# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2307548'
loop_
_audit_author_name
_audit_author_address
'Chen Zhu'
;Anhui University
China
;
_audit_update_record             
;
2025-04-10 deposited with the CCDC.	2025-05-06 downloaded from the CCDC.
;
_audit_creation_date             2025-04-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C148 H122 Au15 O3 P6 S4, C24 H20 B, 1.99[C6H14], 0.65[C6H14]'
_chemical_formula_sum            'C172 H142 Au15 B O3 P6 S4'
_chemical_formula_weight         5536.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.8358(8)
_cell_length_b                   21.2426(11)
_cell_length_c                   24.1864(11)
_cell_angle_alpha                84.400(4)
_cell_angle_beta                 77.881(4)
_cell_angle_gamma                89.447(4)
_cell_volume                     8416.3(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    23157
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.01
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   0.187
_shelx_estimated_absorpt_T_min   0.187
_exptl_absorpt_coefficient_mu    25.265
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             5084
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_unetI/netI     0.1014
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            64768
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        62.500
_diffrn_reflns_theta_max         62.500
_diffrn_reflns_theta_min         4.134
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      '1936 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16339
_reflns_number_total             26129
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_collection       'X-Area Pilatus3_SV 1.31.186.0 (STOE, 2022)'
_computing_data_reduction        
;
X-Area Integrate 2.5.3.0 (STOE, 2021)
X-Area LANA 2.7.5.0 (STOE, 2022)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.785
_refine_diff_density_min         -5.701
_refine_diff_density_rms         0.439
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1442
_refine_ls_number_reflns         26129
_refine_ls_number_restraints     2075
_refine_ls_R_factor_all          0.1051
_refine_ls_R_factor_gt           0.0729
_refine_ls_restrained_S_all      0.913
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1245P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1778
_refine_ls_wR_factor_ref         0.1993
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C97-C95
 1.4 with sigma of 0.001
 H03E-H01C
 2.5 with sigma of 0.01
 H01C-H03E
 2.4 with sigma of 0.01
 H95C-H96
 2.4 with sigma of 0.01
3. Rigid bond restraints
 S1, C43
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C43, S1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
C00T \\sim C00U \\sim C00V \\sim C00W \\sim C00X \\sim C00Y \\sim C00Z \\sim
C010 \\sim C011 \\sim C012 \\sim C013 \\sim C014 \\sim C015 \\sim C016 \\sim
C017 \\sim C019 \\sim C01A \\sim C01B \\sim C01C \\sim C01D \\sim C01G \\sim
C01H \\sim C01I \\sim C01J \\sim C01K \\sim C01L \\sim C01M \\sim C01N \\sim
C01O \\sim C01Q \\sim C01R \\sim C01S \\sim C01T \\sim C01U \\sim C01V \\sim
C01W \\sim C01Y \\sim C01Z \\sim C020 \\sim C021 \\sim C022 \\sim C023 \\sim
C025 \\sim C027 \\sim C028 \\sim C029 \\sim C02A \\sim C02B \\sim C02D \\sim
C02E \\sim C02F \\sim C02G \\sim C02J \\sim C02K \\sim C02L \\sim C02M \\sim
C02N \\sim C02P \\sim C02Q \\sim C02R \\sim C02S \\sim C02T \\sim C02U \\sim
C02W \\sim C02X \\sim C02Y \\sim C030 \\sim C032 \\sim C033 \\sim C034 \\sim
C035 \\sim C036 \\sim C037 \\sim C038 \\sim C039 \\sim C03A \\sim C03B \\sim
C03C \\sim C03D \\sim C03E \\sim C03F \\sim C03G \\sim C03H \\sim C03J \\sim
C03L \\sim C03M \\sim C03O \\sim C03P \\sim C03Q \\sim C03R \\sim C03S \\sim
C03U \\sim C03W \\sim C03X \\sim C03Y \\sim C041 \\sim C042 \\sim C043 \\sim
C044 \\sim C048 \\sim C049 \\sim C04A \\sim C04B \\sim C04D \\sim C04E \\sim
C04F \\sim C04G \\sim C04H \\sim C04K \\sim C04L \\sim C04N \\sim C04O \\sim
C04R \\sim C04U \\sim C04V \\sim C04X \\sim C04Z \\sim C050 \\sim C051 \\sim
C056 \\sim C058 \\sim C05C \\sim C05D \\sim C05E \\sim C05G \\sim C05I \\sim
C05Q \\sim C89 \\sim C92 \\sim C69 \\sim C3 \\sim C90 \\sim C83 \\sim C60 \\sim
C4 \\sim C7 \\sim C24 \\sim C48 \\sim C5 \\sim C87 \\sim C12 \\sim C29 \\sim
C40 \\sim C41 \\sim C63 \\sim C6 \\sim C56 \\sim C10 \\sim C49 \\sim C53 \\sim
C64 \\sim C76 \\sim C77 \\sim C36 \\sim C1 \\sim C2 \\sim C13 \\sim C15 \\sim
C22 \\sim C59 \\sim C79 \\sim C11 \\sim C32 \\sim C14 \\sim C20 \\sim C95 \\sim
C97 \\sim C82 \\sim C45 \\sim C43 \\sim C50 \\sim C96: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C00T) \\sim Ueq, Uanis(C00U) \\sim Ueq, Uanis(C00V) \\sim Ueq,
Uanis(C00W) \\sim Ueq, Uanis(C00X) \\sim Ueq, Uanis(C00Y) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C010) \\sim Ueq, Uanis(C011) \\sim Ueq,
Uanis(C012) \\sim Ueq, Uanis(C013) \\sim Ueq, Uanis(C014) \\sim Ueq,
Uanis(C015) \\sim Ueq, Uanis(C016) \\sim Ueq, Uanis(C017) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(C01B) \\sim Ueq,
Uanis(C01C) \\sim Ueq, Uanis(C01D) \\sim Ueq, Uanis(C01G) \\sim Ueq,
Uanis(C01H) \\sim Ueq, Uanis(C01I) \\sim Ueq, Uanis(C01J) \\sim Ueq,
Uanis(C01K) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C01Q) \\sim Ueq,
Uanis(C01R) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C01T) \\sim Ueq,
Uanis(C01U) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01W) \\sim Ueq,
Uanis(C01Y) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C025) \\sim Ueq, Uanis(C027) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq, Uanis(C02B) \\sim Ueq,
Uanis(C02D) \\sim Ueq, Uanis(C02E) \\sim Ueq, Uanis(C02F) \\sim Ueq,
Uanis(C02G) \\sim Ueq, Uanis(C02J) \\sim Ueq, Uanis(C02K) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C02N) \\sim Ueq,
Uanis(C02P) \\sim Ueq, Uanis(C02Q) \\sim Ueq, Uanis(C02R) \\sim Ueq,
Uanis(C02S) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C030) \\sim Ueq, Uanis(C032) \\sim Ueq, Uanis(C033) \\sim Ueq,
Uanis(C034) \\sim Ueq, Uanis(C035) \\sim Ueq, Uanis(C036) \\sim Ueq,
Uanis(C037) \\sim Ueq, Uanis(C038) \\sim Ueq, Uanis(C039) \\sim Ueq,
Uanis(C03A) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C03C) \\sim Ueq,
Uanis(C03D) \\sim Ueq, Uanis(C03E) \\sim Ueq, Uanis(C03F) \\sim Ueq,
Uanis(C03G) \\sim Ueq, Uanis(C03H) \\sim Ueq, Uanis(C03J) \\sim Ueq,
Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03O) \\sim Ueq,
Uanis(C03P) \\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C03R) \\sim Ueq,
Uanis(C03S) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03W) \\sim Ueq,
Uanis(C03X) \\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C041) \\sim Ueq,
Uanis(C042) \\sim Ueq, Uanis(C043) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C048) \\sim Ueq, Uanis(C049) \\sim Ueq, Uanis(C04A) \\sim Ueq,
Uanis(C04B) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C04E) \\sim Ueq,
Uanis(C04F) \\sim Ueq, Uanis(C04G) \\sim Ueq, Uanis(C04H) \\sim Ueq,
Uanis(C04K) \\sim Ueq, Uanis(C04L) \\sim Ueq, Uanis(C04N) \\sim Ueq,
Uanis(C04O) \\sim Ueq, Uanis(C04R) \\sim Ueq, Uanis(C04U) \\sim Ueq,
Uanis(C04V) \\sim Ueq, Uanis(C04X) \\sim Ueq, Uanis(C04Z) \\sim Ueq,
Uanis(C050) \\sim Ueq, Uanis(C051) \\sim Ueq, Uanis(C056) \\sim Ueq,
Uanis(C058) \\sim Ueq, Uanis(C05C) \\sim Ueq, Uanis(C05D) \\sim Ueq,
Uanis(C05E) \\sim Ueq, Uanis(C05G) \\sim Ueq, Uanis(C05I) \\sim Ueq,
Uanis(C05Q) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C83) \\sim Ueq,
Uanis(C60) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C87) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41)
\\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C56) \\sim Ueq,
Uanis(C10) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C64)
\\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C36) \\sim Ueq,
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C79) \\sim Ueq,
Uanis(C11) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C82) \\sim Ueq,
Uanis(C45) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C96)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C95) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(S1) \\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(S1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C95) = Uanis(C96) = Uanis(C82) = Uanis(C97)
Uanis(C95) = Uanis(C82) = Uanis(C97) = Uanis(C96) = Uanis(C50) = Uanis(C43) =
Uanis(C45)
Uanis(C43) = Uanis(C45) = Uanis(C50) = Uanis(C96) = Uanis(C97) = Uanis(C82) =
Uanis(C95)
5. Rigid body (RIGU) restrains
 C95
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Aromatic/amide H refined with riding coordinates:
 C00T(H00T), C01Y(H01Y), C04E(H04E), C03C(H03C), C017(H017), C058(H058),
 C05I(H05I), C02R(H02R), C01V(H01V), C010(H010), C012(H012), C02N(H02N),
 C03O(H03O), C01O(H01O), C015(H015), C03Q(H03Q), C035(H035), C01B(H01B),
 C028(H028), C02G(H02G), C02E(H02E), C02A(H02A), C016(H016), C02Y(H02Y),
 C051(H051), C04L(H04L), C01L(H01L), C01I(H01I), C01K(H01K), C03P(H03P),
 C04G(H04G), C03U(H03U), C037(H037), C025(H025), C02U(H02U), C048(H048),
 C01J(H01J), C00U(H00U), C03F(H03F), C02L(H02L), C04R(H04R), C021(H021),
 C03W(H03W), C03Y(H03Y), C05Q(H05Q), C033(H033), C029(H029), C02W(H02W),
 C56(H56), C03B(H03B), C04V(H04V), C01Z(H01Z), C01D(H01D), C01G(H01G),
 C01C(H01C), C027(H027), C056(H056), C04K(H04K), C05G(H05G), C04O(H04O),
 C02B(H02B), C044(H044), C03S(H03S), C03H(H03H), C02M(H02M), C032(H032),
 C04A(H04A), C7(H7), C02X(H02X), C039(H039), C020(H020), C02F(H02F), C034(H034),
  C03X(H03X), C5(H5), C48(H48), C24(H24), C043(H043), C20(H20), C05D(H05D),
 C04X(H04X), C02P(H02P), C049(H049), C02K(H02K), C042(H042), C4(H4), C60(H60),
 C04F(H04F), C02Q(H02Q), C04B(H04B), C023(H023), C011(H011), C04H(H04H),
 C01U(H01U), C050(H050), C79(H79), C03E(H03G), C92(H92), C89(H89), C022(H022),
 C030(H030), C02T(H02T), C69(H69), C3(H3), C90(H90), C05C(H05C), C04Z(H04Z),
 C12(H12), C40(H40), C6(H6), C63(H63), C41(H41), C77(H77), C53(H53), C49(H49),
 C76(H76), C64(H64), C15(H15), C59(H59), C22(H22), C2(H2), C13(H13), C03M(H03M),
  C03R(H03R), C04U(H04U), C02S(H02S), C82(H82), C45(H45), C50(H50), C96(H96)
6.b Fitted hexagon refined as free rotating group:
 C00T(C01Y,C04E,C03C,C017,C014), C00W(C02D,C058,C05I,C02R,C01V), C00X(C010,
 C012,C02N,C03O,C01O), C015(C03Q,C05E,C035,C01B,C00V), C019(C028,C02G,C02E,C02A,
 C016), C01A(C02Y,C051,C04L,C01L,C01I), C01K(C038,C03P,C04G,C03U,C037),
 C01M(C01R,C025,C02U,C048,C01J), C01N(C00U,C03F,C02L,C04R,C021), C01Q(C03W,C03Y,
 C05Q,C033,C029), C01W(C02W,C56,C03B,C04V,C03D), C01Z(C00Z,C01D,C01G,C013,C01C),
  C027(C056,C04K,C05G,C04O,C036), C02B(C044,C03S,C03H,C01S,C02J), C02M(C032,
 C04A,C7,C02X,C03L), C03G(C039,C020,C00Y,C02F,C034), C03X(C5,C48,C24,C11,C87),
 C041(C043,C20,C05D,C04X,C02P), C049(C02K,C04D,C042,C4,C60), C04F(C02Q,C04B,
 C023,C011,C01H), C04H(C01T,C01U,C050,C79,C03E), C92(C89,C022,C030,C03J,C02T),
 C69(C3,C04N,C90,C05C,C04Z), C12(C40,C6,C63,C29,C41), C77(C53,C10,C49,C76,C64),
 C1(C15,C59,C22,C2,C13), C14(C32,C03M,C03R,C04U,C02S), C97(C82,C45,C43,C50,C96)
6.c Idealised Me refined as rotating group:
 C03A(H03A,H03D,H03E), C83(H83A,H83B,H83C), C36(H36A,H36B,H36C), C95(H95A,H95B,
 H95C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.60894(4) 1.31520(4) 1.25929(3) 0.02116(18) Uani 1 1 d . . . . .
Au02 Au 0.69135(4) 1.41616(4) 1.29039(3) 0.02275(19) Uani 1 1 d . . . . .
Au03 Au 0.44581(4) 1.29945(4) 1.31083(3) 0.02236(19) Uani 1 1 d . . . . .
Au04 Au 0.51934(4) 1.42246(4) 1.28458(3) 0.02223(19) Uani 1 1 d . . . . .
Au05 Au 0.56597(4) 1.33073(4) 1.37337(3) 0.02234(19) Uani 1 1 d . . . . .
Au06 Au 0.77061(4) 1.33554(4) 1.20893(3) 0.0268(2) Uani 1 1 d . . . . .
Au07 Au 0.72235(4) 1.28375(4) 1.32689(3) 0.0249(2) Uani 1 1 d . . . . .
Au08 Au 0.56853(4) 1.20971(4) 1.33562(4) 0.0258(2) Uani 1 1 d . . . . .
Au09 Au 0.64566(4) 1.42109(4) 1.18267(3) 0.0259(2) Uani 1 1 d . . . . .
Au0A Au 0.49289(4) 1.35190(4) 1.19467(3) 0.0262(2) Uani 1 1 d . . . . .
Au0B Au 0.65842(5) 1.28883(5) 1.14814(4) 0.0304(2) Uani 1 1 d . . . . .
Au0C Au 0.63029(5) 1.44600(4) 1.40578(3) 0.0257(2) Uani 1 1 d . . . . .
Au0D Au 0.52474(5) 1.22038(5) 1.22267(4) 0.0304(2) Uani 1 1 d . . . . .
Au0E Au 0.69598(5) 1.20602(5) 1.23648(4) 0.0305(2) Uani 1 1 d . . . . .
Au0F Au 0.55279(5) 1.33762(6) 1.07431(4) 0.0412(3) Uani 1 1 d . . . . .
P00G P 0.4492(3) 1.5122(3) 1.3099(2) 0.0234(11) Uani 1 1 d . . . . .
S00H S 0.5418(3) 1.3722(2) 1.46394(19) 0.0248(10) Uani 1 1 d . . . . .
P00I P 0.3105(3) 1.2904(2) 1.3551(2) 0.0215(10) Uani 1 1 d . . . . .
S00J S 0.7214(3) 1.5080(3) 1.3368(2) 0.0278(11) Uani 1 1 d . . . . .
S00K S 0.4363(3) 1.3910(3) 1.1123(2) 0.0397(15) Uani 1 1 d . . . . .
P00L P 0.5318(3) 1.1213(3) 1.3973(2) 0.0298(12) Uani 1 1 d . . . . .
P00M P 0.6727(3) 1.5108(3) 1.1208(2) 0.0299(12) Uani 1 1 d . . . . .
P00N P 0.9063(3) 1.3491(3) 1.1666(2) 0.0313(13) Uani 1 1 d . . . . .
