
P1C F1C . 1.63(3) ?
P1C F6C . 1.63(3) ?
P1C F2C . 1.64(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au1 Au12 . . 163.8(3) ?
P1 Au1 Au6 . . 105.5(2) ?
Au12 Au1 Au6 . . 59.64(4) ?
P1 Au1 Au11 . . 129.6(3) ?
Au12 Au1 Au11 . . 56.53(4) ?
Au6 Au1 Au11 . . 107.33(5) ?
P1 Au1 Au7 . . 122.2(3) ?
Au12 Au1 Au7 . . 58.75(4) ?
Au6 Au1 Au7 . . 61.20(4) ?
Au11 Au1 Au7 . . 106.95(5) ?
P1 Au1 Au2 . . 137.8(3) ?
Au12 Au1 Au2 . . 58.02(4) ?
Au6 Au1 Au2 . . 108.43(5) ?
Au11 Au1 Au2 . . 60.72(4) ?
Au7 Au1 Au2 . . 58.67(4) ?
P1 Au1 Au5 . . 110.2(3) ?
Au12 Au1 Au5 . . 57.87(5) ?
Au6 Au1 Au5 . . 60.15(5) ?
Au11 Au1 Au5 . . 58.84(5) ?
Au7 Au1 Au5 . . 108.24(5) ?
Au2 Au1 Au5 . . 108.01(5) ?
P2 Au2 Au12 . . 162.0(2) ?
P2 Au2 Au7 . . 104.5(2) ?
Au12 Au2 Au7 . . 59.44(4) ?
P2 Au2 Au8 . . 124.0(2) ?
Au12 Au2 Au8 . . 58.26(4) ?
Au7 Au2 Au8 . . 61.85(4) ?
P2 Au2 Au3 . . 139.7(2) ?
Au12 Au2 Au3 . . 58.15(4) ?
Au7 Au2 Au3 . . 109.00(5) ?
Au8 Au2 Au3 . . 58.74(4) ?
P2 Au2 Au1 . . 108.0(2) ?
Au12 Au2 Au1 . . 58.22(4) ?
Au7 Au2 Au1 . . 60.38(4) ?
Au8 Au2 Au1 . . 108.71(5) ?
Au3 Au2 Au1 . . 107.71(5) ?
P2 Au2 Au11 . . 129.7(2) ?
Au12 Au2 Au11 . . 56.09(4) ?
Au7 Au2 Au11 . . 107.15(5) ?
Au8 Au2 Au11 . . 105.28(5) ?
Au3 Au2 Au11 . . 58.90(4) ?
Au1 Au2 Au11 . . 59.28(4) ?
P3 Au3 Au12 . . 162.6(2) ?
P3 Au3 Au8 . . 105.5(2) ?
Au12 Au3 Au8 . . 58.84(4) ?
P3 Au3 Au11 . . 129.9(2) ?
Au12 Au3 Au11 . . 56.81(4) ?
Au8 Au3 Au11 . . 108.20(5) ?
P3 Au3 Au9 . . 122.9(2) ?
Au12 Au3 Au9 . . 58.58(4) ?
Au8 Au3 Au9 . . 60.57(5) ?
Au11 Au3 Au9 . . 105.82(5) ?
P3 Au3 Au2 . . 108.8(2) ?
Au12 Au3 Au2 . . 58.13(4) ?
Au8 Au3 Au2 . . 60.37(4) ?
Au11 Au3 Au2 . . 61.00(4) ?
Au9 Au3 Au2 . . 108.40(5) ?
P3 Au3 Au4 . . 138.6(2) ?
Au12 Au3 Au4 . . 58.51(4) ?
Au8 Au3 Au4 . . 107.68(5) ?
Au11 Au3 Au4 . . 59.45(5) ?
Au9 Au3 Au4 . . 58.21(5) ?
Au2 Au3 Au4 . . 108.88(5) ?
P4 Au4 Au12 . . 162.7(3) ?
P4 Au4 Au9 . . 105.4(3) ?
Au12 Au4 Au9 . . 59.05(5) ?
P4 Au4 Au11 . . 129.9(3) ?
Au12 Au4 Au11 . . 56.41(4) ?
Au9 Au4 Au11 . . 107.36(6) ?
P4 Au4 Au10 . . 123.8(3) ?
Au12 Au4 Au10 . . 57.74(5) ?
Au9 Au4 Au10 . . 60.98(5) ?
Au11 Au4 Au10 . . 105.14(6) ?
P4 Au4 Au5 . . 139.2(3) ?
Au12 Au4 Au5 . . 57.83(4) ?
Au9 Au4 Au5 . . 107.96(6) ?
Au11 Au4 Au5 . . 59.16(5) ?
Au10 Au4 Au5 . . 58.22(5) ?
P4 Au4 Au3 . . 109.6(3) ?
Au12 Au4 Au3 . . 57.50(4) ?
Au9 Au4 Au3 . . 60.41(4) ?
Au11 Au4 Au3 . . 59.19(4) ?
Au10 Au4 Au3 . . 107.57(6) ?
Au5 Au4 Au3 . . 107.02(6) ?
P5 Au5 Au12 . . 163.5(4) ?
P5 Au5 Au10 . . 104.7(4) ?
Au12 Au5 Au10 . . 58.76(5) ?
P5 Au5 Au11 . . 135.3(4) ?
Au12 Au5 Au11 . . 56.89(4) ?
Au10 Au5 Au11 . . 107.29(5) ?
P5 Au5 Au6 . . 115.6(4) ?
Au12 Au5 Au6 . . 59.06(4) ?
Au10 Au5 Au6 . . 61.47(5) ?
Au11 Au5 Au6 . . 106.83(6) ?
P5 Au5 Au4 . . 114.5(4) ?
Au12 Au5 Au4 . . 58.70(4) ?
Au10 Au5 Au4 . . 60.32(5) ?
Au11 Au5 Au4 . . 59.79(4) ?
Au6 Au5 Au4 . . 109.59(6) ?
P5 Au5 Au1 . . 135.1(4) ?
Au12 Au5 Au1 . . 57.90(4) ?