P00P P 0.7663(3) 1.1144(3) 1.2212(3) 0.0435(16) Uani 1 1 d . . . . .
O00Q O 0.3708(8) 1.1703(6) 1.4021(6) 0.031(3) Uani 1 1 d . . . . .
O00R O 0.5721(8) 1.5640(7) 1.2134(6) 0.034(4) Uani 1 1 d . . . . .
C00T C 0.8029(6) 1.2623(7) 1.4284(5) 0.033(4) Uani 1 1 d G U . . .
H00T H 0.750049 1.264091 1.449501 0.040 Uiso 1 1 calc R U . . .
C01Y C 0.8671(8) 1.2512(7) 1.4559(4) 0.035(4) Uani 1 1 d G U . . .
H01Y H 0.857235 1.245577 1.495351 0.042 Uiso 1 1 calc R U . . .
C04E C 0.9460(6) 1.2486(7) 1.4244(6) 0.045(4) Uani 1 1 d G U . . .
H04E H 0.988988 1.241186 1.442734 0.054 Uiso 1 1 calc R U . . .
C03C C 0.9607(6) 1.2571(7) 1.3654(5) 0.037(4) Uani 1 1 d G U . . .
H03C H 1.013554 1.255308 1.344266 0.045 Uiso 1 1 calc R U . . .
C017 C 0.8965(8) 1.2682(7) 1.3379(4) 0.038(4) Uani 1 1 d G U . . .
H017 H 0.906368 1.273821 1.298415 0.046 Uiso 1 1 calc R U . . .
C014 C 0.8176(6) 1.2708(7) 1.3694(5) 0.036(4) Uani 1 1 d G U . . .
C00W C 0.5118(7) 1.5831(5) 1.3098(5) 0.028(3) Uani 1 1 d G U . . .
C02D C 0.5648(8) 1.6017(6) 1.2586(5) 0.030(3) Uani 1 1 d G U . . .
C058 C 0.6138(8) 1.6551(7) 1.2537(5) 0.040(4) Uani 1 1 d G U . . .
H058 H 0.649235 1.667581 1.219482 0.048 Uiso 1 1 calc R U . . .
C05I C 0.6097(8) 1.6900(6) 1.3000(6) 0.046(4) Uani 1 1 d G U . . .
H05I H 0.642394 1.725724 1.296684 0.055 Uiso 1 1 calc R U . . .
C02R C 0.5566(9) 1.6714(6) 1.3511(5) 0.043(4) Uani 1 1 d G U . . .
H02R H 0.553902 1.694662 1.382086 0.052 Uiso 1 1 calc R U . . .
C01V C 0.5077(8) 1.6179(7) 1.3561(4) 0.041(4) Uani 1 1 d G U . . .
H01V H 0.472251 1.605456 1.390286 0.049 Uiso 1 1 calc R U . . .
C00X C 0.3822(8) 1.5409(6) 1.2639(5) 0.035(4) Uani 1 1 d G U . . .
C010 C 0.3712(8) 1.5068(5) 1.2198(6) 0.033(4) Uani 1 1 d G U . . .
H010 H 0.396708 1.468109 1.214805 0.040 Uiso 1 1 calc R U . . .
C012 C 0.3222(8) 1.5305(6) 1.1832(5) 0.038(4) Uani 1 1 d G U . . .
H012 H 0.314845 1.507669 1.153676 0.045 Uiso 1 1 calc R U . . .
C02N C 0.2841(8) 1.5883(7) 1.1906(5) 0.040(4) Uani 1 1 d G U . . .
H02N H 0.251242 1.604170 1.166135 0.048 Uiso 1 1 calc R U . . .
C03O C 0.2950(8) 1.6224(5) 1.2347(6) 0.042(4) Uani 1 1 d G U . . .
H03O H 0.269502 1.661111 1.239721 0.051 Uiso 1 1 calc R U . . .
C01O C 0.3440(8) 1.5987(6) 1.2714(5) 0.036(4) Uani 1 1 d G U . . .
H01O H 0.351364 1.621552 1.300850 0.043 Uiso 1 1 calc R U . . .
C015 C 0.5707(8) 1.2686(7) 1.5297(7) 0.043(4) Uani 1 1 d G U . . .
H015 H 0.526515 1.251866 1.518319 0.052 Uiso 1 1 calc R U . . .
C03Q C 0.6075(9) 1.2333(5) 1.5687(7) 0.049(4) Uani 1 1 d G U . . .
H03Q H 0.587995 1.193009 1.583339 0.059 Uiso 1 1 calc R U . . .
C05E C 0.6735(9) 1.2584(7) 1.5857(6) 0.049(4) Uani 1 1 d G U . . .
C035 C 0.7026(7) 1.3186(7) 1.5637(6) 0.042(4) Uani 1 1 d G U . . .
H035 H 0.746787 1.335363 1.575137 0.050 Uiso 1 1 calc R U . . .
C01B C 0.6658(8) 1.3539(5) 1.5248(6) 0.034(4) Uani 1 1 d G U . . .
H01B H 0.685308 1.394222 1.510118 0.041 Uiso 1 1 calc R U . . .
C00V C 0.5998(8) 1.3289(6) 1.5078(6) 0.036(4) Uani 1 1 d G U . . .
C019 C 0.3832(7) 1.5016(7) 1.3809(4) 0.032(4) Uani 1 1 d G U . . .
C028 C 0.2990(7) 1.5028(7) 1.3892(5) 0.032(4) Uani 1 1 d G U . . .
H028 H 0.274383 1.512012 1.358422 0.039 Uiso 1 1 calc R U . . .
C02G C 0.2516(5) 1.4901(7) 1.4436(5) 0.031(4) Uani 1 1 d G U . . .
H02G H 0.195252 1.490944 1.449146 0.037 Uiso 1 1 calc R U . . .
C02E C 0.2884(7) 1.4763(7) 1.4896(4) 0.037(4) Uani 1 1 d G U . . .
H02E H 0.256688 1.467875 1.525973 0.045 Uiso 1 1 calc R U . . .
C02A C 0.3726(7) 1.4751(7) 1.4813(4) 0.034(4) Uani 1 1 d G U . . .
H02A H 0.397257 1.465876 1.512079 0.041 Uiso 1 1 calc R U . . .
C016 C 0.4200(5) 1.4877(7) 1.4269(5) 0.030(3) Uani 1 1 d G U . . .
H016 H 0.476390 1.486945 1.421356 0.036 Uiso 1 1 calc R U . . .
C01A C 0.9461(8) 1.4219(5) 1.1833(6) 0.035(4) Uani 1 1 d G U . . .
C02Y C 0.9778(8) 1.4700(7) 1.1415(4) 0.039(4) Uani 1 1 d G U . . .
H02Y H 0.978011 1.465505 1.103616 0.047 Uiso 1 1 calc R U . . .
C051 C 1.0092(8) 1.5247(6) 1.1564(5) 0.043(4) Uani 1 1 d G U . . .
H051 H 1.030447 1.556809 1.128394 0.051 Uiso 1 1 calc R U . . .
C04L C 1.0089(8) 1.5313(5) 1.2130(6) 0.040(4) Uani 1 1 d G U . . .
H04L H 1.029914 1.567910 1.222948 0.048 Uiso 1 1 calc R U . . .
C01L C 0.9772(8) 1.4833(7) 1.2548(4) 0.034(4) Uani 1 1 d G U . . .
H01L H 0.976946 1.487707 1.292726 0.041 Uiso 1 1 calc R U . . .
C01I C 0.9457(8) 1.4286(6) 1.2400(5) 0.033(4) Uani 1 1 d G U . . .
H01I H 0.924509 1.396402 1.267949 0.039 Uiso 1 1 calc R U . . .
C01K C 0.7811(8) 1.5540(5) 1.1832(6) 0.035(4) Uani 1 1 d G U . . .
H01K H 0.774343 1.514444 1.203841 0.043 Uiso 1 1 calc R U . . .
C038 C 0.7419(8) 1.5677(6) 1.1383(6) 0.034(4) Uani 1 1 d G U . . .
C03P C 0.7520(8) 1.6269(7) 1.1075(5) 0.039(4) Uani 1 1 d G U . . .
H03P H 0.725789 1.636057 1.077499 0.046 Uiso 1 1 calc R U . . .
C04G C 0.8012(9) 1.6723(5) 1.1216(6) 0.042(4) Uani 1 1 d G U . . .
H04G H 0.807947 1.711924 1.100935 0.050 Uiso 1 1 calc R U . . .
C03U C 0.8404(8) 1.6586(6) 1.1664(6) 0.042(4) Uani 1 1 d G U . . .
H03U H 0.873303 1.689053 1.175825 0.051 Uiso 1 1 calc R U . . .
C037 C 0.8303(8) 1.5995(7) 1.1973(5) 0.040(4) Uani 1 1 d G U . . .
H037 H 0.856503 1.590313 1.227278 0.048 Uiso 1 1 calc R U . . .
C01M C 0.4576(6) 1.1361(7) 1.4624(5) 0.030(3) Uani 1 1 d G U . . .
C01R C 0.3817(7) 1.1571(7) 1.4550(4) 0.029(3) Uani 1 1 d G U . . .
C025 C 0.3221(6) 1.1692(7) 1.5019(6) 0.034(4) Uani 1 1 d G U . . .
H025 H 0.271289 1.183205 1.496969 0.041 Uiso 1 1 calc R U . . .
C02U C 0.3384(7) 1.1603(7) 1.5561(5) 0.039(4) Uani 1 1 d G U . . .
H02U H 0.298480 1.168414 1.587462 0.047 Uiso 1 1 calc R U . . .
C048 C 0.4143(8) 1.1394(7) 1.5635(4) 0.039(4) Uani 1 1 d G U . . .
H048 H 0.425168 1.133424 1.599746 0.047 Uiso 1 1 calc R U . . .
C01J C 0.4739(6) 1.1273(7) 1.5166(6) 0.033(4) Uani 1 1 d G U . . .
H01J H 0.524666 1.113225 1.521536 0.039 Uiso 1 1 calc R U . . .
C01N C 0.2530(8) 1.3428(6) 1.3130(5) 0.030(3) Uani 1 1 d G U . . .
C00U C 0.2675(7) 1.3388(6) 1.2547(5) 0.036(4) Uani 1 1 d G U . . .
H00U H 0.304311 1.309575 1.238267 0.043 Uiso 1 1 calc R U . . .
C03F C 0.2270(8) 1.3786(7) 1.2210(4) 0.039(4) Uani 1 1 d G U . . .
H03F H 0.236644 1.375918 1.181990 0.047 Uiso 1 1 calc R U . . .
C02L C 0.1720(8) 1.4223(6) 1.2456(5) 0.038(4) Uani 1 1 d G U . . .
H02L H 0.144838 1.448845 1.222993 0.046 Uiso 1 1 calc R U . . .
C04R C 0.1575(7) 1.4262(6) 1.3038(5) 0.037(4) Uani 1 1 d G U . . .
H04R H 0.120701 1.455431 1.320274 0.044 Uiso 1 1 calc R U . . .
C021 C 0.1980(8) 1.3864(7) 1.3376(4) 0.033(4) Uani 1 1 d G U . . .
H021 H 0.188367 1.389088 1.376552 0.040 Uiso 1 1 calc R U . . .
C01Q C 0.9323(8) 1.3507(8) 1.0896(4) 0.037(4) Uani 1 1 d G U . . .
C03W C 1.0132(7) 1.3519(8) 1.0611(6) 0.044(4) Uani 1 1 d G U . . .
H03W H 1.054292 1.354481 1.081178 0.053 Uiso 1 1 calc R U . . .
C03Y C 1.0326(6) 1.3493(8) 1.0026(6) 0.044(4) Uani 1 1 d G U . . .
H03Y H 1.086662 1.350103 0.983554 0.053 Uiso 1 1 calc R U . . .
C05Q C 0.9711(8) 1.3454(8) 0.9726(4) 0.046(4) Uani 1 1 d G U . . .
H05Q H 0.984077 1.343669 0.933495 0.055 Uiso 1 1 calc R U . . .
C033 C 0.8902(7) 1.3442(8) 1.0011(6) 0.046(4) Uani 1 1 d G U . . .
H033 H 0.849121 1.341613 0.981059 0.056 Uiso 1 1 calc R U . . .
C029 C 0.8708(6) 1.3468(8) 1.0596(6) 0.039(4) Uani 1 1 d G U . . .
H029 H 0.816749 1.345992 1.078683 0.047 Uiso 1 1 calc R U . . .
C01W C 0.5852(8) 1.5608(6) 1.1159(6) 0.032(4) Uani 1 1 d G U . . .
C02W C 0.5608(8) 1.5791(7) 1.0653(5) 0.041(4) Uani 1 1 d G U . . .
H02W H 0.582323 1.559357 1.032832 0.049 Uiso 1 1 calc R U . . .
C56 C 0.5044(9) 1.6270(7) 1.0632(5) 0.050(4) Uani 1 1 d G U . . .
H56 H 0.488074 1.639258 1.029316 0.060 Uiso 1 1 calc R U . . .
C03B C 0.4722(8) 1.6565(6) 1.1117(6) 0.048(4) Uani 1 1 d G U . . .
H03B H 0.434456 1.688532 1.110255 0.057 Uiso 1 1 calc R U . . .
C04V C 0.4966(9) 1.6382(7) 1.1623(5) 0.041(4) Uani 1 1 d G U . . .
H04V H 0.475085 1.657905 1.194710 0.050 Uiso 1 1 calc R U . . .
C03D C 0.5530(8) 1.5903(7) 1.1644(5) 0.037(4) Uani 1 1 d G U . . .
C01Z C 0.8578(8) 1.5445(5) 1.3742(6) 0.034(4) Uani 1 1 d G U . . .
H01Z H 0.843842 1.585690 1.363670 0.041 Uiso 1 1 calc R U . . .
C00Z C 0.8108(6) 1.4940(6) 1.3664(6) 0.031(3) Uani 1 1 d G U . . .
C01D C 0.8317(7) 1.4324(5) 1.3822(6) 0.031(4) Uani 1 1 d G U . . .
H01D H 0.800239 1.398586 1.376971 0.038 Uiso 1 1 calc R U . . .
C01G C 0.8996(8) 1.4213(5) 1.4058(6) 0.034(4) Uani 1 1 d G U . . .
H01G H 0.913591 1.380052 1.416395 0.041 Uiso 1 1 calc R U . . .
C013 C 0.9466(6) 1.4718(6) 1.4137(6) 0.033(3) Uani 1 1 d G U . . .
C01C C 0.9257(7) 1.5334(5) 1.3979(6) 0.034(4) Uani 1 1 d G U . . .
H01C H 0.957196 1.567155 1.403094 0.041 Uiso 1 1 calc DR U . . .
C027 C 1.0389(9) 1.7342(6) 1.3881(7) 0.047(4) Uani 1 1 d G U . . .
H027 H 1.009791 1.770166 1.398335 0.056 Uiso 1 1 calc R U . . .
C056 C 1.0538(10) 1.6886(8) 1.4299(5) 0.054(4) Uani 1 1 d G U . . .
H056 H 1.034633 1.694027 1.468019 0.064 Uiso 1 1 calc R U . . .
C04K C 1.0973(10) 1.6348(7) 1.4146(6) 0.055(4) Uani 1 1 d G U . . .
H04K H 1.107286 1.604246 1.442491 0.066 Uiso 1 1 calc R U . . .
C05G C 1.1260(9) 1.6266(6) 1.3575(7) 0.053(4) Uani 1 1 d G U . . .
H05G H 1.155096 1.590604 1.347279 0.063 Uiso 1 1 calc R U . . .
C04O C 1.1111(9) 1.6722(8) 1.3158(5) 0.049(4) Uani 1 1 d G U . . .
H04O H 1.130254 1.666742 1.277594 0.059 Uiso 1 1 calc R U . . .
C036 C 1.0676(9) 1.7260(7) 1.3311(6) 0.043(4) Uani 1 1 d G U . . .
C02B C 0.1891(8) 1.2050(6) 1.3426(6) 0.036(4) Uani 1 1 d G U . . .
H02B H 0.165964 1.238623 1.324130 0.043 Uiso 1 1 calc R U . . .
C044 C 0.1505(7) 1.1462(7) 1.3537(7) 0.042(4) Uani 1 1 d G U . . .
H044 H 0.101557 1.140457 1.342738 0.050 Uiso 1 1 calc R U . . .
C03S C 0.1851(8) 1.0960(5) 1.3813(7) 0.043(4) Uani 1 1 d G U . . .
H03S H 0.159274 1.056679 1.388721 0.051 Uiso 1 1 calc R U . . .
C03H C 0.2583(8) 1.1047(6) 1.3977(6) 0.043(4) Uani 1 1 d G U . . .
H03H H 0.281398 1.071067 1.416095 0.052 Uiso 1 1 calc R U . . .
C01S C 0.2969(7) 1.1635(7) 1.3865(6) 0.038(4) Uani 1 1 d G U . . .
C02J C 0.2623(8) 1.2137(5) 1.3590(7) 0.040(4) Uani 1 1 d G U . . .
C02M C 0.7979(7) 1.5145(7) 1.0222(5) 0.035(4) Uani 1 1 d G U . . .
H02M H 0.828296 1.536409 1.042213 0.042 Uiso 1 1 calc R U . . .
C032 C 0.8319(6) 1.5004(7) 0.9674(5) 0.038(4) Uani 1 1 d G U . . .
H032 H 0.885021 1.512758 0.950712 0.045 Uiso 1 1 calc R U . . .
C04A C 0.7864(7) 1.4677(7) 0.9375(4) 0.040(4) Uani 1 1 d G U . . .
H04A H 0.809163 1.458177 0.900793 0.048 Uiso 1 1 calc R U . . .
C7 C 0.7070(7) 1.4491(7) 0.9624(5) 0.040(4) Uani 1 1 d G U . . .
H7 H 0.676580 1.427246 0.942373 0.048 Uiso 1 1 calc R U . . .
C02X C 0.6730(6) 1.4633(7) 1.0172(5) 0.036(4) Uani 1 1 d G U . . .
H02X H 0.619854 1.450897 1.033873 0.043 Uiso 1 1 calc R U . . .
C03L C 0.7185(7) 1.4960(7) 1.0471(4) 0.038(4) Uani 1 1 d G U . . .
C03A C 1.0223(13) 1.4602(12) 1.4362(10) 0.047(5) Uani 1 1 d . U . . .
H03A H 1.068145 1.459197 1.405102 0.070 Uiso 1 1 calc R U . . .
H03D H 1.017447 1.420380 1.459261 0.070 Uiso 1 1 calc R U . . .
H03E H 1.029848 1.493490 1.458807 0.070 Uiso 1 1 calc DR U . . .
C03G C 0.2408(8) 1.2646(7) 1.0723(7) 0.047(4) Uani 1 1 d G U . . .
C039 C 0.2969(9) 1.2373(5) 1.1019(7) 0.049(4) Uani 1 1 d G U . . .
H039 H 0.294930 1.193972 1.112501 0.058 Uiso 1 1 calc R U . . .
C020 C 0.3559(8) 1.2747(7) 1.1155(6) 0.046(4) Uani 1 1 d G U . . .
H020 H 0.393448 1.256393 1.135297 0.055 Uiso 1 1 calc R U . . .
C00Y C 0.3588(8) 1.3394(7) 1.0996(7) 0.039(4) Uani 1 1 d G U . . .
C02F C 0.3027(8) 1.3668(5) 1.0701(6) 0.040(4) Uani 1 1 d G U . . .
H02F H 0.304702 1.410109 1.059456 0.048 Uiso 1 1 calc R U . . .
C034 C 0.2437(7) 1.3294(7) 1.0564(6) 0.040(4) Uani 1 1 d G U . . .
H034 H 0.206183 1.347689 1.036659 0.048 Uiso 1 1 calc R U . . .
C03X C 0.8298(10) 1.0658(8) 1.1154(8) 0.069(5) Uani 1 1 d G U . . .
H03X H 0.794673 1.031459 1.128040 0.083 Uiso 1 1 calc R U . . .
C5 C 0.8807(12) 1.0689(8) 1.0619(8) 0.073(5) Uani 1 1 d G U . . .
H5 H 0.879646 1.036557 1.038749 0.088 Uiso 1 1 calc R U . . .
C48 C 0.9331(10) 1.1203(9) 1.0430(6) 0.067(5) Uani 1 1 d G U . . .
H48 H 0.967171 1.122334 1.007188 0.080 Uiso 1 1 calc R U . . .
C24 C 0.9346(10) 1.1686(7) 1.0776(8) 0.059(5) Uani 1 1 d G U . . .
H24 H 0.969725 1.203015 1.064917 0.071 Uiso 1 1 calc R U . . .
C11 C 0.8837(11) 1.1656(8) 1.1311(7) 0.059(5) Uani 1 1 d G U . . .
C87 C 0.8313(10) 1.1142(9) 1.1500(6) 0.061(5) Uani 1 1 d G U . . .
C041 C 0.6194(7) 1.0877(6) 1.4252(6) 0.036(4) Uani 1 1 d G U . . .
C043 C 0.6407(8) 1.0245(6) 1.4228(7) 0.039(4) Uani 1 1 d G U . . .
H043 H 0.610191 0.997459 1.407182 0.046 Uiso 1 1 calc R U . . .
C20 C 0.7075(8) 1.0017(5) 1.4435(7) 0.051(4) Uani 1 1 d G U . . .
H20 H 0.721721 0.959446 1.441884 0.061 Uiso 1 1 calc R U . . .
C05D C 0.7531(7) 1.0422(7) 1.4668(7) 0.048(4) Uani 1 1 d G U . . .
H05D H 0.797798 1.026940 1.480728 0.058 Uiso 1 1 calc R U . . .
C04X C 0.7319(8) 1.1054(6) 1.4693(7) 0.043(4) Uani 1 1 d G U . . .
H04X H 0.762347 1.132448 1.484869 0.052 Uiso 1 1 calc R U . . .
C02P C 0.6650(8) 1.1282(5) 1.4485(7) 0.033(4) Uani 1 1 d G U . . .
H02P H 0.650818 1.170462 1.450167 0.040 Uiso 1 1 calc R U . . .
C049 C 0.3148(8) 1.1101(8) 1.2134(7) 0.058(5) Uani 1 1 d G U . . .
H049 H 0.262334 1.103749 1.234987 0.070 Uiso 1 1 calc R U . . .
C02K C 0.3682(10) 1.1503(8) 1.2300(6) 0.050(4) Uani 1 1 d G U . . .
H02K H 0.351523 1.170853 1.262628 0.060 Uiso 1 1 calc R U . . .
C04D C 0.4466(9) 1.1598(8) 1.1977(8) 0.054(4) Uani 1 1 d G U . . .
C042 C 0.4715(8) 1.1291(9) 1.1489(7) 0.063(5) Uani 1 1 d G U . . .
H042 H 0.523939 1.135446 1.127352 0.076 Uiso 1 1 calc R U . . .
C4 C 0.4181(11) 1.0889(9) 1.1324(7) 0.066(5) Uani 1 1 d G U . . .
H4 H 0.434753 1.068342 1.099710 0.079 Uiso 1 1 calc R U . . .
C60 C 0.3397(10) 1.0794(8) 1.1646(8) 0.064(5) Uani 1 1 d G U . . .
H60 H 0.303950 1.052492 1.153527 0.077 Uiso 1 1 calc R U . . .
C04F C 0.2017(6) 1.2993(6) 1.4591(5) 0.026(3) Uani 1 1 d G U . . .
H04F H 0.160492 1.290449 1.440656 0.031 Uiso 1 1 calc R U . . .
C02Q C 0.1837(5) 1.3047(6) 1.5172(5) 0.031(3) Uani 1 1 d G U . . .
H02Q H 0.130455 1.299482 1.537636 0.038 Uiso 1 1 calc R U . . .
C04B C 0.2453(7) 1.3180(6) 1.5448(4) 0.030(3) Uani 1 1 d G U . . .
H04B H 0.233221 1.321618 1.583691 0.036 Uiso 1 1 calc R U . . .
C023 C 0.3248(6) 1.3258(6) 1.5143(5) 0.027(3) Uani 1 1 d G U . . .
H023 H 0.366024 1.334719 1.532765 0.033 Uiso 1 1 calc R U . . .
C011 C 0.3428(5) 1.3204(6) 1.4562(5) 0.026(3) Uani 1 1 d G U . . .
H011 H 0.396062 1.325686 1.435784 0.032 Uiso 1 1 calc R U . . .
C01H C 0.2813(6) 1.3072(6) 1.4286(4) 0.022(3) Uani 1 1 d G U . . .
C04H C 0.4755(8) 1.0604(6) 1.3167(6) 0.043(4) Uani 1 1 d G U . . .
H04H H 0.500110 1.093846 1.291436 0.052 Uiso 1 1 calc R U . . .
C01T C 0.4820(8) 1.0564(6) 1.3733(6) 0.040(4) Uani 1 1 d G U . . .
C01U C 0.4452(9) 1.0065(7) 1.4111(5) 0.041(4) Uani 1 1 d G U . . .
H01U H 0.449585 1.003808 1.448968 0.049 Uiso 1 1 calc R U . . .
C050 C 0.4019(8) 0.9605(6) 1.3923(6) 0.043(4) Uani 1 1 d G U . . .
H050 H 0.377278 0.927038 1.417639 0.052 Uiso 1 1 calc R U . . .
C79 C 0.3954(8) 0.9644(6) 1.3358(6) 0.043(4) Uani 1 1 d G U . . .
H79 H 0.366387 0.933671 1.323209 0.052 Uiso 1 1 calc R U . . .
C03E C 0.4322(9) 1.0144(7) 1.2980(5) 0.045(4) Uani 1 1 d G U . . .
H03G H 0.427802 1.017075 1.260107 0.054 Uiso 1 1 calc R U . . .
C92 C 0.8301(10) 1.8540(6) 1.3045(9) 0.062(5) Uani 1 1 d G U . . .
H92 H 0.804659 1.892678 1.309906 0.075 Uiso 1 1 calc R U . . .
C89 C 0.7842(7) 1.8002(8) 1.3038(8) 0.060(5) Uani 1 1 d G U . . .
H89 H 0.728060 1.802809 1.308708 0.072 Uiso 1 1 calc R U . . .
C022 C 0.8223(9) 1.7425(7) 1.2958(8) 0.055(4) Uani 1 1 d G U . . .
H022 H 0.791607 1.706439 1.295289 0.065 Uiso 1 1 calc R U . . .
C030 C 0.9063(9) 1.7386(6) 1.2884(8) 0.053(4) Uani 1 1 d G U . . .
H030 H 0.931752 1.699937 1.283069 0.064 Uiso 1 1 calc R U . . .
C03J C 0.9522(7) 1.7924(8) 1.2892(8) 0.058(4) Uani 1 1 d G U . . .
C02T C 0.9141(10) 1.8502(7) 1.2972(9) 0.064(5) Uani 1 1 d G U . . .
H02T H 0.944807 1.886176 1.297685 0.077 Uiso 1 1 calc R U . . .
C69 C 1.1702(12) 1.9214(10) 1.3355(8) 0.076(5) Uani 1 1 d G U . . .
H69 H 1.191123 1.928566 1.366967 0.091 Uiso 1 1 calc R U . . .
C3 C 1.1327(12) 1.8638(8) 1.3335(8) 0.071(5) Uani 1 1 d G U . . .
H3 H 1.128547 1.832559 1.363738 0.085 Uiso 1 1 calc R U . . .
C04N C 1.1013(12) 1.8531(8) 1.2865(9) 0.070(5) Uani 1 1 d G U . . .
C90 C 1.1075(12) 1.8998(10) 1.2413(7) 0.074(5) Uani 1 1 d G U . . .
H90 H 1.086558 1.892633 1.209821 0.088 Uiso 1 1 calc R U . . .
C05C C 1.1450(12) 1.9574(8) 1.2433(8) 0.075(5) Uani 1 1 d G U . . .
H05C H 1.149134 1.988639 1.213049 0.090 Uiso 1 1 calc R U . . .
C04Z C 1.1763(12) 1.9681(7) 1.2903(9) 0.072(5) Uani 1 1 d G U . . .
H04Z H 1.201417 2.006607 1.291622 0.087 Uiso 1 1 calc R U . . .
B56 B 1.0536(17) 1.7851(14) 1.2804(13) 0.047(7) Uani 1 1 d . . . . .
C83 C 0.1729(16) 1.2227(14) 1.0588(12) 0.062(7) Uani 1 1 d . U . . .
H83A H 0.139606 1.204230 1.093706 0.094 Uiso 1 1 calc R U . . .
H83B H 0.197427 1.189788 1.036672 0.094 Uiso 1 1 calc R U . . .
H83C H 0.139994 1.248387 1.037792 0.094 Uiso 1 1 calc R U . . .
C12 C 0.5966(10) 0.9943(10) 1.1895(8) 0.066(5) Uani 1 1 d G U . . .
H12 H 0.561967 0.993850 1.164161 0.080 Uiso 1 1 calc R U . . .
C40 C 0.5977(11) 0.9429(8) 1.2296(9) 0.070(5) Uani 1 1 d G U . . .
H40 H 0.563937 0.908117 1.231064 0.084 Uiso 1 1 calc R U . . .
C6 C 0.6494(12) 0.9435(8) 1.2674(8) 0.071(5) Uani 1 1 d G U . . .
H6 H 0.650225 0.909125 1.294213 0.086 Uiso 1 1 calc R U . . .
C63 C 0.7000(10) 0.9955(9) 1.2651(8) 0.067(5) Uani 1 1 d G U . . .
H63 H 0.734544 0.995866 1.290461 0.081 Uiso 1 1 calc R U . . .
C29 C 0.6988(10) 1.0468(8) 1.2251(9) 0.065(5) Uani 1 1 d G U . . .
C41 C 0.6471(11) 1.0462(8) 1.1872(8) 0.067(5) Uani 1 1 d G U . . .
H41 H 0.646287 1.080592 1.160409 0.081 Uiso 1 1 calc R U . . .
C77 C 1.0912(13) 1.7580(11) 1.1163(8) 0.085(6) Uani 1 1 d G U . . .
H77 H 1.060577 1.757728 1.088494 0.103 Uiso 1 1 calc R U . . .
C53 C 1.0531(9) 1.7654(10) 1.1721(10) 0.077(5) Uani 1 1 d G U . . .
H53 H 0.996990 1.769924 1.181619 0.093 Uiso 1 1 calc R U . . .
C10 C 1.0988(12) 1.7658(10) 1.2137(7) 0.071(5) Uani 1 1 d G U . . .
C49 C 1.1826(12) 1.7590(11) 1.1995(8) 0.077(5) Uani 1 1 d G U . . .
H49 H 1.213158 1.759304 1.227373 0.093 Uiso 1 1 calc R U . . .
C76 C 1.2207(9) 1.7517(11) 1.1437(10) 0.086(6) Uani 1 1 d G U . . .
H76 H 1.276747 1.747107 1.134249 0.103 Uiso 1 1 calc R U . . .
C64 C 1.1750(13) 1.7512(11) 1.1021(7) 0.087(6) Uani 1 1 d G U . . .
H64 H 1.200457 1.746318 1.064808 0.104 Uiso 1 1 calc R U . . .
C36 C 0.7189(17) 1.2231(15) 1.6264(13) 0.070(7) Uani 1 1 d . U . . .
H36A H 0.763262 1.200719 1.605439 0.105 Uiso 1 1 calc R U . . .
H36B H 0.682764 1.193482 1.651991 0.105 Uiso 1 1 calc R U . . .
H36C H 0.739573 1.252580 1.647699 0.105 Uiso 1 1 calc R U . . .
C1 C 0.8358(9) 1.0901(8) 1.2672(7) 0.057(4) Uani 1 1 d G U . . .
C15 C 0.8901(10) 1.0417(8) 1.2527(7) 0.055(4) Uani 1 1 d G U . . .
H15 H 0.888375 1.020556 1.221033 0.066 Uiso 1 1 calc R U . . .
C59 C 0.9469(9) 1.0248(7) 1.2855(8) 0.062(5) Uani 1 1 d G U . . .
H59 H 0.983269 0.992466 1.275844 0.074 Uiso 1 1 calc R U . . .
C22 C 0.9495(9) 1.0564(8) 1.3329(7) 0.059(5) Uani 1 1 d G U . . .
H22 H 0.987554 1.045131 1.354824 0.071 Uiso 1 1 calc R U . . .
C2 C 0.8952(10) 1.1048(8) 1.3473(6) 0.057(4) Uani 1 1 d G U . . .
H2 H 0.896946 1.125887 1.378994 0.069 Uiso 1 1 calc R U . . .
C13 C 0.8384(9) 1.1216(7) 1.3145(8) 0.054(4) Uani 1 1 d G U . . .
H13 H 0.802051 1.153978 1.324184 0.065 Uiso 1 1 calc R U . . .
O1 O 0.8871(8) 1.2133(8) 1.1630(7) 0.045(4) Uani 1 1 d . . . . .
C14 C 0.9758(7) 1.2874(6) 1.1861(7) 0.036(4) Uani 1 1 d G U . . .
C32 C 0.9570(7) 1.2256(7) 1.1788(7) 0.042(4) Uani 1 1 d G U . . .