Au10 Au5 Au1 . . 107.74(6) ?
Au11 Au5 Au1 . . 59.84(5) ?
Au6 Au5 Au1 . . 58.52(4) ?
Au4 Au5 Au1 . . 108.36(5) ?
P6 Au6 Au12 . . 162.4(3) ?
P6 Au6 Au1 . . 105.3(3) ?
Au12 Au6 Au1 . . 58.55(4) ?
P6 Au6 Au13 . . 130.7(3) ?
Au12 Au6 Au13 . . 56.29(4) ?
Au1 Au6 Au13 . . 106.67(5) ?
P6 Au6 Au5 . . 123.0(3) ?
Au12 Au6 Au5 . . 57.95(4) ?
Au1 Au6 Au5 . . 61.33(5) ?
Au13 Au6 Au5 . . 105.13(5) ?
P6 Au6 Au10 . . 139.9(3) ?
Au12 Au6 Au10 . . 57.18(4) ?
Au1 Au6 Au10 . . 107.19(5) ?
Au13 Au6 Au10 . . 58.82(5) ?
Au5 Au6 Au10 . . 57.96(5) ?
P6 Au6 Au7 . . 109.3(3) ?
Au12 Au6 Au7 . . 58.06(4) ?
Au1 Au6 Au7 . . 60.16(4) ?
Au13 Au6 Au7 . . 59.33(5) ?
Au5 Au6 Au7 . . 108.35(5) ?
Au10 Au6 Au7 . . 106.90(5) ?
P7 Au7 Au12 . . 162.0(3) ?
P7 Au7 Au2 . . 105.3(3) ?
Au12 Au7 Au2 . . 58.63(4) ?
P7 Au7 Au13 . . 129.3(3) ?
Au12 Au7 Au13 . . 56.60(4) ?
Au2 Au7 Au13 . . 107.00(6) ?
P7 Au7 Au1 . . 123.9(3) ?
Au12 Au7 Au1 . . 58.17(4) ?
Au2 Au7 Au1 . . 60.94(4) ?
Au13 Au7 Au1 . . 105.86(6) ?
P7 Au7 Au6 . . 139.3(3) ?
Au12 Au7 Au6 . . 58.55(4) ?
Au2 Au7 Au6 . . 108.21(5) ?
Au13 Au7 Au6 . . 59.82(5) ?
Au1 Au7 Au6 . . 58.64(4) ?
P7 Au7 Au8 . . 108.8(3) ?
Au12 Au7 Au8 . . 57.34(4) ?
Au2 Au7 Au8 . . 59.86(4) ?
Au13 Au7 Au8 . . 59.23(4) ?
Au1 Au7 Au8 . . 107.60(5) ?
Au6 Au7 Au8 . . 107.69(5) ?
P8 Au8 Au12 . . 162.9(3) ?
P8 Au8 Au3 . . 105.1(3) ?
Au12 Au8 Au3 . . 58.94(4) ?
P8 Au8 Au13 . . 131.1(2) ?
Au12 Au8 Au13 . . 56.86(4) ?
Au3 Au8 Au13 . . 108.06(6) ?
P8 Au8 Au2 . . 121.6(2) ?
Au12 Au8 Au2 . . 58.34(4) ?
Au3 Au8 Au2 . . 60.89(4) ?
Au13 Au8 Au2 . . 105.73(5) ?
P8 Au8 Au9 . . 109.6(3) ?
Au12 Au8 Au9 . . 58.69(5) ?
Au3 Au8 Au9 . . 60.78(4) ?
Au13 Au8 Au9 . . 60.56(5) ?
Au2 Au8 Au9 . . 108.97(5) ?
P8 Au8 Au7 . . 138.2(3) ?
Au12 Au8 Au7 . . 58.18(4) ?
Au3 Au8 Au7 . . 107.86(5) ?
Au13 Au8 Au7 . . 59.21(4) ?
Au2 Au8 Au7 . . 58.29(4) ?
Au9 Au8 Au7 . . 108.63(5) ?
P9 Au9 Au12 . . 161.1(3) ?
P9 Au9 Au4 . . 104.0(3) ?
Au12 Au9 Au4 . . 59.45(4) ?
P9 Au9 Au8 . . 140.8(3) ?
Au12 Au9 Au8 . . 57.95(4) ?
Au4 Au9 Au8 . . 108.68(5) ?
P9 Au9 Au10 . . 107.6(3) ?
Au12 Au9 Au10 . . 57.60(5) ?
Au4 Au9 Au10 . . 60.23(5) ?
Au8 Au9 Au10 . . 107.15(6) ?
P9 Au9 Au3 . . 124.6(3) ?
Au12 Au9 Au3 . . 57.95(4) ?
Au4 Au9 Au3 . . 61.38(4) ?
Au8 Au9 Au3 . . 58.65(4) ?
Au10 Au9 Au3 . . 107.73(5) ?
P9 Au9 Au13 . . 129.2(3) ?
Au12 Au9 Au13 . . 56.23(4) ?
Au4 Au9 Au13 . . 107.16(5) ?
Au8 Au9 Au13 . . 59.39(5) ?
Au10 Au9 Au13 . . 58.81(5) ?
Au3 Au9 Au13 . . 105.48(5) ?
P10 Au10 Au12 . . 164.7(4) ?
P10 Au10 Au5 . . 106.2(4) ?
Au12 Au10 Au5 . . 59.47(5) ?
P10 Au10 Au13 . . 129.8(3) ?
Au12 Au10 Au13 . . 57.27(5) ?
Au5 Au10 Au13 . . 108.21(6) ?
P10 Au10 Au4 . . 120.7(3) ?
Au12 Au10 Au4 . . 59.31(5) ?
Au5 Au10 Au4 . . 61.46(5) ?
Au13 Au10 Au4 . . 107.58(6) ?
P10 Au10 Au9 . . 135.8(3) ?
Au12 Au10 Au9 . . 58.77(4) ?
Au5 Au10 Au9 . . 108.80(5) ?
Au13 Au10 Au9 . . 60.78(5) ?
Au4 Au10 Au9 . . 58.79(4) ?