C03M C 1.0091(9) 1.1768(5) 1.1895(7) 0.045(4) Uani 1 1 d G U . . .
H03M H 0.996580 1.135459 1.184644 0.054 Uiso 1 1 calc R U . . .
C03R C 1.0799(8) 1.1900(6) 1.2074(7) 0.047(4) Uani 1 1 d G U . . .
H03R H 1.114763 1.157351 1.214483 0.057 Uiso 1 1 calc R U . . .
C04U C 1.0986(7) 1.2518(7) 1.2146(7) 0.044(4) Uani 1 1 d G U . . .
H04U H 1.146020 1.260580 1.226549 0.053 Uiso 1 1 calc R U . . .
C02S C 1.0466(8) 1.3005(5) 1.2039(7) 0.039(4) Uani 1 1 d G U . . .
H02S H 1.059094 1.341919 1.208774 0.047 Uiso 1 1 calc R U . . .
S1 S 0.6742(4) 1.2864(3) 1.0465(3) 0.0443(13) Uani 1 1 d . U . . .
C95 C 0.5848(17) 1.0325(9) 0.9943(14) 0.0816(17) Uani 1 1 d D U . . .
H95A H 0.619526 0.997715 1.000996 0.122 Uiso 1 1 calc R U . . .
H95B H 0.577630 1.034839 0.955827 0.122 Uiso 1 1 calc R U . . .
H95C H 0.532965 1.026256 1.019887 0.122 Uiso 1 1 calc DR U . . .
C97 C 0.6203(13) 1.0889(7) 1.0034(10) 0.0816(17) Uani 1 1 d DG U . . .
C82 C 0.6867(12) 1.0981(8) 1.0275(10) 0.0816(17) Uani 1 1 d G U . . .
H82 H 0.720915 1.064550 1.033357 0.098 Uiso 1 1 calc R U . . .
C45 C 0.7021(11) 1.1574(10) 1.0430(10) 0.0816(17) Uani 1 1 d G U . . .
H45 H 0.746574 1.163526 1.059136 0.098 Uiso 1 1 calc R U . . .
C43 C 0.6510(14) 1.2075(7) 1.0343(10) 0.0816(17) Uani 1 1 d G U . . .
C50 C 0.5845(12) 1.1983(8) 1.0101(10) 0.0816(17) Uani 1 1 d G U . . .
H50 H 0.550359 1.231840 1.004323 0.098 Uiso 1 1 calc R U . . .
C96 C 0.5692(11) 1.1390(9) 0.9947(9) 0.0816(17) Uani 1 1 d G U . . .
H96 H 0.524698 1.132865 0.978542 0.098 Uiso 1 1 calc DR U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.8109(11) . ?
Au01 Au03 2.7763(10) . ?
Au01 Au04 2.7677(12) . ?
Au01 Au05 2.7534(11) . ?
Au01 Au06 2.7579(10) . ?
Au01 Au07 2.7996(11) . ?
Au01 Au08 2.7544(12) . ?
Au01 Au09 2.7584(12) . ?
Au01 Au0A 2.8076(11) . ?
Au01 Au0B 2.7530(11) . ?
Au01 Au0D 2.7895(11) . ?
Au01 Au0E 2.7703(12) . ?
Au02 Au04 2.9299(10) . ?
Au02 Au05 3.0597(11) . ?
Au02 Au06 2.8469(12) . ?
Au02 Au07 2.9399(13) . ?
Au02 Au09 2.8596(11) . ?
Au02 Au0C 2.8942(11) . ?
Au02 S00J 2.451(5) . ?
Au03 Au04 2.8588(12) . ?
Au03 Au05 2.8862(11) . ?
Au03 Au08 2.9126(12) . ?
Au03 Au0A 2.8694(11) . ?
Au03 Au0D 2.9325(12) . ?
Au03 P00I 2.306(5) . ?
Au04 Au05 2.9811(11) . ?
Au04 Au09 2.9002(11) . ?
Au04 Au0A 2.8686(12) . ?
Au04 P00G 2.298(5) . ?
Au05 Au07 2.8489(11) . ?
Au05 Au08 2.8078(12) . ?
Au05 Au0C 2.9265(12) . ?
Au05 S00H 2.395(5) . ?
Au06 Au07 2.9052(12) . ?
Au06 Au09 2.8972(12) . ?
Au06 Au0B 2.8637(11) . ?
Au06 Au0E 2.9916(13) . ?
Au06 P00N 2.307(5) . ?
Au07 Au08 3.0014(11) . ?
Au07 Au0E 2.9717(12) . ?
Au07 C014 2.082(9) . ?
Au08 Au0D 2.9631(12) . ?
Au08 Au0E 2.8692(12) . ?
Au08 P00L 2.285(6) . ?
Au09 Au0A 2.9216(11) . ?
Au09 Au0B 3.0013(13) . ?
Au09 P00M 2.292(6) . ?
Au0A Au0B 3.1199(12) . ?
Au0A Au0D 2.8821(14) . ?
Au0A Au0F 2.9185(12) . ?
Au0A S00K 2.455(5) . ?
Au0B Au0D 2.8770(12) . ?
Au0B Au0E 2.8057(13) . ?
Au0B Au0F 2.8917(13) . ?
Au0B S1 2.422(7) . ?
Au0C S00H 2.322(5) . ?
Au0C S00J 2.326(5) . ?
Au0D Au0E 2.9805(12) . ?
Au0D C04D 2.066(12) . ?
Au0E P00P 2.289(6) . ?
Au0F S00K 2.319(6) . ?
Au0F S1 2.310(6) . ?
P00G C00W 1.846(11) . ?
P00G C00X 1.808(10) . ?
P00G C019 1.833(10) . ?
S00H C00V 1.776(11) . ?
P00I C01N 1.838(10) . ?
P00I C02J 1.813(11) . ?
P00I C01H 1.813(10) . ?
S00J C00Z 1.808(10) . ?
S00K C00Y 1.803(11) . ?
P00L C01M 1.844(11) . ?
P00L C041 1.858(11) . ?
P00L C01T 1.822(11) . ?
P00M C038 1.826(11) . ?
P00M C01W 1.825(11) . ?
P00M C03L 1.843(11) . ?
P00N C01A 1.804(11) . ?
P00N C01Q 1.819(11) . ?
P00N C14 1.840(11) . ?
P00P C87 1.837(15) . ?
P00P C29 1.823(15) . ?
P00P C1 1.815(14) . ?
O00Q C01R 1.334(17) . ?
O00Q C01S 1.388(16) . ?
O00R C02D 1.402(17) . ?
O00R C03D 1.360(17) . ?
C00T H00T 0.9300 . ?
C00T C01Y 1.3900 . ?
C00T C014 1.3900 . ?
C01Y H01Y 0.9300 . ?
C01Y C04E 1.3900 . ?
C04E H04E 0.9300 . ?
C04E C03C 1.3900 . ?
C03C H03C 0.9300 . ?
C03C C017 1.3900 . ?
C017 H017 0.9300 . ?
C017 C014 1.3900 . ?
C00W C02D 1.3900 . ?
C00W C01V 1.3900 . ?
C02D C058 1.3900 . ?
C058 H058 0.9300 . ?
C058 C05I 1.3900 . ?
C05I H05I 0.9300 . ?
C05I C02R 1.3900 . ?
C02R H02R 0.9300 . ?
C02R C01V 1.3900 . ?
C01V H01V 0.9300 . ?
C00X C010 1.3900 . ?
C00X C01O 1.3900 . ?
C010 H010 0.9300 . ?
C010 C012 1.3900 . ?
C012 H012 0.9300 . ?
C012 C02N 1.3900 . ?
C02N H02N 0.9300 . ?
C02N C03O 1.3900 . ?
C03O H03O 0.9300 . ?
C03O C01O 1.3900 . ?
C01O H01O 0.9300 . ?
C015 H015 0.9300 . ?
C015 C03Q 1.3900 . ?
C015 C00V 1.3900 . ?
C03Q H03Q 0.9300 . ?
C03Q C05E 1.3900 . ?
C05E C035 1.3900 . ?
C05E C36 1.51(3) . ?
C035 H035 0.9300 . ?
C035 C01B 1.3900 . ?
C01B H01B 0.9300 . ?
C01B C00V 1.3900 . ?
C019 C028 1.3900 . ?
C019 C016 1.3900 . ?
C028 H028 0.9300 . ?
C028 C02G 1.3900 . ?
C02G H02G 0.9300 . ?
C02G C02E 1.3900 . ?
C02E H02E 0.9300 . ?
C02E C02A 1.3900 . ?
C02A H02A 0.9300 . ?
C02A C016 1.3900 . ?
C016 H016 0.9300 . ?
C01A C02Y 1.3900 . ?
C01A C01I 1.3900 . ?
C02Y H02Y 0.9300 . ?
C02Y C051 1.3900 . ?
C051 H051 0.9300 . ?
C051 C04L 1.3900 . ?
C04L H04L 0.9300 . ?
C04L C01L 1.3900 . ?
C01L H01L 0.9300 . ?
C01L C01I 1.3900 . ?
C01I H01I 0.9300 . ?
C01K H01K 0.9300 . ?
C01K C038 1.3900 . ?
C01K C037 1.3900 . ?
C038 C03P 1.3900 . ?
C03P H03P 0.9300 . ?
C03P C04G 1.3900 . ?
C04G H04G 0.9300 . ?
C04G C03U 1.3900 . ?
C03U H03U 0.9300 . ?
C03U C037 1.3900 . ?
C037 H037 0.9300 . ?
C01M C01R 1.3900 . ?
C01M C01J 1.3900 . ?
C01R C025 1.3900 . ?
C025 H025 0.9300 . ?
C025 C02U 1.3900 . ?
C02U H02U 0.9300 . ?
C02U C048 1.3900 . ?
C048 H048 0.9300 . ?
C048 C01J 1.3900 . ?
C01J H01J 0.9300 . ?
C01N C00U 1.3900 . ?
C01N C021 1.3900 . ?
C00U H00U 0.9300 . ?
C00U C03F 1.3900 . ?
C03F H03F 0.9300 . ?
C03F C02L 1.3900 . ?
C02L H02L 0.9300 . ?
C02L C04R 1.3900 . ?
C04R H04R 0.9300 . ?
C04R C021 1.3900 . ?
C021 H021 0.9300 . ?
C01Q C03W 1.3900 . ?
C01Q C029 1.3900 . ?
C03W H03W 0.9300 . ?
C03W C03Y 1.3900 . ?
C03Y H03Y 0.9300 . ?
C03Y C05Q 1.3900 . ?
C05Q H05Q 0.9300 . ?
C05Q C033 1.3900 . ?
C033 H033 0.9300 . ?
C033 C029 1.3900 . ?
C029 H029 0.9300 . ?
C01W C02W 1.3900 . ?
C01W C03D 1.3900 . ?
C02W H02W 0.9300 . ?
C02W C56 1.3900 . ?
C56 H56 0.9300 . ?
C56 C03B 1.3900 . ?
C03B H03B 0.9300 . ?
C03B C04V 1.3900 . ?
C04V H04V 0.9300 . ?
C04V C03D 1.3900 . ?
C01Z H01Z 0.9300 . ?
C01Z C00Z 1.3900 . ?
C01Z C01C 1.3900 . ?
C00Z C01D 1.3900 . ?
C01D H01D 0.9300 . ?
C01D C01G 1.3900 . ?
C01G H01G 0.9300 . ?
C01G C013 1.3900 . ?
C013 C01C 1.3900 . ?
C013 C03A 1.50(2) . ?
C01C H01C 0.9300 . ?
C027 H027 0.9300 . ?
C027 C056 1.3900 . ?
C027 C036 1.3900 . ?
C056 H056 0.9300 . ?
C056 C04K 1.3900 . ?
C04K H04K 0.9300 . ?
C04K C05G 1.3900 . ?
C05G H05G 0.9300 . ?
C05G C04O 1.3900 . ?
C04O H04O 0.9300 . ?
C04O C036 1.3900 . ?
C036 B56 1.72(3) . ?
C02B H02B 0.9300 . ?
C02B C044 1.3900 . ?
C02B C02J 1.3900 . ?
C044 H044 0.9300 . ?
C044 C03S 1.3900 . ?
C03S H03S 0.9300 . ?
C03S C03H 1.3900 . ?
C03H H03H 0.9300 . ?
C03H C01S 1.3900 . ?
C01S C02J 1.3900 . ?
C02M H02M 0.9300 . ?
C02M C032 1.3900 . ?
C02M C03L 1.3900 . ?
C032 H032 0.9300 . ?
C032 C04A 1.3900 . ?
C04A H04A 0.9300 . ?
C04A C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C02X 1.3900 . ?
C02X H02X 0.9300 . ?
C02X C03L 1.3900 . ?
C03A H03A 0.9600 . ?
C03A H03D 0.9600 . ?
C03A H03E 0.9600 . ?
C03G C039 1.3900 . ?
C03G C034 1.3900 . ?
C03G C83 1.56(3) . ?
C039 H039 0.9300 . ?
C039 C020 1.3900 . ?
C020 H020 0.9300 . ?
C020 C00Y 1.3900 . ?
C00Y C02F 1.3900 . ?
C02F H02F 0.9300 . ?
C02F C034 1.3900 . ?
C034 H034 0.9300 . ?
C03X H03X 0.9300 . ?
C03X C5 1.3900 . ?
C03X C87 1.3900 . ?
C5 H5 0.9300 . ?
C5 C48 1.3900 . ?
C48 H48 0.9300 . ?
C48 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C11 1.3900 . ?
C11 C87 1.3900 . ?
C11 O1 1.34(2) . ?
C041 C043 1.3900 . ?
C041 C02P 1.3900 . ?
C043 H043 0.9300 . ?
C043 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C05D 1.3900 . ?
C05D H05D 0.9300 . ?
C05D C04X 1.3900 . ?
C04X H04X 0.9300 . ?
C04X C02P 1.3900 . ?
C02P H02P 0.9300 . ?
C049 H049 0.9300 . ?
C049 C02K 1.3900 . ?
C049 C60 1.3900 . ?
C02K H02K 0.9300 . ?
C02K C04D 1.3900 . ?
C04D C042 1.3900 . ?
C042 H042 0.9300 . ?
C042 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C60 1.3900 . ?
C60 H60 0.9300 . ?
C04F H04F 0.9300 . ?
C04F C02Q 1.3900 . ?
C04F C01H 1.3900 . ?
C02Q H02Q 0.9300 . ?
C02Q C04B 1.3900 . ?
C04B H04B 0.9300 . ?
C04B C023 1.3900 . ?
C023 H023 0.9300 . ?
C023 C011 1.3900 . ?
C011 H011 0.9300 . ?
C011 C01H 1.3900 . ?
C04H H04H 0.9300 . ?
C04H C01T 1.3900 . ?
C04H C03E 1.3900 . ?
C01T C01U 1.3900 . ?
C01U H01U 0.9300 . ?
C01U C050 1.3900 . ?
C050 H050 0.9300 . ?
C050 C79 1.3900 . ?
C79 H79 0.9300 . ?
C79 C03E 1.3900 . ?
C03E H03G 0.9300 . ?
C92 H92 0.9300 . ?
C92 C89 1.3900 . ?
C92 C02T 1.3900 . ?
C89 H89 0.9300 . ?
C89 C022 1.3900 . ?
C022 H022 0.9300 . ?
C022 C030 1.3900 . ?
C030 H030 0.9300 . ?
C030 C03J 1.3900 . ?
C03J C02T 1.3900 . ?
C03J B56 1.68(3) . ?
C02T H02T 0.9300 . ?
C69 H69 0.9300 . ?
C69 C3 1.3900 . ?
C69 C04Z 1.3900 . ?
C3 H3 0.9300 . ?
C3 C04N 1.3900 . ?
C04N C90 1.3900 . ?
C04N B56 1.69(3) . ?
C90 H90 0.9300 . ?
C90 C05C 1.3900 . ?
C05C H05C 0.9300 . ?
C05C C04Z 1.3900 . ?
C04Z H04Z 0.9300 . ?
B56 C10 1.72(3) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C40 1.3900 . ?
C12 C41 1.3900 . ?
C40 H40 0.9300 . ?
C40 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C63 1.3900 . ?
C63 H63 0.9300 . ?
C63 C29 1.3900 . ?
C29 C41 1.3900 . ?
C41 H41 0.9300 . ?
C77 H77 0.9300 . ?
C77 C53 1.3900 . ?
C77 C64 1.3900 . ?
C53 H53 0.9300 . ?
C53 C10 1.3900 . ?
C10 C49 1.3900 . ?
C49 H49 0.9300 . ?
C49 C76 1.3900 . ?
C76 H76 0.9300 . ?
C76 C64 1.3900 . ?
C64 H64 0.9300 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C1 C15 1.3900 . ?
C1 C13 1.3900 . ?
C15 H15 0.9300 . ?
C15 C59 1.3900 . ?
C59 H59 0.9300 . ?
C59 C22 1.3900 . ?
C22 H22 0.9300 . ?
C22 C2 1.3900 . ?
C2 H2 0.9300 . ?
C2 C13 1.3900 . ?
C13 H13 0.9300 . ?
O1 C32 1.349(18) . ?
C14 C32 1.3900 . ?
C14 C02S 1.3900 . ?
C32 C03M 1.3900 . ?
C03M H03M 0.9300 . ?
C03M C03R 1.3900 . ?
C03R H03R 0.9300 . ?
C03R C04U 1.3900 . ?
C04U H04U 0.9300 . ?
C04U C02S 1.3900 . ?
C02S H02S 0.9300 . ?
S1 C43 1.792(14) . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?
C95 C97 1.4000(11) . ?
C97 C82 1.3900 . ?
C97 C96 1.3900 . ?
C82 H82 0.9300 . ?
C82 C45 1.3900 . ?
C45 H45 0.9300 . ?
C45 C43 1.3900 . ?
C43 C50 1.3900 . ?
C50 H50 0.9300 . ?
C50 C96 1.3900 . ?
C96 H96 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au03 Au01 Au02 116.53(4) . . ?
Au03 Au01 Au07 117.16(4) . . ?
Au03 Au01 Au0A 61.84(3) . . ?
Au03 Au01 Au0D 63.59(3) . . ?
Au04 Au01 Au02 63.36(3) . . ?
Au04 Au01 Au03 62.08(3) . . ?
Au04 Au01 Au07 115.20(4) . . ?
Au04 Au01 Au0A 61.93(3) . . ?
Au04 Au01 Au0D 114.60(3) . . ?
Au04 Au01 Au0E 178.45(4) . . ?
Au05 Au01 Au02 66.71(3) . . ?
Au05 Au01 Au03 62.93(3) . . ?
Au05 Au01 Au04 65.36(3) . . ?
Au05 Au01 Au06 116.11(3) . . ?
Au05 Au01 Au07 61.73(3) . . ?
Au05 Au01 Au08 61.30(3) . . ?
Au05 Au01 Au09 118.69(4) . . ?
Au05 Au01 Au0A 115.99(3) . . ?
Au05 Au01 Au0D 115.70(4) . . ?
Au05 Au01 Au0E 113.46(4) . . ?
Au06 Au01 Au02 61.48(3) . . ?
Au06 Au01 Au03 177.85(5) . . ?
Au06 Au01 Au04 115.80(4) . . ?
Au06 Au01 Au07 63.03(3) . . ?
Au06 Au01 Au09 63.36(3) . . ?
Au06 Au01 Au0A 117.85(4) . . ?
Au06 Au01 Au0D 118.33(4) . . ?
Au06 Au01 Au0E 65.52(3) . . ?
Au07 Au01 Au02 63.20(3) . . ?
Au07 Au01 Au0A 177.13(4) . . ?
Au08 Au01 Au02 118.99(4) . . ?
Au08 Au01 Au03 63.55(3) . . ?
Au08 Au01 Au04 115.88(3) . . ?
Au08 Au01 Au06 117.92(4) . . ?
Au08 Au01 Au07 65.42(3) . . ?
Au08 Au01 Au09 178.67(4) . . ?
Au08 Au01 Au0A 115.41(3) . . ?
Au08 Au01 Au0D 64.61(3) . . ?
Au08 Au01 Au0E 62.58(3) . . ?
Au09 Au01 Au02 61.78(3) . . ?
Au09 Au01 Au03 115.18(4) . . ?
Au09 Au01 Au04 63.31(3) . . ?
Au09 Au01 Au07 115.84(3) . . ?
Au09 Au01 Au0A 63.32(3) . . ?
Au09 Au01 Au0D 114.59(4) . . ?
Au09 Au01 Au0E 118.23(4) . . ?
Au0A Au01 Au02 114.54(4) . . ?
Au0B Au01 Au02 115.35(4) . . ?
Au0B Au01 Au03 118.54(3) . . ?
Au0B Au01 Au04 120.12(4) . . ?
Au0B Au01 Au05 174.51(4) . . ?
Au0B Au01 Au06 62.62(3) . . ?
Au0B Au01 Au07 114.14(4) . . ?
Au0B Au01 Au08 114.09(4) . . ?
Au0B Au01 Au09 65.99(3) . . ?
Au0B Au01 Au0A 68.25(3) . . ?
Au0B Au01 Au0D 62.54(3) . . ?
Au0B Au01 Au0E 61.06(3) . . ?
Au0D Au01 Au02 176.25(4) . . ?
Au0D Au01 Au07 120.32(4) . . ?
Au0D Au01 Au0A 61.98(3) . . ?
Au0E Au01 Au02 117.30(3) . . ?
Au0E Au01 Au03 116.59(4) . . ?
Au0E Au01 Au07 64.49(3) . . ?
Au0E Au01 Au0A 118.38(4) . . ?
Au0E Au01 Au0D 64.83(3) . . ?
Au01 Au02 Au04 57.60(3) . . ?
Au01 Au02 Au05 55.75(3) . . ?
Au01 Au02 Au06 58.34(3) . . ?
Au01 Au02 Au07 58.21(3) . . ?
Au01 Au02 Au09 58.21(3) . . ?
Au01 Au02 Au0C 113.94(3) . . ?
Au04 Au02 Au05 59.65(3) . . ?
Au04 Au02 Au07 106.42(3) . . ?
Au06 Au02 Au04 108.24(3) . . ?
Au06 Au02 Au05 104.65(4) . . ?
Au06 Au02 Au07 60.24(3) . . ?
Au06 Au02 Au09 61.02(3) . . ?
Au06 Au02 Au0C 152.55(4) . . ?
Au07 Au02 Au05 56.66(3) . . ?
Au09 Au02 Au04 60.11(3) . . ?
Au09 Au02 Au05 106.41(3) . . ?
Au09 Au02 Au07 108.58(4) . . ?
Au09 Au02 Au0C 141.10(4) . . ?
Au0C Au02 Au04 83.14(3) . . ?
Au0C Au02 Au05 58.80(3) . . ?
Au0C Au02 Au07 92.83(3) . . ?
S00J Au02 Au01 162.00(12) . . ?
S00J Au02 Au04 107.21(12) . . ?
S00J Au02 Au05 109.52(12) . . ?
S00J Au02 Au06 139.65(12) . . ?
S00J Au02 Au07 125.26(12) . . ?
S00J Au02 Au09 125.45(13) . . ?
S00J Au02 Au0C 50.75(12) . . ?
Au01 Au03 Au04 58.81(3) . . ?
Au01 Au03 Au05 58.15(3) . . ?
Au01 Au03 Au08 57.86(3) . . ?
Au01 Au03 Au0A 59.62(3) . . ?
Au01 Au03 Au0D 58.42(3) . . ?
Au04 Au03 Au05 62.52(3) . . ?
Au04 Au03 Au08 108.36(3) . . ?
Au04 Au03 Au0A 60.10(3) . . ?
Au04 Au03 Au0D 107.69(3) . . ?
Au05 Au03 Au08 57.92(3) . . ?
Au05 Au03 Au0D 107.52(3) . . ?
Au08 Au03 Au0D 60.92(3) . . ?
Au0A Au03 Au05 110.04(3) . . ?
Au0A Au03 Au08 108.81(3) . . ?
Au0A Au03 Au0D 59.56(3) . . ?
P00I Au03 Au01 177.63(14) . . ?
P00I Au03 Au04 119.00(13) . . ?
P00I Au03 Au05 120.38(13) . . ?
P00I Au03 Au08 123.37(13) . . ?
P00I Au03 Au0A 120.53(12) . . ?
P00I Au03 Au0D 123.86(13) . . ?
Au01 Au04 Au02 59.04(3) . . ?
Au01 Au04 Au03 59.11(3) . . ?
Au01 Au04 Au05 57.09(3) . . ?
Au01 Au04 Au09 58.19(3) . . ?
Au01 Au04 Au0A 59.72(3) . . ?
Au02 Au04 Au05 62.34(3) . . ?
Au03 Au04 Au02 110.35(4) . . ?
Au03 Au04 Au05 59.19(3) . . ?
Au03 Au04 Au09 108.45(4) . . ?
Au03 Au04 Au0A 60.13(3) . . ?
Au09 Au04 Au02 58.74(3) . . ?
Au09 Au04 Au05 107.45(3) . . ?
Au0A Au04 Au02 109.19(3) . . ?
Au0A Au04 Au05 107.43(4) . . ?
Au0A Au04 Au09 60.85(3) . . ?
P00G Au04 Au01 176.48(13) . . ?
P00G Au04 Au02 118.15(13) . . ?
P00G Au04 Au03 121.96(13) . . ?
P00G Au04 Au05 120.10(12) . . ?
P00G Au04 Au09 122.82(13) . . ?
P00G Au04 Au0A 123.79(12) . . ?
Au01 Au05 Au02 57.55(3) . . ?
Au01 Au05 Au03 58.93(3) . . ?
Au01 Au05 Au04 57.55(3) . . ?
Au01 Au05 Au07 59.93(3) . . ?
Au01 Au05 Au08 59.37(3) . . ?
Au01 Au05 Au0C 114.70(4) . . ?
Au03 Au05 Au02 106.07(3) . . ?
Au03 Au05 Au04 58.29(3) . . ?
Au03 Au05 Au0C 136.70(4) . . ?
Au04 Au05 Au02 58.01(3) . . ?
Au07 Au05 Au02 59.55(3) . . ?
Au07 Au05 Au03 112.13(3) . . ?
Au07 Au05 Au04 107.45(3) . . ?
Au07 Au05 Au0C 94.06(3) . . ?
Au08 Au05 Au02 109.54(3) . . ?
Au08 Au05 Au03 61.51(3) . . ?
Au08 Au05 Au04 107.85(3) . . ?
Au08 Au05 Au07 64.09(3) . . ?
Au08 Au05 Au0C 157.74(4) . . ?
Au0C Au05 Au02 57.77(3) . . ?
Au0C Au05 Au04 81.71(3) . . ?
S00H Au05 Au01 164.73(13) . . ?
S00H Au05 Au02 108.20(12) . . ?
S00H Au05 Au03 127.02(11) . . ?
S00H Au05 Au04 111.58(13) . . ?
S00H Au05 Au07 119.82(11) . . ?
S00H Au05 Au08 135.59(13) . . ?
S00H Au05 Au0C 50.53(12) . . ?
Au01 Au06 Au02 60.18(3) . . ?
Au01 Au06 Au07 59.19(3) . . ?
Au01 Au06 Au09 58.33(3) . . ?
Au01 Au06 Au0B 58.61(3) . . ?
Au01 Au06 Au0E 57.44(3) . . ?
Au02 Au06 Au07 61.46(3) . . ?
Au02 Au06 Au09 59.71(3) . . ?
Au02 Au06 Au0B 110.84(3) . . ?
Au02 Au06 Au0E 109.42(3) . . ?
Au07 Au06 Au0E 60.50(3) . . ?
Au09 Au06 Au07 108.51(3) . . ?
Au09 Au06 Au0E 107.35(3) . . ?
Au0B Au06 Au07 107.78(4) . . ?
Au0B Au06 Au09 62.79(3) . . ?
Au0B Au06 Au0E 57.21(3) . . ?
P00N Au06 Au01 178.18(17) . . ?
P00N Au06 Au02 121.36(16) . . ?
P00N Au06 Au07 120.33(13) . . ?
P00N Au06 Au09 123.09(15) . . ?
P00N Au06 Au0B 120.64(14) . . ?
P00N Au06 Au0E 120.74(16) . . ?
Au01 Au07 Au02 58.59(3) . . ?
Au01 Au07 Au05 58.34(3) . . ?
Au01 Au07 Au06 57.79(3) . . ?
Au01 Au07 Au08 56.57(3) . . ?
Au01 Au07 Au0E 57.28(3) . . ?
Au02 Au07 Au08 107.62(3) . . ?
Au02 Au07 Au0E 107.47(3) . . ?
Au05 Au07 Au02 63.79(3) . . ?
Au05 Au07 Au06 108.73(3) . . ?
Au05 Au07 Au08 57.29(3) . . ?
Au05 Au07 Au0E 104.99(3) . . ?
Au06 Au07 Au02 58.29(3) . . ?
Au06 Au07 Au08 106.17(3) . . ?
Au06 Au07 Au0E 61.19(3) . . ?
Au0E Au07 Au08 57.41(3) . . ?
C014 Au07 Au01 171.5(4) . . ?
C014 Au07 Au02 114.9(4) . . ?
C014 Au07 Au05 125.4(4) . . ?
C014 Au07 Au06 114.6(4) . . ?
C014 Au07 Au08 131.9(4) . . ?
C014 Au07 Au0E 124.1(4) . . ?
Au01 Au08 Au03 58.59(3) . . ?
Au01 Au08 Au05 59.33(3) . . ?
Au01 Au08 Au07 58.02(3) . . ?
Au01 Au08 Au0D 58.27(3) . . ?
Au01 Au08 Au0E 58.98(3) . . ?
Au03 Au08 Au07 107.13(4) . . ?
Au03 Au08 Au0D 59.87(3) . . ?
Au05 Au08 Au03 60.57(3) . . ?
Au05 Au08 Au07 58.62(3) . . ?
Au05 Au08 Au0D 108.79(4) . . ?
Au05 Au08 Au0E 108.87(4) . . ?
Au0D Au08 Au07 108.74(3) . . ?
Au0E Au08 Au03 109.40(4) . . ?
Au0E Au08 Au07 60.77(3) . . ?
Au0E Au08 Au0D 61.44(3) . . ?
P00L Au08 Au01 178.05(14) . . ?
P00L Au08 Au03 120.22(13) . . ?
P00L Au08 Au05 121.77(15) . . ?
P00L Au08 Au07 123.87(13) . . ?
P00L Au08 Au0D 119.89(14) . . ?
P00L Au08 Au0E 121.08(14) . . ?
Au01 Au09 Au02 60.01(3) . . ?
Au01 Au09 Au04 58.50(3) . . ?
Au01 Au09 Au06 58.31(3) . . ?
Au01 Au09 Au0A 59.16(3) . . ?
Au01 Au09 Au0B 56.92(3) . . ?
Au02 Au09 Au04 61.15(3) . . ?
Au02 Au09 Au06 59.27(3) . . ?
Au02 Au09 Au0A 109.68(3) . . ?
Au02 Au09 Au0B 106.66(4) . . ?
Au04 Au09 Au0A 59.04(3) . . ?
Au04 Au09 Au0B 108.30(4) . . ?
Au06 Au09 Au04 107.69(3) . . ?
Au06 Au09 Au0A 110.02(4) . . ?
Au06 Au09 Au0B 58.06(3) . . ?
Au0A Au09 Au0B 63.56(3) . . ?
P00M Au09 Au01 178.10(14) . . ?
P00M Au09 Au02 119.50(14) . . ?
P00M Au09 Au04 119.60(14) . . ?
P00M Au09 Au06 123.26(13) . . ?
P00M Au09 Au0A 120.08(13) . . ?
P00M Au09 Au0B 124.61(14) . . ?
Au01 Au0A Au03 58.54(3) . . ?
Au01 Au0A Au04 58.35(3) . . ?
Au01 Au0A Au09 57.52(3) . . ?
Au01 Au0A Au0B 55.04(3) . . ?
Au01 Au0A Au0D 58.70(3) . . ?
Au01 Au0A Au0F 111.81(4) . . ?
Au03 Au0A Au09 107.57(3) . . ?
Au03 Au0A Au0B 104.96(3) . . ?
Au03 Au0A Au0D 61.31(3) . . ?
Au03 Au0A Au0F 151.16(5) . . ?
Au04 Au0A Au03 59.76(3) . . ?
Au04 Au0A Au09 60.11(3) . . ?
Au04 Au0A Au0B 105.97(3) . . ?
Au04 Au0A Au0D 108.81(3) . . ?
Au04 Au0A Au0F 142.31(4) . . ?
Au09 Au0A Au0B 59.47(3) . . ?
Au0D Au0A Au09 107.10(3) . . ?
Au0D Au0A Au0B 57.12(3) . . ?
Au0D Au0A Au0F 90.15(4) . . ?
Au0F Au0A Au09 83.55(3) . . ?
Au0F Au0A Au0B 57.11(3) . . ?
S00K Au0A Au01 159.41(12) . . ?
S00K Au0A Au03 141.98(12) . . ?
S00K Au0A Au04 127.23(16) . . ?
S00K Au0A Au09 105.97(13) . . ?