P10 Au10 Au6 . . 110.7(3) ?
Au12 Au10 Au6 . . 58.95(4) ?
Au5 Au10 Au6 . . 60.57(5) ?
Au13 Au10 Au6 . . 60.08(5) ?
Au4 Au10 Au6 . . 109.77(6) ?
Au9 Au10 Au6 . . 109.63(6) ?
Cl1 Au11 Au12 . . 178.5(3) ?
Cl1 Au11 Au5 . . 119.3(3) ?
Au12 Au11 Au5 . . 59.63(5) ?
Cl1 Au11 Au3 . . 120.8(3) ?
Au12 Au11 Au3 . . 59.38(4) ?
Au5 Au11 Au3 . . 110.27(5) ?
Cl1 Au11 Au4 . . 118.7(3) ?
Au12 Au11 Au4 . . 60.01(5) ?
Au5 Au11 Au4 . . 61.05(5) ?
Au3 Au11 Au4 . . 61.36(4) ?
Cl1 Au11 Au1 . . 121.4(3) ?
Au12 Au11 Au1 . . 59.26(4) ?
Au5 Au11 Au1 . . 61.32(4) ?
Au3 Au11 Au1 . . 109.27(5) ?
Au4 Au11 Au1 . . 110.56(5) ?
Cl1 Au11 Au2 . . 122.9(3) ?
Au12 Au11 Au2 . . 58.56(4) ?
Au5 Au11 Au2 . . 109.41(5) ?
Au3 Au11 Au2 . . 60.11(4) ?
Au4 Au11 Au2 . . 109.69(5) ?
Au1 Au11 Au2 . . 59.99(4) ?
Au11 Au12 Au13 . . 178.88(7) ?
Au11 Au12 Au10 . . 115.34(6) ?
Au13 Au12 Au10 . . 63.62(5) ?
Au11 Au12 Au8 . . 117.05(6) ?
Au13 Au12 Au8 . . 64.03(5) ?
Au10 Au12 Au8 . . 116.67(6) ?
Au11 Au12 Au2 . . 65.35(5) ?
Au13 Au12 Au2 . . 115.69(6) ?
Au10 Au12 Au2 . . 178.77(7) ?
Au8 Au12 Au2 . . 63.40(4) ?
Au11 Au12 Au3 . . 63.81(4) ?
Au13 Au12 Au3 . . 116.92(6) ?
Au10 Au12 Au3 . . 117.46(6) ?
Au8 Au12 Au3 . . 62.23(5) ?
Au2 Au12 Au3 . . 63.73(4) ?
Au11 Au12 Au5 . . 63.48(5) ?
Au13 Au12 Au5 . . 115.43(6) ?
Au10 Au12 Au5 . . 61.78(5) ?
Au8 Au12 Au5 . . 178.04(7) ?
Au2 Au12 Au5 . . 118.18(6) ?
Au3 Au12 Au5 . . 117.13(6) ?
Au11 Au12 Au1 . . 64.21(4) ?
Au13 Au12 Au1 . . 115.72(6) ?
Au10 Au12 Au1 . . 115.47(6) ?
Au8 Au12 Au1 . . 117.73(6) ?
Au2 Au12 Au1 . . 63.77(4) ?
Au3 Au12 Au1 . . 116.92(5) ?
Au5 Au12 Au1 . . 64.22(5) ?
Au11 Au12 Au9 . . 115.47(6) ?
Au13 Au12 Au9 . . 64.58(5) ?
Au10 Au12 Au9 . . 63.62(5) ?
Au8 Au12 Au9 . . 63.36(5) ?
Au2 Au12 Au9 . . 117.15(6) ?
Au3 Au12 Au9 . . 63.47(4) ?
Au5 Au12 Au9 . . 114.68(6) ?
Au1 Au12 Au9 . . 178.90(7) ?
Au11 Au12 Au7 . . 116.94(6) ?
Au13 Au12 Au7 . . 63.66(5) ?
Au10 Au12 Au7 . . 116.91(6) ?
Au8 Au12 Au7 . . 64.48(5) ?
Au2 Au12 Au7 . . 61.93(5) ?
Au3 Au12 Au7 . . 115.74(6) ?
Au5 Au12 Au7 . . 117.13(6) ?
Au1 Au12 Au7 . . 63.08(5) ?
Au9 Au12 Au7 . . 117.80(6) ?
Au11 Au12 Au4 . . 63.59(5) ?
Au13 Au12 Au4 . . 115.81(6) ?
Au10 Au12 Au4 . . 62.95(5) ?
Au8 Au12 Au4 . . 114.90(6) ?
Au2 Au12 Au4 . . 118.22(6) ?
Au3 Au12 Au4 . . 63.98(5) ?
Au5 Au12 Au4 . . 63.47(5) ?
Au1 Au12 Au4 . . 117.63(6) ?
Au9 Au12 Au4 . . 61.50(5) ?
Au7 Au12 Au4 . . 179.29(7) ?
Au11 Au12 Au6 . . 115.48(6) ?
Au13 Au12 Au6 . . 63.82(5) ?
Au10 Au12 Au6 . . 63.86(5) ?
Au8 Au12 Au6 . . 117.70(6) ?
Au2 Au12 Au6 . . 114.95(6) ?
Au3 Au12 Au6 . . 178.63(7) ?
Au5 Au12 Au6 . . 62.99(5) ?
Au1 Au12 Au6 . . 61.81(4) ?
Au9 Au12 Au6 . . 117.82(6) ?
Au7 Au12 Au6 . . 63.39(5) ?
Au4 Au12 Au6 . . 116.90(6) ?
Cl2 Au13 Au12 . . 179.5(3) ?
Cl2 Au13 Au10 . . 121.0(3) ?
Au12 Au13 Au10 . . 59.11(5) ?
Cl2 Au13 Au7 . . 119.9(3) ?
Au12 Au13 Au7 . . 59.74(4) ?
Au10 Au13 Au7 . . 109.95(6) ?
Cl2 Au13 Au8 . . 121.1(3) ?
Au12 Au13 Au8 . . 59.12(4) ?
Au10 Au13 Au8 . . 108.96(5) ?
Au7 Au13 Au8 . . 61.56(4) ?
Cl2 Au13 Au6 . . 119.7(3) ?
Au12 Au13 Au6 . . 59.89(4) ?
Au10 Au13 Au6 . . 61.10(5) ?
Au7 Au13 Au6 . . 60.85(5) ?
Au8 Au13 Au6 . . 110.37(5) ?
Cl2 Au13 Au9 . . 121.3(3) ?
Au12 Au13 Au9 . . 59.19(4) ?
Au10 Au13 Au9 . . 60.40(5) ?
Au7 Au13 Au9 . . 110.10(5) ?
Au8 Au13 Au9 . . 60.05(5) ?
Au6 Au13 Au9 . . 110.14(6) ?
C1B P1 C1A . . 103.7(14) ?
C1B P1 C1V . . 104.4(15) ?
C1A P1 C1V . . 109.2(14) ?
C1B P1 Au1 . . 119.6(10) ?
C1A P1 Au1 . . 112.3(10) ?
C1V P1 Au1 . . 107.1(11) ?
C1C P2 C1D . . 105.0(11) ?
C1C P2 C1W . . 104.8(14) ?
C1D P2 C1W . . 107.1(14) ?
C1C P2 Au2 . . 111.4(9) ?
C1D P2 Au2 . . 119.1(8) ?
C1W P2 Au2 . . 108.5(12) ?
C1F P3 C1E . . 107.2(12) ?
C1F P3 C1X . . 104.9(14) ?
C1E P3 C1X . . 107.3(12) ?
C1F P3 Au3 . . 117.3(9) ?
C1E P3 Au3 . . 112.8(7) ?
C1X P3 Au3 . . 106.7(10) ?
C1H P4 C1G . . 103.7(16) ?
C1H P4 C1Y . . 107.3(17) ?
C1G P4 C1Y . . 109.2(15) ?
C1H P4 Au4 . . 119.1(11) ?
C1G P4 Au4 . . 112.7(12) ?
C1Y P4 Au4 . . 104.5(13) ?
C1J P5 C1Z . . 123.(2) ?
C1J P5 C1I . . 109.(2) ?
C1Z P5 C1I . . 91.(2) ?
C1J P5 Au5 . . 117.0(15) ?
C1Z P5 Au5 . . 106.2(18) ?
C1I P5 Au5 . . 107.9(18) ?
C1L P6 C1K . . 105.3(12) ?
C1L P6 C2V . . 108.5(14) ?
C1K P6 C2V . . 105.1(13) ?
C1L P6 Au6 . . 121.8(10) ?
C1K P6 Au6 . . 110.2(8) ?
C2V P6 Au6 . . 104.8(10) ?
C1N P7 C1M . . 105.1(14) ?
C1N P7 C2W . . 106.4(16) ?
C1M P7 C2W . . 109.2(14) ?
C1N P7 Au7 . . 119.4(10) ?
C1M P7 Au7 . . 110.6(10) ?
C2W P7 Au7 . . 105.7(12) ?
C1P P8 C1O . . 108.0(14) ?
C1P P8 C2X . . 102.7(17) ?
C1O P8 C2X . . 106.1(12) ?
C1P P8 Au8 . . 120.0(12) ?
C1O P8 Au8 . . 111.9(8) ?
C2X P8 Au8 . . 106.9(11) ?
C1R P9 C1Q . . 104.1(14) ?
C1R P9 C2Y . . 110.7(15) ?
C1Q P9 C2Y . . 110.8(16) ?
C1R P9 Au9 . . 115.9(9) ?
C1Q P9 Au9 . . 109.5(11) ?
C2Y P9 Au9 . . 105.8(12) ?
C1S P10 C1T . . 105.5(17) ?
C1S P10 C2Z . . 99.4(18) ?
C1T P10 C2Z . . 113.(2) ?
C1S P10 Au10 . . 111.0(11) ?
C1T P10 Au10 . . 119.1(12) ?
C2Z P10 Au10 . . 107.1(16) ?
C2V C1V P1 . . 111.0(18) ?
C2V C1V H1VA . . 109.4 ?
P1 C1V H1VA . . 109.4 ?
C2V C1V H1VB . . 109.4 ?
P1 C1V H1VB . . 109.4 ?
H1VA C1V H1VB . . 108.0 ?
C1V C2V P6 . . 114.(2) ?
C1V C2V H2VA . . 108.8 ?
P6 C2V H2VA . . 108.8 ?
C1V C2V H2VB . . 108.8 ?
P6 C2V H2VB . . 108.8 ?
H2VA C2V H2VB . . 107.7 ?
C2W C1W P2 . . 110.(2) ?
C2W C1W H1WA . . 109.6 ?
P2 C1W H1WA . . 109.6 ?
C2W C1W H1WB . . 109.6 ?
P2 C1W H1WB . . 109.6 ?
H1WA C1W H1WB . . 108.1 ?
C1W C2W P7 . . 115.(2) ?
C1W C2W H2WA . . 108.6 ?
P7 C2W H2WA . . 108.6 ?
C1W C2W H2WB . . 108.6 ?
P7 C2W H2WB . . 108.6 ?
H2WA C2W H2WB . . 107.5 ?
C2X C1X P3 . . 111.(2) ?
C2X C1X H1XA . . 109.4 ?
P3 C1X H1XA . . 109.4 ?
C2X C1X H1XB . . 109.4 ?
P3 C1X H1XB . . 109.4 ?
H1XA C1X H1XB . . 108.0 ?
C1X C2X P8 . . 113.(2) ?
C1X C2X H2XA . . 108.9 ?
P8 C2X H2XA . . 108.9 ?
C1X C2X H2XB . . 108.9 ?
P8 C2X H2XB . . 108.9 ?
H2XA C2X H2XB . . 107.7 ?
C2Y C1Y P4 . . 109.(2) ?
C2Y C1Y H1YA . . 109.8 ?
P4 C1Y H1YA . . 109.8 ?
C2Y C1Y H1YB . . 109.8 ?
P4 C1Y H1YB . . 109.8 ?
H1YA C1Y H1YB . . 108.3 ?