S00K Au0A Au0B 107.17(14) . . ?
S00K Au0A Au0D 123.55(16) . . ?
S00K Au0A Au0F 50.24(14) . . ?
Au01 Au0B Au06 58.78(3) . . ?
Au01 Au0B Au09 57.09(3) . . ?
Au01 Au0B Au0A 56.70(3) . . ?
Au01 Au0B Au0D 59.35(3) . . ?
Au01 Au0B Au0E 59.78(3) . . ?
Au01 Au0B Au0F 114.28(4) . . ?
Au06 Au0B Au09 59.15(3) . . ?
Au06 Au0B Au0A 105.54(3) . . ?
Au06 Au0B Au0D 112.14(4) . . ?
Au06 Au0B Au0F 138.85(5) . . ?
Au09 Au0B Au0A 56.98(3) . . ?
Au0D Au0B Au09 105.13(3) . . ?
Au0D Au0B Au0A 57.28(3) . . ?
Au0D Au0B Au0F 90.79(3) . . ?
Au0E Au0B Au06 63.69(3) . . ?
Au0E Au0B Au09 109.54(4) . . ?
Au0E Au0B Au0A 107.78(3) . . ?
Au0E Au0B Au0D 63.25(3) . . ?
Au0E Au0B Au0F 153.15(4) . . ?
Au0F Au0B Au09 82.61(4) . . ?
Au0F Au0B Au0A 57.94(3) . . ?
S1 Au0B Au01 164.47(15) . . ?
S1 Au0B Au06 128.30(15) . . ?
S1 Au0B Au09 112.36(16) . . ?
S1 Au0B Au0A 108.50(14) . . ?
S1 Au0B Au0D 118.81(15) . . ?
S1 Au0B Au0E 134.89(15) . . ?
S1 Au0B Au0F 50.60(14) . . ?
Au02 Au0C Au05 63.42(3) . . ?
S00H Au0C Au02 116.08(13) . . ?
S00H Au0C Au05 52.78(12) . . ?
S00H Au0C S00J 170.74(18) . . ?
S00J Au0C Au02 54.71(13) . . ?
S00J Au0C Au05 118.09(13) . . ?
Au01 Au0D Au03 57.99(3) . . ?
Au01 Au0D Au08 57.12(3) . . ?
Au01 Au0D Au0A 59.32(3) . . ?
Au01 Au0D Au0B 58.11(3) . . ?
Au01 Au0D Au0E 57.27(3) . . ?
Au03 Au0D Au08 59.21(3) . . ?
Au03 Au0D Au0E 105.88(3) . . ?
Au08 Au0D Au0E 57.73(3) . . ?
Au0A Au0D Au03 59.13(3) . . ?
Au0A Au0D Au08 107.09(4) . . ?
Au0A Au0D Au0E 109.60(4) . . ?
Au0B Au0D Au03 109.79(4) . . ?
Au0B Au0D Au08 104.61(3) . . ?
Au0B Au0D Au0A 65.60(3) . . ?
Au0B Au0D Au0E 57.21(3) . . ?
C04D Au0D Au01 170.8(5) . . ?
C04D Au0D Au03 114.3(5) . . ?
C04D Au0D Au08 125.0(5) . . ?
C04D Au0D Au0A 113.1(5) . . ?
C04D Au0D Au0B 125.3(5) . . ?
C04D Au0D Au0E 131.9(5) . . ?
Au01 Au0E Au06 57.04(3) . . ?
Au01 Au0E Au07 58.23(3) . . ?
Au01 Au0E Au08 58.44(3) . . ?
Au01 Au0E Au0B 59.17(3) . . ?
Au01 Au0E Au0D 57.89(3) . . ?
Au07 Au0E Au06 58.31(3) . . ?
Au07 Au0E Au0D 109.08(3) . . ?
Au08 Au0E Au06 107.37(4) . . ?
Au08 Au0E Au07 61.81(3) . . ?
Au08 Au0E Au0D 60.83(3) . . ?
Au0B Au0E Au06 59.10(3) . . ?
Au0B Au0E Au07 107.51(4) . . ?
Au0B Au0E Au08 109.04(4) . . ?
Au0B Au0E Au0D 59.54(3) . . ?
Au0D Au0E Au06 105.80(4) . . ?
P00P Au0E Au01 177.81(19) . . ?
P00P Au0E Au06 124.19(16) . . ?
P00P Au0E Au07 120.48(17) . . ?
P00P Au0E Au08 119.50(18) . . ?
P00P Au0E Au0B 122.93(19) . . ?
P00P Au0E Au0D 122.19(16) . . ?
Au0B Au0F Au0A 64.95(3) . . ?
S00K Au0F Au0A 54.46(13) . . ?
S00K Au0F Au0B 119.20(13) . . ?
S1 Au0F Au0A 119.02(16) . . ?
S1 Au0F Au0B 54.12(16) . . ?
S1 Au0F S00K 173.0(2) . . ?
C00W P00G Au04 115.9(5) . . ?
C00X P00G Au04 114.9(5) . . ?
C00X P00G C00W 101.9(7) . . ?
C00X P00G C019 104.3(6) . . ?
C019 P00G Au04 113.1(5) . . ?
C019 P00G C00W 105.4(7) . . ?
Au0C S00H Au05 76.68(14) . . ?
C00V S00H Au05 108.9(5) . . ?
C00V S00H Au0C 106.1(5) . . ?
C01N P00I Au03 107.6(5) . . ?
C02J P00I Au03 117.1(5) . . ?
C02J P00I C01N 103.7(7) . . ?
C02J P00I C01H 100.5(7) . . ?
C01H P00I Au03 118.4(4) . . ?
C01H P00I C01N 108.3(6) . . ?
Au0C S00J Au02 74.53(15) . . ?
C00Z S00J Au02 110.4(5) . . ?
C00Z S00J Au0C 97.9(5) . . ?
Au0F S00K Au0A 75.30(17) . . ?
C00Y S00K Au0A 113.1(5) . . ?
C00Y S00K Au0F 100.8(6) . . ?
C01M P00L Au08 114.0(5) . . ?
C01M P00L C041 102.9(7) . . ?
C041 P00L Au08 111.6(5) . . ?
C01T P00L Au08 118.5(5) . . ?
C01T P00L C01M 101.0(7) . . ?
C01T P00L C041 107.3(7) . . ?
C038 P00M Au09 115.5(5) . . ?
C038 P00M C03L 104.2(7) . . ?
C01W P00M Au09 115.2(5) . . ?
C01W P00M C038 100.7(7) . . ?
C01W P00M C03L 105.4(7) . . ?
C03L P00M Au09 114.2(6) . . ?
C01A P00N Au06 111.2(5) . . ?
C01A P00N C01Q 106.0(7) . . ?
C01A P00N C14 105.0(7) . . ?
C01Q P00N Au06 116.5(5) . . ?
C01Q P00N C14 100.1(7) . . ?
C14 P00N Au06 116.6(5) . . ?
C87 P00P Au0E 114.4(7) . . ?
C29 P00P Au0E 112.0(7) . . ?
C29 P00P C87 102.7(9) . . ?
C1 P00P Au0E 118.0(6) . . ?
C1 P00P C87 102.5(9) . . ?
C1 P00P C29 105.7(9) . . ?
C01R O00Q C01S 123.6(13) . . ?
C03D O00R C02D 117.9(14) . . ?
C01Y C00T H00T 120.0 . . ?
C01Y C00T C014 120.0 . . ?
C014 C00T H00T 120.0 . . ?
C00T C01Y H01Y 120.0 . . ?
C00T C01Y C04E 120.0 . . ?
C04E C01Y H01Y 120.0 . . ?
C01Y C04E H04E 120.0 . . ?
C03C C04E C01Y 120.0 . . ?
C03C C04E H04E 120.0 . . ?
C04E C03C H03C 120.0 . . ?
C04E C03C C017 120.0 . . ?
C017 C03C H03C 120.0 . . ?
C03C C017 H017 120.0 . . ?
C014 C017 C03C 120.0 . . ?
C014 C017 H017 120.0 . . ?
C00T C014 Au07 121.0(7) . . ?
C017 C014 Au07 119.0(7) . . ?
C017 C014 C00T 120.0 . . ?
C02D C00W P00G 115.4(7) . . ?
C02D C00W C01V 120.0 . . ?
C01V C00W P00G 124.6(7) . . ?
C00W C02D O00R 119.4(10) . . ?
C058 C02D O00R 120.5(10) . . ?
C058 C02D C00W 120.0 . . ?
C02D C058 H058 120.0 . . ?
C02D C058 C05I 120.0 . . ?
C05I C058 H058 120.0 . . ?
C058 C05I H05I 120.0 . . ?
C02R C05I C058 120.0 . . ?
C02R C05I H05I 120.0 . . ?
C05I C02R H02R 120.0 . . ?
C05I C02R C01V 120.0 . . ?
C01V C02R H02R 120.0 . . ?
C00W C01V H01V 120.0 . . ?
C02R C01V C00W 120.0 . . ?
C02R C01V H01V 120.0 . . ?
C010 C00X P00G 120.4(8) . . ?
C010 C00X C01O 120.0 . . ?
C01O C00X P00G 119.6(8) . . ?
C00X C010 H010 120.0 . . ?
C012 C010 C00X 120.0 . . ?
C012 C010 H010 120.0 . . ?
C010 C012 H012 120.0 . . ?
C02N C012 C010 120.0 . . ?
C02N C012 H012 120.0 . . ?
C012 C02N H02N 120.0 . . ?
C03O C02N C012 120.0 . . ?
C03O C02N H02N 120.0 . . ?
C02N C03O H03O 120.0 . . ?
C02N C03O C01O 120.0 . . ?
C01O C03O H03O 120.0 . . ?
C00X C01O H01O 120.0 . . ?
C03O C01O C00X 120.0 . . ?
C03O C01O H01O 120.0 . . ?
C03Q C015 H015 120.0 . . ?
C03Q C015 C00V 120.0 . . ?
C00V C015 H015 120.0 . . ?
C015 C03Q H03Q 120.0 . . ?
C05E C03Q C015 120.0 . . ?
C05E C03Q H03Q 120.0 . . ?
C03Q C05E C035 120.0 . . ?
C03Q C05E C36 123.9(15) . . ?
C035 C05E C36 116.1(15) . . ?
C05E C035 H035 120.0 . . ?
C05E C035 C01B 120.0 . . ?
C01B C035 H035 120.0 . . ?
C035 C01B H01B 120.0 . . ?
C035 C01B C00V 120.0 . . ?
C00V C01B H01B 120.0 . . ?
C015 C00V S00H 115.8(8) . . ?
C01B C00V S00H 123.9(8) . . ?
C01B C00V C015 120.0 . . ?
C028 C019 P00G 122.3(7) . . ?
C028 C019 C016 120.0 . . ?
C016 C019 P00G 117.6(7) . . ?
C019 C028 H028 120.0 . . ?
C02G C028 C019 120.0 . . ?
C02G C028 H028 120.0 . . ?
C028 C02G H02G 120.0 . . ?
C028 C02G C02E 120.0 . . ?
C02E C02G H02G 120.0 . . ?
C02G C02E H02E 120.0 . . ?
C02A C02E C02G 120.0 . . ?
C02A C02E H02E 120.0 . . ?
C02E C02A H02A 120.0 . . ?
C02E C02A C016 120.0 . . ?
C016 C02A H02A 120.0 . . ?
C019 C016 H016 120.0 . . ?
C02A C016 C019 120.0 . . ?
C02A C016 H016 120.0 . . ?
C02Y C01A P00N 122.1(8) . . ?
C02Y C01A C01I 120.0 . . ?
C01I C01A P00N 117.9(8) . . ?
C01A C02Y H02Y 120.0 . . ?
C051 C02Y C01A 120.0 . . ?
C051 C02Y H02Y 120.0 . . ?
C02Y C051 H051 120.0 . . ?
C02Y C051 C04L 120.0 . . ?
C04L C051 H051 120.0 . . ?
C051 C04L H04L 120.0 . . ?
C051 C04L C01L 120.0 . . ?
C01L C04L H04L 120.0 . . ?
C04L C01L H01L 120.0 . . ?
C01I C01L C04L 120.0 . . ?
C01I C01L H01L 120.0 . . ?
C01A C01I H01I 120.0 . . ?
C01L C01I C01A 120.0 . . ?
C01L C01I H01I 120.0 . . ?
C038 C01K H01K 120.0 . . ?
C038 C01K C037 120.0 . . ?
C037 C01K H01K 120.0 . . ?
C01K C038 P00M 121.4(8) . . ?
C01K C038 C03P 120.0 . . ?
C03P C038 P00M 118.6(8) . . ?
C038 C03P H03P 120.0 . . ?
C04G C03P C038 120.0 . . ?
C04G C03P H03P 120.0 . . ?
C03P C04G H04G 120.0 . . ?
C03U C04G C03P 120.0 . . ?
C03U C04G H04G 120.0 . . ?
C04G C03U H03U 120.0 . . ?
C04G C03U C037 120.0 . . ?
C037 C03U H03U 120.0 . . ?
C01K C037 H037 120.0 . . ?
C03U C037 C01K 120.0 . . ?
C03U C037 H037 120.0 . . ?
C01R C01M P00L 116.2(7) . . ?
C01R C01M C01J 120.0 . . ?
C01J C01M P00L 123.8(7) . . ?
O00Q C01R C01M 118.1(10) . . ?
O00Q C01R C025 121.7(10) . . ?
C01M C01R C025 120.0 . . ?
C01R C025 H025 120.0 . . ?
C01R C025 C02U 120.0 . . ?
C02U C025 H025 120.0 . . ?
C025 C02U H02U 120.0 . . ?
C048 C02U C025 120.0 . . ?
C048 C02U H02U 120.0 . . ?
C02U C048 H048 120.0 . . ?
C02U C048 C01J 120.0 . . ?
C01J C048 H048 120.0 . . ?
C01M C01J H01J 120.0 . . ?
C048 C01J C01M 120.0 . . ?
C048 C01J H01J 120.0 . . ?
C00U C01N P00I 118.0(7) . . ?
C00U C01N C021 120.0 . . ?
C021 C01N P00I 122.0(7) . . ?
C01N C00U H00U 120.0 . . ?
C03F C00U C01N 120.0 . . ?
C03F C00U H00U 120.0 . . ?
C00U C03F H03F 120.0 . . ?
C02L C03F C00U 120.0 . . ?
C02L C03F H03F 120.0 . . ?
C03F C02L H02L 120.0 . . ?
C03F C02L C04R 120.0 . . ?
C04R C02L H02L 120.0 . . ?
C02L C04R H04R 120.0 . . ?
C021 C04R C02L 120.0 . . ?
C021 C04R H04R 120.0 . . ?
C01N C021 H021 120.0 . . ?
C04R C021 C01N 120.0 . . ?
C04R C021 H021 120.0 . . ?
C03W C01Q P00N 120.4(8) . . ?
C03W C01Q C029 120.0 . . ?
C029 C01Q P00N 119.5(8) . . ?
C01Q C03W H03W 120.0 . . ?
C03Y C03W C01Q 120.0 . . ?
C03Y C03W H03W 120.0 . . ?
C03W C03Y H03Y 120.0 . . ?
C03W C03Y C05Q 120.0 . . ?
C05Q C03Y H03Y 120.0 . . ?
C03Y C05Q H05Q 120.0 . . ?
C033 C05Q C03Y 120.0 . . ?
C033 C05Q H05Q 120.0 . . ?
C05Q C033 H033 120.0 . . ?
C05Q C033 C029 120.0 . . ?
C029 C033 H033 120.0 . . ?
C01Q C029 H029 120.0 . . ?
C033 C029 C01Q 120.0 . . ?
C033 C029 H029 120.0 . . ?
C02W C01W P00M 123.8(8) . . ?
C02W C01W C03D 120.0 . . ?
C03D C01W P00M 115.0(8) . . ?
C01W C02W H02W 120.0 . . ?
C01W C02W C56 120.0 . . ?
C56 C02W H02W 120.0 . . ?
C02W C56 H56 120.0 . . ?
C03B C56 C02W 120.0 . . ?
C03B C56 H56 120.0 . . ?
C56 C03B H03B 120.0 . . ?
C56 C03B C04V 120.0 . . ?
C04V C03B H03B 120.0 . . ?
C03B C04V H04V 120.0 . . ?
C03D C04V C03B 120.0 . . ?
C03D C04V H04V 120.0 . . ?
O00R C03D C01W 115.9(11) . . ?
O00R C03D C04V 123.6(11) . . ?
C04V C03D C01W 120.0 . . ?
C00Z C01Z H01Z 120.0 . . ?
C00Z C01Z C01C 120.0 . . ?
C01C C01Z H01Z 120.0 . . ?