C1Y C2Y P9 . . 107.(2) ?
C1Y C2Y H2YA . . 110.2 ?
P9 C2Y H2YA . . 110.2 ?
C1Y C2Y H2YB . . 110.2 ?
P9 C2Y H2YB . . 110.2 ?
H2YA C2Y H2YB . . 108.5 ?
C2Z C1Z P5 . . 108.(3) ?
C2Z C1Z H1ZA . . 110.1 ?
P5 C1Z H1ZA . . 110.1 ?
C2Z C1Z H1ZB . . 110.1 ?
P5 C1Z H1ZB . . 110.1 ?
H1ZA C1Z H1ZB . . 108.4 ?
C1Z C2Z P10 . . 115.(3) ?
C1Z C2Z H2ZA . . 108.6 ?
P10 C2Z H2ZA . . 108.6 ?
C1Z C2Z H2ZB . . 108.6 ?
P10 C2Z H2ZB . . 108.6 ?
H2ZA C2Z H2ZB . . 107.6 ?
C2A C1A C6A . . 120.0 ?
C2A C1A P1 . . 116.9(16) ?
C6A C1A P1 . . 123.0(16) ?
C1A C2A C3A . . 120.0 ?
C1A C2A H2A . . 120.0 ?
C3A C2A H2A . . 120.0 ?
C4A C3A C2A . . 120.0 ?
C4A C3A H3A . . 120.0 ?
C2A C3A H3A . . 120.0 ?
C5A C4A C3A . . 120.0 ?
C5A C4A H4A . . 120.0 ?
C3A C4A H4A . . 120.0 ?
C4A C5A C6A . . 120.0 ?
C4A C5A H5A . . 120.0 ?
C6A C5A H5A . . 120.0 ?
O6A C6A C5A . . 125.(2) ?
O6A C6A C1A . . 114.(2) ?
C5A C6A C1A . . 120.0 ?
C6A O6A C7A . . 119.(4) ?
O6A C7A H7AA . . 109.5 ?
O6A C7A H7AB . . 109.5 ?
H7AA C7A H7AB . . 109.5 ?
O6A C7A H7AC . . 109.5 ?
H7AA C7A H7AC . . 109.5 ?
H7AB C7A H7AC . . 109.5 ?
C2B C1B C6B . . 120.0 ?
C2B C1B P1 . . 113.3(17) ?
C6B C1B P1 . . 126.4(17) ?
C1B C2B C3B . . 120.0 ?
C1B C2B H2B . . 120.0 ?
C3B C2B H2B . . 120.0 ?
C2B C3B C4B . . 120.0 ?
C2B C3B H3B . . 120.0 ?
C4B C3B H3B . . 120.0 ?
C3B C4B C5B . . 120.0 ?
C3B C4B H4B . . 120.0 ?
C5B C4B H4B . . 120.0 ?
C6B C5B C4B . . 120.0 ?
C6B C5B H5B . . 120.0 ?
C4B C5B H5B . . 120.0 ?
C5B C6B C1B . . 120.0 ?
C5B C6B H6B . . 120.0 ?
C1B C6B H6B . . 120.0 ?
C2C C1C C6C . . 120.0 ?
C2C C1C P2 . . 114.0(15) ?
C6C C1C P2 . . 126.0(15) ?
C3C C2C C1C . . 120.0 ?
C3C C2C H2C . . 120.0 ?
C1C C2C H2C . . 120.0 ?
C2C C3C C4C . . 120.0 ?
C2C C3C H3C . . 120.0 ?
C4C C3C H3C . . 120.0 ?
C3C C4C C5C . . 120.0 ?
C3C C4C H4C . . 120.0 ?
C5C C4C H4C . . 120.0 ?
C6C C5C C4C . . 120.0 ?
C6C C5C H5C . . 120.0 ?
C4C C5C H5C . . 120.0 ?
O6C C6C C5C . . 123.(2) ?
O6C C6C C1C . . 117.(2) ?
C5C C6C C1C . . 120.0 ?
C6C O6C C7C . . 118.(3) ?
O6C C7C H7CA . . 109.5 ?
O6C C7C H7CB . . 109.5 ?
H7CA C7C H7CB . . 109.5 ?
O6C C7C H7CC . . 109.5 ?
H7CA C7C H7CC . . 109.5 ?
H7CB C7C H7CC . . 109.5 ?
C2D C1D C6D . . 120.0 ?
C2D C1D P2 . . 117.3(13) ?
C6D C1D P2 . . 122.7(13) ?
C3D C2D C1D . . 120.0 ?
C3D C2D H2D . . 120.0 ?
C1D C2D H2D . . 120.0 ?
C2D C3D C4D . . 120.0 ?
C2D C3D H3D . . 120.0 ?
C4D C3D H3D . . 120.0 ?
C5D C4D C3D . . 120.0 ?
C5D C4D H4D . . 120.0 ?
C3D C4D H4D . . 120.0 ?
C4D C5D C6D . . 120.0 ?
C4D C5D H5D . . 120.0 ?
C6D C5D H5D . . 120.0 ?
C5D C6D C1D . . 120.0 ?
C5D C6D H6D . . 120.0 ?
C1D C6D H6D . . 120.0 ?
C2E C1E C6E . . 120.0 ?
C2E C1E P3 . . 116.1(12) ?
C6E C1E P3 . . 123.9(12) ?
C3E C2E C1E . . 120.0 ?
C3E C2E H2E . . 120.0 ?
C1E C2E H2E . . 120.0 ?
C2E C3E C4E . . 120.0 ?
C2E C3E H3E . . 120.0 ?
C4E C3E H3E . . 120.0 ?
C5E C4E C3E . . 120.0 ?
C5E C4E H4E . . 120.0 ?
C3E C4E H4E . . 120.0 ?
C6E C5E C4E . . 120.0 ?
C6E C5E H5E . . 120.0 ?
C4E C5E H5E . . 120.0 ?
O6E C6E C5E . . 125.6(19) ?
O6E C6E C1E . . 114.4(19) ?
C5E C6E C1E . . 120.0 ?
C6E O6E C7E . . 112.(3) ?