C01Z C00Z S00J 120.3(7) . . ?
C01D C00Z S00J 119.7(7) . . ?
C01D C00Z C01Z 120.0 . . ?
C00Z C01D H01D 120.0 . . ?
C01G C01D C00Z 120.0 . . ?
C01G C01D H01D 120.0 . . ?
C01D C01G H01G 120.0 . . ?
C01D C01G C013 120.0 . . ?
C013 C01G H01G 120.0 . . ?
C01G C013 C03A 120.4(13) . . ?
C01C C013 C01G 120.0 . . ?
C01C C013 C03A 119.5(13) . . ?
C01Z C01C H01C 120.0 . . ?
C013 C01C C01Z 120.0 . . ?
C013 C01C H01C 120.0 . . ?
C056 C027 H027 120.0 . . ?
C056 C027 C036 120.0 . . ?
C036 C027 H027 120.0 . . ?
C027 C056 H056 120.0 . . ?
C027 C056 C04K 120.0 . . ?
C04K C056 H056 120.0 . . ?
C056 C04K H04K 120.0 . . ?
C05G C04K C056 120.0 . . ?
C05G C04K H04K 120.0 . . ?
C04K C05G H05G 120.0 . . ?
C04O C05G C04K 120.0 . . ?
C04O C05G H05G 120.0 . . ?
C05G C04O H04O 120.0 . . ?
C05G C04O C036 120.0 . . ?
C036 C04O H04O 120.0 . . ?
C027 C036 B56 119.1(14) . . ?
C04O C036 C027 120.0 . . ?
C04O C036 B56 120.8(14) . . ?
C044 C02B H02B 120.0 . . ?
C044 C02B C02J 120.0 . . ?
C02J C02B H02B 120.0 . . ?
C02B C044 H044 120.0 . . ?
C03S C044 C02B 120.0 . . ?
C03S C044 H044 120.0 . . ?
C044 C03S H03S 120.0 . . ?
C044 C03S C03H 120.0 . . ?
C03H C03S H03S 120.0 . . ?
C03S C03H H03H 120.0 . . ?
C03S C03H C01S 120.0 . . ?
C01S C03H H03H 120.0 . . ?
O00Q C01S C03H 118.8(11) . . ?
O00Q C01S C02J 121.2(11) . . ?
C02J C01S C03H 120.0 . . ?
C02B C02J P00I 123.4(8) . . ?
C01S C02J P00I 116.1(8) . . ?
C01S C02J C02B 120.0 . . ?
C032 C02M H02M 120.0 . . ?
C032 C02M C03L 120.0 . . ?
C03L C02M H02M 120.0 . . ?
C02M C032 H032 120.0 . . ?
C02M C032 C04A 120.0 . . ?
C04A C032 H032 120.0 . . ?
C032 C04A H04A 120.0 . . ?
C7 C04A C032 120.0 . . ?
C7 C04A H04A 120.0 . . ?
C04A C7 H7 120.0 . . ?
C02X C7 C04A 120.0 . . ?
C02X C7 H7 120.0 . . ?
C7 C02X H02X 120.0 . . ?
C7 C02X C03L 120.0 . . ?
C03L C02X H02X 120.0 . . ?
C02M C03L P00M 121.3(7) . . ?
C02X C03L P00M 118.6(7) . . ?
C02X C03L C02M 120.0 . . ?
C013 C03A H03A 109.5 . . ?
C013 C03A H03D 109.5 . . ?
C013 C03A H03E 109.5 . . ?
H03A C03A H03D 109.5 . . ?
H03A C03A H03E 109.5 . . ?
H03D C03A H03E 109.5 . . ?
C039 C03G C034 120.0 . . ?
C039 C03G C83 119.7(15) . . ?
C034 C03G C83 120.2(15) . . ?
C03G C039 H039 120.0 . . ?
C03G C039 C020 120.0 . . ?
C020 C039 H039 120.0 . . ?
C039 C020 H020 120.0 . . ?
C039 C020 C00Y 120.0 . . ?
C00Y C020 H020 120.0 . . ?
C020 C00Y S00K 123.1(8) . . ?
C02F C00Y S00K 116.8(8) . . ?
C02F C00Y C020 120.0 . . ?
C00Y C02F H02F 120.0 . . ?
C034 C02F C00Y 120.0 . . ?
C034 C02F H02F 120.0 . . ?
C03G C034 H034 120.0 . . ?
C02F C034 C03G 120.0 . . ?
C02F C034 H034 120.0 . . ?
C5 C03X H03X 120.0 . . ?
C5 C03X C87 120.0 . . ?
C87 C03X H03X 120.0 . . ?
C03X C5 H5 120.0 . . ?
C03X C5 C48 120.0 . . ?
C48 C5 H5 120.0 . . ?
C5 C48 H48 120.0 . . ?
C24 C48 C5 120.0 . . ?
C24 C48 H48 120.0 . . ?
C48 C24 H24 120.0 . . ?
C48 C24 C11 120.0 . . ?
C11 C24 H24 120.0 . . ?
C24 C11 C87 120.0 . . ?
O1 C11 C24 118.0(14) . . ?
O1 C11 C87 122.0(14) . . ?
C03X C87 P00P 123.2(11) . . ?
C11 C87 P00P 116.8(11) . . ?
C11 C87 C03X 120.0 . . ?
C043 C041 P00L 122.1(8) . . ?
C043 C041 C02P 120.0 . . ?
C02P C041 P00L 117.9(8) . . ?
C041 C043 H043 120.0 . . ?
C041 C043 C20 120.0 . . ?
C20 C043 H043 120.0 . . ?
C043 C20 H20 120.0 . . ?
C05D C20 C043 120.0 . . ?
C05D C20 H20 120.0 . . ?
C20 C05D H05D 120.0 . . ?
C20 C05D C04X 120.0 . . ?
C04X C05D H05D 120.0 . . ?
C05D C04X H04X 120.0 . . ?
C02P C04X C05D 120.0 . . ?
C02P C04X H04X 120.0 . . ?
C041 C02P H02P 120.0 . . ?
C04X C02P C041 120.0 . . ?
C04X C02P H02P 120.0 . . ?
C02K C049 H049 120.0 . . ?
C02K C049 C60 120.0 . . ?
C60 C049 H049 120.0 . . ?
C049 C02K H02K 120.0 . . ?
C049 C02K C04D 120.0 . . ?
C04D C02K H02K 120.0 . . ?
C02K C04D Au0D 119.4(9) . . ?
C02K C04D C042 120.0 . . ?
C042 C04D Au0D 120.6(9) . . ?
C04D C042 H042 120.0 . . ?
C04D C042 C4 120.0 . . ?
C4 C042 H042 120.0 . . ?
C042 C4 H4 120.0 . . ?
C60 C4 C042 120.0 . . ?
C60 C4 H4 120.0 . . ?
C049 C60 H60 120.0 . . ?
C4 C60 C049 120.0 . . ?
C4 C60 H60 120.0 . . ?
C02Q C04F H04F 120.0 . . ?
C02Q C04F C01H 120.0 . . ?
C01H C04F H04F 120.0 . . ?
C04F C02Q H02Q 120.0 . . ?
C04F C02Q C04B 120.0 . . ?
C04B C02Q H02Q 120.0 . . ?
C02Q C04B H04B 120.0 . . ?
C023 C04B C02Q 120.0 . . ?
C023 C04B H04B 120.0 . . ?
C04B C023 H023 120.0 . . ?
C04B C023 C011 120.0 . . ?
C011 C023 H023 120.0 . . ?
C023 C011 H011 120.0 . . ?
C01H C011 C023 120.0 . . ?
C01H C011 H011 120.0 . . ?
C04F C01H P00I 121.8(6) . . ?
C011 C01H P00I 117.7(6) . . ?
C011 C01H C04F 120.0 . . ?
C01T C04H H04H 120.0 . . ?
C01T C04H C03E 120.0 . . ?
C03E C04H H04H 120.0 . . ?
C04H C01T P00L 118.4(8) . . ?
C04H C01T C01U 120.0 . . ?
C01U C01T P00L 121.4(8) . . ?
C01T C01U H01U 120.0 . . ?
C050 C01U C01T 120.0 . . ?
C050 C01U H01U 120.0 . . ?
C01U C050 H050 120.0 . . ?
C01U C050 C79 120.0 . . ?
C79 C050 H050 120.0 . . ?
C050 C79 H79 120.0 . . ?
C03E C79 C050 120.0 . . ?
C03E C79 H79 120.0 . . ?
C04H C03E H03G 120.0 . . ?
C79 C03E C04H 120.0 . . ?
C79 C03E H03G 120.0 . . ?
C89 C92 H92 120.0 . . ?
C89 C92 C02T 120.0 . . ?
C02T C92 H92 120.0 . . ?
C92 C89 H89 120.0 . . ?
C92 C89 C022 120.0 . . ?
C022 C89 H89 120.0 . . ?
C89 C022 H022 120.0 . . ?
C89 C022 C030 120.0 . . ?
C030 C022 H022 120.0 . . ?
C022 C030 H030 120.0 . . ?
C03J C030 C022 120.0 . . ?
C03J C030 H030 120.0 . . ?
C030 C03J B56 118.2(14) . . ?
C02T C03J C030 120.0 . . ?
C02T C03J B56 121.8(14) . . ?
C92 C02T H02T 120.0 . . ?
C03J C02T C92 120.0 . . ?
C03J C02T H02T 120.0 . . ?
C3 C69 H69 120.0 . . ?
C3 C69 C04Z 120.0 . . ?
C04Z C69 H69 120.0 . . ?
C69 C3 H3 120.0 . . ?
C04N C3 C69 120.0 . . ?
C04N C3 H3 120.0 . . ?
C3 C04N C90 120.0 . . ?
C3 C04N B56 123.6(17) . . ?
C90 C04N B56 116.4(17) . . ?
C04N C90 H90 120.0 . . ?
C04N C90 C05C 120.0 . . ?
C05C C90 H90 120.0 . . ?
C90 C05C H05C 120.0 . . ?
C04Z C05C C90 120.0 . . ?
C04Z C05C H05C 120.0 . . ?
C69 C04Z H04Z 120.0 . . ?
C05C C04Z C69 120.0 . . ?
C05C C04Z H04Z 120.0 . . ?
C036 B56 C10 110.4(19) . . ?
C03J B56 C036 105.1(17) . . ?
C03J B56 C04N 113(2) . . ?
C03J B56 C10 113(2) . . ?
C04N B56 C036 111.9(19) . . ?
C04N B56 C10 103.7(18) . . ?
C03G C83 H83A 109.5 . . ?
C03G C83 H83B 109.5 . . ?
C03G C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C40 C12 H12 120.0 . . ?
C40 C12 C41 120.0 . . ?
C41 C12 H12 120.0 . . ?
C12 C40 H40 120.0 . . ?
C12 C40 C6 120.0 . . ?
C6 C40 H40 120.0 . . ?
C40 C6 H6 120.0 . . ?
C40 C6 C63 120.0 . . ?
C63 C6 H6 120.0 . . ?
C6 C63 H63 120.0 . . ?
C29 C63 C6 120.0 . . ?
C29 C63 H63 120.0 . . ?
C63 C29 P00P 120.0(12) . . ?
C41 C29 P00P 119.9(12) . . ?
C41 C29 C63 120.0 . . ?
C12 C41 H41 120.0 . . ?
C29 C41 C12 120.0 . . ?
C29 C41 H41 120.0 . . ?
C53 C77 H77 120.0 . . ?
C53 C77 C64 120.0 . . ?
C64 C77 H77 120.0 . . ?
C77 C53 H53 120.0 . . ?
C10 C53 C77 120.0 . . ?
C10 C53 H53 120.0 . . ?
C53 C10 B56 119.8(16) . . ?
C49 C10 B56 119.7(16) . . ?
C49 C10 C53 120.0 . . ?
C10 C49 H49 120.0 . . ?
C76 C49 C10 120.0 . . ?
C76 C49 H49 120.0 . . ?
C49 C76 H76 120.0 . . ?
C49 C76 C64 120.0 . . ?
C64 C76 H76 120.0 . . ?
C77 C64 H64 120.0 . . ?
C76 C64 C77 120.0 . . ?
C76 C64 H64 120.0 . . ?
C05E C36 H36A 109.5 . . ?
C05E C36 H36B 109.5 . . ?
C05E C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C15 C1 P00P 119.1(10) . . ?
C15 C1 C13 120.0 . . ?
C13 C1 P00P 120.7(10) . . ?
C1 C15 H15 120.0 . . ?
C59 C15 C1 120.0 . . ?
C59 C15 H15 120.0 . . ?
C15 C59 H59 120.0 . . ?
C15 C59 C22 120.0 . . ?
C22 C59 H59 120.0 . . ?
C59 C22 H22 120.0 . . ?
C2 C22 C59 120.0 . . ?
C2 C22 H22 120.0 . . ?
C22 C2 H2 120.0 . . ?
C22 C2 C13 120.0 . . ?
C13 C2 H2 120.0 . . ?
C1 C13 H13 120.0 . . ?
C2 C13 C1 120.0 . . ?
C2 C13 H13 120.0 . . ?
C11 O1 C32 119.5(15) . . ?
C32 C14 P00N 116.7(8) . . ?
C32 C14 C02S 120.0 . . ?
C02S C14 P00N 123.2(8) . . ?
O1 C32 C14 119.4(12) . . ?
O1 C32 C03M 120.6(12) . . ?
C03M C32 C14 120.0 . . ?
C32 C03M H03M 120.0 . . ?
C03R C03M C32 120.0 . . ?
C03R C03M H03M 120.0 . . ?
C03M C03R H03R 120.0 . . ?
C03M C03R C04U 120.0 . . ?
C04U C03R H03R 120.0 . . ?
C03R C04U H04U 120.0 . . ?
C02S C04U C03R 120.0 . . ?
C02S C04U H04U 120.0 . . ?
C14 C02S H02S 120.0 . . ?
C04U C02S C14 120.0 . . ?
C04U C02S H02S 120.0 . . ?
Au0F S1 Au0B 75.28(19) . . ?
C43 S1 Au0B 107.3(8) . . ?
C43 S1 Au0F 107.8(8) . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C97 C95 H95A 109.5 . . ?
C97 C95 H95B 109.5 . . ?
C97 C95 H95C 109.5 . . ?
C82 C97 C95 129.6(19) . . ?
C82 C97 C96 120.0 . . ?
C96 C97 C95 109.3(18) . . ?
C97 C82 H82 120.0 . . ?
C45 C82 C97 120.0 . . ?
C45 C82 H82 120.0 . . ?
C82 C45 H45 120.0 . . ?
C43 C45 C82 120.0 . . ?
C43 C45 H45 120.0 . . ?
C45 C43 S1 121.5(13) . . ?
C45 C43 C50 120.0 . . ?
C50 C43 S1 118.1(13) . . ?
C43 C50 H50 120.0 . . ?
C96 C50 C43 120.0 . . ?
C96 C50 H50 120.0 . . ?
C97 C96 H96 120.0 . . ?
C50 C96 C97 120.0 . . ?
C50 C96 H96 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 S00J C00Z C01Z 154.4(6) . . . . ?
Au02 S00J C00Z C01D -26.6(9) . . . . ?
Au03 P00I C01N C00U 49.5(8) . . . . ?
Au03 P00I C01N C021 -128.9(7) . . . . ?
Au03 P00I C02J C02B -129.7(8) . . . . ?
Au03 P00I C02J C01S 58.5(9) . . . . ?
Au03 P00I C01H C04F -176.3(6) . . . . ?
Au03 P00I C01H C011 -4.5(9) . . . . ?
Au04 P00G C00W C02D 56.6(8) . . . . ?
Au04 P00G C00W C01V -124.6(7) . . . . ?
Au04 P00G C00X C010 4.8(9) . . . . ?
Au04 P00G C00X C01O -172.6(6) . . . . ?
Au04 P00G C019 C028 -112.6(7) . . . . ?
Au04 P00G C019 C016 63.0(8) . . . . ?
Au05 S00H C00V C015 -75.0(8) . . . . ?
Au05 S00H C00V C01B 111.3(8) . . . . ?
Au06 P00N C01A C02Y -119.0(7) . . . . ?
Au06 P00N C01A C01I 62.3(8) . . . . ?
Au06 P00N C01Q C03W -173.2(7) . . . . ?
Au06 P00N C01Q C029 3.1(11) . . . . ?
Au06 P00N C14 C32 54.5(9) . . . . ?
Au06 P00N C14 C02S -129.3(8) . . . . ?
Au08 P00L C01M C01R 64.0(8) . . . . ?
Au08 P00L C01M C01J -116.2(8) . . . . ?
Au08 P00L C041 C043 -127.6(8) . . . . ?