O6E C7E H7EA . . 109.5 ?
O6E C7E H7EB . . 109.5 ?
H7EA C7E H7EB . . 109.5 ?
O6E C7E H7EC . . 109.5 ?
H7EA C7E H7EC . . 109.5 ?
H7EB C7E H7EC . . 109.5 ?
C2F C1F C6F . . 120.0 ?
C2F C1F P3 . . 113.8(15) ?
C6F C1F P3 . . 126.1(15) ?
C3F C2F C1F . . 120.0 ?
C3F C2F H2F . . 120.0 ?
C1F C2F H2F . . 120.0 ?
C4F C3F C2F . . 120.0 ?
C4F C3F H3F . . 120.0 ?
C2F C3F H3F . . 120.0 ?
C3F C4F C5F . . 120.0 ?
C3F C4F H4F . . 120.0 ?
C5F C4F H4F . . 120.0 ?
C6F C5F C4F . . 120.0 ?
C6F C5F H5F . . 120.0 ?
C4F C5F H5F . . 120.0 ?
C5F C6F C1F . . 120.0 ?
C5F C6F H6F . . 120.0 ?
C1F C6F H6F . . 120.0 ?
C2G C1G C6G . . 120.0 ?
C2G C1G P4 . . 114.4(19) ?
C6G C1G P4 . . 125.5(19) ?
C3G C2G C1G . . 120.0 ?
C3G C2G H2G . . 120.0 ?
C1G C2G H2G . . 120.0 ?
C2G C3G C4G . . 120.0 ?
C2G C3G H3G . . 120.0 ?
C4G C3G H3G . . 120.0 ?
C5G C4G C3G . . 120.0 ?
C5G C4G H4G . . 120.0 ?
C3G C4G H4G . . 120.0 ?
C4G C5G C6G . . 120.0 ?
C4G C5G H5G . . 120.0 ?
C6G C5G H5G . . 120.0 ?
O6G C6G C5G . . 127.(3) ?
O6G C6G C1G . . 113.(3) ?
C5G C6G C1G . . 120.0 ?
C6G O6G C7G . . 117.(4) ?
O6G C7G H7GA . . 109.5 ?
O6G C7G H7GB . . 109.5 ?
H7GA C7G H7GB . . 109.5 ?
O6G C7G H7GC . . 109.5 ?
H7GA C7G H7GC . . 109.5 ?
H7GB C7G H7GC . . 109.5 ?
C2H C1H C6H . . 120.0 ?
C2H C1H P4 . . 117.9(19) ?
C6H C1H P4 . . 122.1(19) ?
C1H C2H C3H . . 120.0 ?
C1H C2H H2H . . 120.0 ?
C3H C2H H2H . . 120.0 ?
C4H C3H C2H . . 120.0 ?
C4H C3H H3H . . 120.0 ?
C2H C3H H3H . . 120.0 ?
C3H C4H C5H . . 120.0 ?
C3H C4H H4H . . 120.0 ?
C5H C4H H4H . . 120.0 ?
C6H C5H C4H . . 120.0 ?
C6H C5H H5H . . 120.0 ?
C4H C5H H5H . . 120.0 ?
C5H C6H C1H . . 120.0 ?
C5H C6H H6H . . 120.0 ?
C1H C6H H6H . . 120.0 ?
C2I C1I C6I . . 120.0 ?
C2I C1I P5 . . 113.(3) ?
C6I C1I P5 . . 126.(3) ?
C1I C2I C3I . . 120.0 ?
C1I C2I H2I . . 120.0 ?
C3I C2I H2I . . 120.0 ?
C4I C3I C2I . . 120.0 ?
C4I C3I H3I . . 120.0 ?
C2I C3I H3I . . 120.0 ?
C3I C4I C5I . . 120.0 ?
C3I C4I H4I . . 120.0 ?
C5I C4I H4I . . 120.0 ?
C4I C5I C6I . . 120.0 ?
C4I C5I H5I . . 120.0 ?
C6I C5I H5I . . 120.0 ?
O6I C6I C5I . . 135.(5) ?
O6I C6I C1I . . 103.(5) ?
C5I C6I C1I . . 120.0 ?
C6I O6I C7I . . 95.(5) ?
O6I C7I H7IA . . 109.5 ?
O6I C7I H7IB . . 109.5 ?
H7IA C7I H7IB . . 109.5 ?
O6I C7I H7IC . . 109.5 ?
H7IA C7I H7IC . . 109.5 ?
H7IB C7I H7IC . . 109.5 ?
C2J C1J C6J . . 120.0 ?
C2J C1J P5 . . 103.(3) ?
C6J C1J P5 . . 137.(3) ?
C3J C2J C1J . . 120.0 ?
C3J C2J H2J . . 120.0 ?
C1J C2J H2J . . 120.0 ?
C4J C3J C2J . . 120.0 ?
C4J C3J H3J . . 120.0 ?
C2J C3J H3J . . 120.0 ?
C5J C4J C3J . . 120.0 ?
C5J C4J H4J . . 120.0 ?
C3J C4J H4J . . 120.0 ?
C4J C5J C6J . . 120.0 ?
C4J C5J H5J . . 120.0 ?
C6J C5J H5J . . 120.0 ?
C5J C6J C1J . . 120.0 ?
C5J C6J H6J . . 120.0 ?
C1J C6J H6J . . 120.0 ?
C2K C1K C6K . . 120.0 ?
C2K C1K P6 . . 119.1(14) ?
C6K C1K P6 . . 120.9(14) ?
C3K C2K C1K . . 120.0 ?
C3K C2K H2K . . 120.0 ?
C1K C2K H2K . . 120.0 ?
C2K C3K C4K . . 120.0 ?
C2K C3K H3K . . 120.0 ?
C4K C3K H3K . . 120.0 ?
C5K C4K C3K . . 120.0 ?
C5K C4K H4K . . 120.0 ?
C3K C4K H4K . . 120.0 ?
C4K C5K C6K . . 120.0 ?
C4K C5K H5K . . 120.0 ?
C6K C5K H5K . . 120.0 ?
C5K C6K C1K . . 120.0 ?
C5K C6K O6K . . 123.5(19) ?
C1K C6K O6K . . 116.5(19) ?
C6K O6K C7K . . 121.(3) ?
O6K C7K H7KA . . 109.5 ?
O6K C7K H7KB . . 109.5 ?
H7KA C7K H7KB . . 109.5 ?
O6K C7K H7KC . . 109.5 ?
H7KA C7K H7KC . . 109.5 ?
H7KB C7K H7KC . . 109.5 ?
C2L C1L C6L . . 120.0 ?
C2L C1L P6 . . 116.7(14) ?
C6L C1L P6 . . 123.0(14) ?
C1L C2L C3L . . 120.0 ?
C1L C2L H2L . . 120.0 ?
C3L C2L H2L . . 120.0 ?
C4L C3L C2L . . 120.0 ?
C4L C3L H3L . . 120.0 ?
C2L C3L H3L . . 120.0 ?
C3L C4L C5L . . 120.0 ?
C3L C4L H4L . . 120.0 ?
C5L C4L H4L . . 120.0 ?
C6L C5L C4L . . 120.0 ?
C6L C5L H5L . . 120.0 ?
C4L C5L H5L . . 120.0 ?
C5L C6L C1L . . 120.0 ?
C5L C6L H6L . . 120.0 ?
C1L C6L H6L . . 120.0 ?
C2M C1M C6M . . 120.0 ?
C2M C1M P7 . . 118.4(16) ?
C6M C1M P7 . . 121.5(16) ?
C1M C2M C3M . . 120.0 ?
C1M C2M H2M . . 120.0 ?
C3M C2M H2M . . 120.0 ?
C2M C3M C4M . . 120.0 ?
C2M C3M H3M . . 120.0 ?
C4M C3M H3M . . 120.0 ?
C3M C4M C5M . . 120.0 ?
C3M C4M H4M . . 120.0 ?
C5M C4M H4M . . 120.0 ?
C4M C5M C6M . . 120.0 ?
C4M C5M H5M . . 120.0 ?
C6M C5M H5M . . 120.0 ?
C5M C6M C1M . . 120.0 ?
C5M C6M O6M . . 126.(2) ?
C1M C6M O6M . . 113.(2) ?
C6M O6M C7M . . 117.(3) ?
O6M C7M H7MA . . 109.5 ?
O6M C7M H7MB . . 109.5 ?
H7MA C7M H7MB . . 109.5 ?
O6M C7M H7MC . . 109.5 ?
H7MA C7M H7MC . . 109.5 ?
H7MB C7M H7MC . . 109.5 ?
C2N C1N C6N . . 120.0 ?
C2N C1N P7 . . 117.2(17) ?
C6N C1N P7 . . 122.7(17) ?
C1N C2N C3N . . 120.0 ?
C1N C2N H2N . . 120.0 ?
C3N C2N H2N . . 120.0 ?
C2N C3N C4N . . 120.0 ?
C2N C3N H3N . . 120.0 ?
C4N C3N H3N . . 120.0 ?
C5N C4N C3N . . 120.0 ?
C5N C4N H4N . . 120.0 ?
C3N C4N H4N . . 120.0 ?
C4N C5N C6N . . 120.0 ?
C4N C5N H5N . . 120.0 ?
C6N C5N H5N . . 120.0 ?
C5N C6N C1N . . 120.0 ?
C5N C6N H6N . . 120.0 ?
C1N C6N H6N . . 120.0 ?
C2O C1O C6O . . 120.0 ?
C2O C1O P8 . . 117.8(13) ?
C6O C1O P8 . . 121.6(13) ?
C1O C2O C3O . . 120.0 ?
C1O C2O H2O . . 120.0 ?
C3O C2O H2O . . 120.0 ?
C4O C3O C2O . . 120.0 ?
C4O C3O H3O . . 120.0 ?
C2O C3O H3O . . 120.0 ?
C3O C4O C5O . . 120.0 ?
C3O C4O H4O . . 120.0 ?
C5O C4O H4O . . 120.0 ?
C6O C5O C4O . . 120.0 ?
C6O C5O H5O . . 120.0 ?
C4O C5O H5O . . 120.0 ?
O6O C6O C5O . . 124.4(19) ?
O6O C6O C1O . . 116.(2) ?
C5O C6O C1O . . 120.0 ?
C6O O6O C7O . . 115.(3) ?
O6O C7O H7OA . . 109.5 ?
O6O C7O H7OB . . 109.5 ?
H7OA C7O H7OB . . 109.5 ?
O6O C7O H7OC . . 109.5 ?
H7OA C7O H7OC . . 109.5 ?
H7OB C7O H7OC . . 109.5 ?
C2P C1P C6P . . 120.0 ?
C2P C1P P8 . . 115.(2) ?
C6P C1P P8 . . 125.(2) ?
C3P C2P C1P . . 120.0 ?
C3P C2P H2P . . 120.0 ?
C1P C2P H2P . . 120.0 ?
C2P C3P C4P . . 120.0 ?
C2P C3P H3P . . 120.0 ?
C4P C3P H3P . . 120.0 ?
C5P C4P C3P . . 120.0 ?
C5P C4P H4P . . 120.0 ?
C3P C4P H4P . . 120.0 ?
C4P C5P C6P . . 120.0 ?
C4P C5P H5P . . 120.0 ?
C6P C5P H5P . . 120.0 ?
C5P C6P C1P . . 120.0 ?
C5P C6P H6P . . 120.0 ?
C1P C6P H6P . . 120.0 ?
C2Q C1Q C6Q . . 120.0 ?
C2Q C1Q P9 . . 118.(2) ?
C6Q C1Q P9 . . 121.3(19) ?
C3Q C2Q C1Q . . 120.0 ?
C3Q C2Q H2Q . . 120.0 ?
C1Q C2Q H2Q . . 120.0 ?
C4Q C3Q C2Q . . 120.0 ?
C4Q C3Q H3Q . . 120.0 ?
C2Q C3Q H3Q . . 120.0 ?
C5Q C4Q C3Q . . 120.0 ?
C5Q C4Q H4Q . . 120.0 ?
C3Q C4Q H4Q . . 120.0 ?
C4Q C5Q C6Q . . 120.0 ?
C4Q C5Q H5Q . . 120.0 ?
C6Q C5Q H5Q . . 120.0 ?
O6Q C6Q C5Q . . 121.(3) ?
O6Q C6Q C1Q . . 119.(3) ?
C5Q C6Q C1Q . . 120.0 ?
C6Q O6Q C7Q . . 124.(4) ?
O6Q C7Q H7QA . . 109.5 ?
O6Q C7Q H7QB . . 109.5 ?
H7QA C7Q H7QB . . 109.5 ?
O6Q C7Q H7QC . . 109.5 ?
H7QA C7Q H7QC . . 109.5 ?
H7QB C7Q H7QC . . 109.5 ?
C2R C1R C6R . . 120.0 ?
C2R C1R P9 . . 121.9(16) ?
C6R C1R P9 . . 118.0(16) ?
C3R C2R C1R . . 120.0 ?
C3R C2R H2R . . 120.0 ?
C1R C2R H2R . . 120.0 ?
C2R C3R C4R . . 120.0 ?
C2R C3R H3R . . 120.0 ?
C4R C3R H3R . . 120.0 ?
C3R C4R C5R . . 120.0 ?
C3R C4R H4R . . 120.0 ?
C5R C4R H4R . . 120.0 ?
C6R C5R C4R . . 120.0 ?
C6R C5R H5R . . 120.0 ?
C4R C5R H5R . . 120.0 ?
C5R C6R C1R . . 120.0 ?
C5R C6R H6R . . 120.0 ?
C1R C6R H6R . . 120.0 ?
C2S C1S C6S . . 120.0 ?
C2S C1S P10 . . 119.3(16) ?
C6S C1S P10 . . 120.7(16) ?
C1S C2S C3S . . 120.0 ?
C1S C2S H2S . . 120.0 ?
C3S C2S H2S . . 120.0 ?
C4S C3S C2S . . 120.0 ?
C4S C3S H3S . . 120.0 ?
C2S C3S H3S . . 120.0 ?
C5S C4S C3S . . 120.0 ?
C5S C4S H4S . . 120.0 ?
C3S C4S H4S . . 120.0 ?
C4S C5S C6S . . 120.0 ?
C4S C5S H5S . . 120.0 ?
C6S C5S H5S . . 120.0 ?
O6S C6S C5S . . 120.(2) ?
O6S C6S C1S . . 120.(2) ?
C5S C6S C1S . . 120.0 ?
C6S O6S C7S . . 121.(4) ?
O6S C7S H7SA . . 109.5 ?
O6S C7S H7SB . . 109.5 ?
H7SA C7S H7SB . . 109.5 ?
O6S C7S H7SC . . 109.5 ?
H7SA C7S H7SC . . 109.5 ?
H7SB C7S H7SC . . 109.5 ?
C2T C1T C6T . . 120.0 ?
C2T C1T P10 . . 110.(3) ?
C6T C1T P10 . . 130.(3) ?
C3T C2T C1T . . 120.0 ?
C3T C2T H2T . . 120.0 ?
C1T C2T H2T . . 120.0 ?
C4T C3T C2T . . 120.0 ?
C4T C3T H3T . . 120.0 ?
C2T C3T H3T . . 120.0 ?
C3T C4T C5T . . 120.0 ?
C3T C4T H4T . . 120.0 ?
C5T C4T H4T . . 120.0 ?
C6T C5T C4T . . 120.0 ?
C6T C5T H5T . . 120.0 ?
C4T C5T H5T . . 120.0 ?
C5T C6T C1T . . 120.0 ?
C5T C6T H6T . . 120.0 ?
C1T C6T H6T . . 120.0 ?
F6A P1A F4A . . 90.5(10) ?
F6A P1A F5A . . 179.4(14) ?
F4A P1A F5A . . 90.1(11) ?
F6A P1A F1A . . 90.0(11) ?
F4A P1A F1A . . 89.6(10) ?
F5A P1A F1A . . 90.0(10) ?
F6A P1A F3A . . 90.0(10) ?
F4A P1A F3A . . 90.5(10) ?
F5A P1A F3A . . 90.0(11) ?
F1A P1A F3A . . 179.9(16) ?
F6A P1A F2A . . 89.9(10) ?
F4A P1A F2A . . 179.5(13) ?
F5A P1A F2A . . 89.5(10) ?
F1A P1A F2A . . 89.9(10) ?
F3A P1A F2A . . 89.9(10) ?
F1B P1B F2B . . 90.9(10) ?
F1B P1B F6B . . 90.5(10) ?
F2B P1B F6B . . 90.5(10) ?
F1B P1B F4B . . 90.2(10) ?
F2B P1B F4B . . 178.8(13) ?
F6B P1B F4B . . 90.0(10) ?
F1B P1B F5B . . 90.2(10) ?
F2B P1B F5B . . 89.8(10) ?
F6B P1B F5B . . 179.1(14) ?
F4B P1B F5B . . 89.6(10) ?
F1B P1B F3B . . 179.2(13) ?
F2B P1B F3B . . 89.5(10) ?
F6B P1B F3B . . 90.2(10) ?
F4B P1B F3B . . 89.4(10) ?
F5B P1B F3B . . 89.0(10) ?
F4C P1C F3C . . 90.3(11) ?
F4C P1C F5C . . 90.6(11) ?
F3C P1C F5C . . 90.0(11) ?
F4C P1C F1C . . 90.8(11) ?
F3C P1C F1C . . 178.9(14) ?
F5C P1C F1C . . 90.0(11) ?
F4C P1C F6C . . 90.3(11) ?
F3C P1C F6C . . 90.1(11) ?
F5C P1C F6C . . 179.1(14) ?
F1C P1C F6C . . 89.9(11) ?
F4C P1C F2C . . 179.7(16) ?
F3C P1C F2C . . 89.6(11) ?
F5C P1C F2C . . 89.6(11) ?
F1C P1C F2C . . 89.3(11) ?
F6C P1C F2C . . 89.4(11) ?