Au08 P00L C041 C02P 51.5(9) . . . . ?
Au08 P00L C01T C04H 6.3(10) . . . . ?
Au08 P00L C01T C01U -168.4(6) . . . . ?
Au09 P00M C038 C01K 6.0(10) . . . . ?
Au09 P00M C038 C03P -170.9(6) . . . . ?
Au09 P00M C01W C02W -124.4(8) . . . . ?
Au09 P00M C01W C03D 68.0(8) . . . . ?
Au09 P00M C03L C02M -112.8(8) . . . . ?
Au09 P00M C03L C02X 64.6(9) . . . . ?
Au0A S00K C00Y C020 -27.3(11) . . . . ?
Au0A S00K C00Y C02F 155.9(7) . . . . ?
Au0B S1 C43 C45 -70.0(13) . . . . ?
Au0B S1 C43 C50 116.6(11) . . . . ?
Au0C S00H C00V C015 -156.1(7) . . . . ?
Au0C S00H C00V C01B 30.2(10) . . . . ?
Au0C S00J C00Z C01Z -129.2(7) . . . . ?
Au0C S00J C00Z C01D 49.8(8) . . . . ?
Au0D C04D C042 C4 -179.4(13) . . . . ?
Au0E P00P C87 C03X -129.3(10) . . . . ?
Au0E P00P C87 C11 50.6(11) . . . . ?
Au0E P00P C29 C63 -119.9(9) . . . . ?
Au0E P00P C29 C41 61.2(11) . . . . ?
Au0E P00P C1 C15 -168.2(7) . . . . ?
Au0E P00P C1 C13 8.0(12) . . . . ?
Au0F S00K C00Y C020 51.2(9) . . . . ?
Au0F S00K C00Y C02F -125.6(7) . . . . ?
Au0F S1 C43 C45 -149.6(11) . . . . ?
Au0F S1 C43 C50 37.0(13) . . . . ?
P00G C00W C02D O00R -5.0(13) . . . . ?
P00G C00W C02D C058 178.9(10) . . . . ?
P00G C00W C01V C02R -178.8(11) . . . . ?
P00G C00X C010 C012 -177.4(11) . . . . ?
P00G C00X C01O C03O 177.4(10) . . . . ?
P00G C019 C028 C02G 175.5(11) . . . . ?
P00G C019 C016 C02A -175.7(11) . . . . ?
P00I C01N C00U C03F -178.4(10) . . . . ?
P00I C01N C021 C04R 178.4(11) . . . . ?
S00J C00Z C01D C01G -179.0(10) . . . . ?
S00K C00Y C02F C034 176.9(12) . . . . ?
P00L C01M C01R O00Q -6.0(13) . . . . ?
P00L C01M C01R C025 179.8(10) . . . . ?
P00L C01M C01J C048 -179.8(11) . . . . ?
P00L C041 C043 C20 179.1(12) . . . . ?
P00L C041 C02P C04X -179.2(11) . . . . ?
P00L C01T C01U C050 174.6(11) . . . . ?
P00M C038 C03P C04G 177.0(10) . . . . ?
P00M C01W C02W C56 -167.0(12) . . . . ?
P00M C01W C03D O00R -20.1(13) . . . . ?
P00M C01W C03D C04V 168.1(11) . . . . ?
P00N C01A C02Y C051 -178.7(10) . . . . ?
P00N C01A C01I C01L 178.8(10) . . . . ?
P00N C01Q C03W C03Y 176.2(12) . . . . ?
P00N C01Q C029 C033 -176.2(12) . . . . ?
P00N C14 C32 O1 -5.5(14) . . . . ?
P00N C14 C32 C03M 176.3(11) . . . . ?
P00N C14 C02S C04U -176.1(12) . . . . ?
P00P C29 C41 C12 178.9(15) . . . . ?
P00P C1 C15 C59 176.3(13) . . . . ?
P00P C1 C13 C2 -176.2(14) . . . . ?
O00Q C01R C025 C02U -174.0(15) . . . . ?
O00Q C01S C02J P00I -9.5(14) . . . . ?
O00Q C01S C02J C02B 178.4(15) . . . . ?
O00R C02D C058 C05I -176.0(14) . . . . ?
C00T C01Y C04E C03C 0.0 . . . . ?
C01Y C00T C014 Au07 177.4(10) . . . . ?
C01Y C00T C014 C017 0.0 . . . . ?
C01Y C04E C03C C017 0.0 . . . . ?
C04E C03C C017 C014 0.0 . . . . ?
C03C C017 C014 Au07 -177.5(10) . . . . ?
C03C C017 C014 C00T 0.0 . . . . ?
C014 C00T C01Y C04E 0.0 . . . . ?
C00W P00G C00X C010 130.9(8) . . . . ?
C00W P00G C00X C01O -46.5(9) . . . . ?
C00W P00G C019 C028 119.7(8) . . . . ?
C00W P00G C019 C016 -64.6(9) . . . . ?
C00W C02D C058 C05I 0.0 . . . . ?
C02D O00R C03D C01W 159.6(11) . . . . ?
C02D O00R C03D C04V -28.9(19) . . . . ?
C02D C00W C01V C02R 0.0 . . . . ?
C02D C058 C05I C02R 0.0 . . . . ?
C058 C05I C02R C01V 0.0 . . . . ?
C05I C02R C01V C00W 0.0 . . . . ?
C01V C00W C02D O00R 176.0(14) . . . . ?
C01V C00W C02D C058 0.0 . . . . ?
C00X P00G C00W C02D -68.9(9) . . . . ?
C00X P00G C00W C01V 110.0(9) . . . . ?
C00X P00G C019 C028 12.9(10) . . . . ?
C00X P00G C019 C016 -171.5(8) . . . . ?
C00X C010 C012 C02N 0.0 . . . . ?
C010 C00X C01O C03O 0.0 . . . . ?
C010 C012 C02N C03O 0.0 . . . . ?
C012 C02N C03O C01O 0.0 . . . . ?
C02N C03O C01O C00X 0.0 . . . . ?
C01O C00X C010 C012 0.0 . . . . ?
C015 C03Q C05E C035 0.0 . . . . ?
C015 C03Q C05E C36 -178(2) . . . . ?
C03Q C015 C00V S00H -174.0(11) . . . . ?
C03Q C015 C00V C01B 0.0 . . . . ?
C03Q C05E C035 C01B 0.0 . . . . ?
C05E C035 C01B C00V 0.0 . . . . ?
C035 C01B C00V S00H 173.5(12) . . . . ?
C035 C01B C00V C015 0.0 . . . . ?
C00V C015 C03Q C05E 0.0 . . . . ?
C019 P00G C00W C02D -177.5(7) . . . . ?
C019 P00G C00W C01V 1.4(10) . . . . ?
C019 P00G C00X C010 -119.6(9) . . . . ?
C019 P00G C00X C01O 63.0(9) . . . . ?
C019 C028 C02G C02E 0.0 . . . . ?
C028 C019 C016 C02A 0.0 . . . . ?
C028 C02G C02E C02A 0.0 . . . . ?
C02G C02E C02A C016 0.0 . . . . ?
C02E C02A C016 C019 0.0 . . . . ?
C016 C019 C028 C02G 0.0 . . . . ?
C01A P00N C01Q C03W 62.5(10) . . . . ?
C01A P00N C01Q C029 -121.3(9) . . . . ?
C01A P00N C14 C32 178.1(8) . . . . ?
C01A P00N C14 C02S -5.7(11) . . . . ?
C01A C02Y C051 C04L 0.0 . . . . ?
C02Y C01A C01I C01L 0.0 . . . . ?
C02Y C051 C04L C01L 0.0 . . . . ?
C051 C04L C01L C01I 0.0 . . . . ?
C04L C01L C01I C01A 0.0 . . . . ?
C01I C01A C02Y C051 0.0 . . . . ?
C01K C038 C03P C04G 0.0 . . . . ?
C038 P00M C01W C02W 110.6(9) . . . . ?
C038 P00M C01W C03D -57.0(9) . . . . ?
C038 P00M C03L C02M 14.2(10) . . . . ?
C038 P00M C03L C02X -168.5(8) . . . . ?
C038 C01K C037 C03U 0.0 . . . . ?
C038 C03P C04G C03U 0.0 . . . . ?
C03P C04G C03U C037 0.0 . . . . ?
C04G C03U C037 C01K 0.0 . . . . ?
C037 C01K C038 P00M -176.9(11) . . . . ?
C037 C01K C038 C03P 0.0 . . . . ?
C01M P00L C041 C043 109.7(9) . . . . ?
C01M P00L C041 C02P -71.1(9) . . . . ?
C01M P00L C01T C04H 131.5(8) . . . . ?
C01M P00L C01T C01U -43.2(9) . . . . ?
C01M C01R C025 C02U 0.0 . . . . ?
C01R O00Q C01S C03H -56.7(19) . . . . ?
C01R O00Q C01S C02J 124.9(14) . . . . ?
C01R C01M C01J C048 0.0 . . . . ?
C01R C025 C02U C048 0.0 . . . . ?
C025 C02U C048 C01J 0.0 . . . . ?
C02U C048 C01J C01M 0.0 . . . . ?
C01J C01M C01R O00Q 174.2(14) . . . . ?
C01J C01M C01R C025 0.0 . . . . ?
C01N P00I C02J C02B -11.4(11) . . . . ?
C01N P00I C02J C01S 176.8(8) . . . . ?
C01N P00I C01H C04F 60.9(9) . . . . ?
C01N P00I C01H C011 -127.2(8) . . . . ?
C01N C00U C03F C02L 0.0 . . . . ?
C00U C01N C021 C04R 0.0 . . . . ?
C00U C03F C02L C04R 0.0 . . . . ?
C03F C02L C04R C021 0.0 . . . . ?
C02L C04R C021 C01N 0.0 . . . . ?
C021 C01N C00U C03F 0.0 . . . . ?
C01Q P00N C01A C02Y 8.6(9) . . . . ?
C01Q P00N C01A C01I -170.2(7) . . . . ?
C01Q P00N C14 C32 -72.1(9) . . . . ?
C01Q P00N C14 C02S 104.1(10) . . . . ?
C01Q C03W C03Y C05Q 0.0 . . . . ?
C03W C01Q C029 C033 0.0 . . . . ?
C03W C03Y C05Q C033 0.0 . . . . ?
C03Y C05Q C033 C029 0.0 . . . . ?
C05Q C033 C029 C01Q 0.0 . . . . ?
C029 C01Q C03W C03Y 0.0 . . . . ?
C01W P00M C038 C01K 130.8(9) . . . . ?
C01W P00M C038 C03P -46.2(9) . . . . ?
C01W P00M C03L C02M 119.8(9) . . . . ?
C01W P00M C03L C02X -62.9(10) . . . . ?
C01W C02W C56 C03B 0.0 . . . . ?
C02W C01W C03D O00R 171.8(14) . . . . ?
C02W C01W C03D C04V 0.0 . . . . ?
C02W C56 C03B C04V 0.0 . . . . ?
C56 C03B C04V C03D 0.0 . . . . ?
C03B C04V C03D O00R -171.1(16) . . . . ?
C03B C04V C03D C01W 0.0 . . . . ?
C03D O00R C02D C00W 119.6(13) . . . . ?
C03D O00R C02D C058 -64.3(16) . . . . ?
C03D C01W C02W C56 0.0 . . . . ?
C01Z C00Z C01D C01G 0.0 . . . . ?
C00Z C01Z C01C C013 0.0 . . . . ?
C00Z C01D C01G C013 0.0 . . . . ?
C01D C01G C013 C01C 0.0 . . . . ?
C01D C01G C013 C03A -176.8(16) . . . . ?
C01G C013 C01C C01Z 0.0 . . . . ?
C01C C01Z C00Z S00J 179.0(10) . . . . ?
C01C C01Z C00Z C01D 0.0 . . . . ?
C027 C056 C04K C05G 0.0 . . . . ?
C027 C036 B56 C03J -61.5(19) . . . . ?
C027 C036 B56 C04N 62(2) . . . . ?
C027 C036 B56 C10 176.8(13) . . . . ?
C056 C027 C036 C04O 0.0 . . . . ?
C056 C027 C036 B56 -176.2(16) . . . . ?
C056 C04K C05G C04O 0.0 . . . . ?
C04K C05G C04O C036 0.0 . . . . ?
C05G C04O C036 C027 0.0 . . . . ?
C05G C04O C036 B56 176.1(16) . . . . ?
C04O C036 B56 C03J 122.4(16) . . . . ?
C04O C036 B56 C04N -114.3(18) . . . . ?
C04O C036 B56 C10 1(2) . . . . ?
C036 C027 C056 C04K 0.0 . . . . ?
C036 B56 C10 C53 124.6(17) . . . . ?
C036 B56 C10 C49 -64(2) . . . . ?
C02B C044 C03S C03H 0.0 . . . . ?
C044 C02B C02J P00I -171.5(12) . . . . ?
C044 C02B C02J C01S 0.0 . . . . ?
C044 C03S C03H C01S 0.0 . . . . ?
C03S C03H C01S O00Q -178.4(15) . . . . ?
C03S C03H C01S C02J 0.0 . . . . ?
C03H C01S C02J P00I 172.1(11) . . . . ?
C03H C01S C02J C02B 0.0 . . . . ?
C01S O00Q C01R C01M 149.5(12) . . . . ?
C01S O00Q C01R C025 -36(2) . . . . ?
C02J P00I C01N C00U -75.2(9) . . . . ?
C02J P00I C01N C021 106.4(9) . . . . ?
C02J P00I C01H C04F -47.5(9) . . . . ?
C02J P00I C01H C011 124.4(8) . . . . ?
C02J C02B C044 C03S 0.0 . . . . ?
C02M C032 C04A C7 0.0 . . . . ?
C032 C02M C03L P00M 177.3(11) . . . . ?
C032 C02M C03L C02X 0.0 . . . . ?
C032 C04A C7 C02X 0.0 . . . . ?
C04A C7 C02X C03L 0.0 . . . . ?
C7 C02X C03L P00M -177.4(11) . . . . ?
C7 C02X C03L C02M 0.0 . . . . ?
C03L P00M C038 C01K -120.2(9) . . . . ?
C03L P00M C038 C03P 62.9(9) . . . . ?
C03L P00M C01W C02W 2.4(11) . . . . ?
C03L P00M C01W C03D -165.1(8) . . . . ?
C03L C02M C032 C04A 0.0 . . . . ?
C03A C013 C01C C01Z 176.8(16) . . . . ?
C03G C039 C020 C00Y 0.0 . . . . ?
C039 C03G C034 C02F 0.0 . . . . ?
C039 C020 C00Y S00K -176.7(12) . . . . ?
C039 C020 C00Y C02F 0.0 . . . . ?
C020 C00Y C02F C034 0.0 . . . . ?
C00Y C02F C034 C03G 0.0 . . . . ?
C034 C03G C039 C020 0.0 . . . . ?
C03X C5 C48 C24 0.0 . . . . ?
C5 C03X C87 P00P 180.0(15) . . . . ?
C5 C03X C87 C11 0.0 . . . . ?
C5 C48 C24 C11 0.0 . . . . ?
C48 C24 C11 C87 0.0 . . . . ?
C48 C24 C11 O1 -179.9(18) . . . . ?
C24 C11 C87 P00P -180.0(14) . . . . ?
C24 C11 C87 C03X 0.0 . . . . ?
C24 C11 O1 C32 -62(2) . . . . ?
C11 O1 C32 C14 148.6(15) . . . . ?
C11 O1 C32 C03M -33(2) . . . . ?
C87 P00P C29 C63 116.9(12) . . . . ?
C87 P00P C29 C41 -62.0(12) . . . . ?
C87 P00P C1 C15 -41.6(12) . . . . ?
C87 P00P C1 C13 134.6(11) . . . . ?
C87 C03X C5 C48 0.0 . . . . ?
C87 C11 O1 C32 118.6(16) . . . . ?
C041 P00L C01M C01R -175.0(7) . . . . ?
C041 P00L C01M C01J 4.8(10) . . . . ?
C041 P00L C01T C04H -121.1(9) . . . . ?
C041 P00L C01T C01U 64.3(10) . . . . ?
C041 C043 C20 C05D 0.0 . . . . ?
C043 C041 C02P C04X 0.0 . . . . ?
C043 C20 C05D C04X 0.0 . . . . ?
C20 C05D C04X C02P 0.0 . . . . ?
C05D C04X C02P C041 0.0 . . . . ?
C02P C041 C043 C20 0.0 . . . . ?
C049 C02K C04D Au0D 179.4(13) . . . . ?
C049 C02K C04D C042 0.0 . . . . ?
C02K C049 C60 C4 0.0 . . . . ?
C02K C04D C042 C4 0.0 . . . . ?
C04D C042 C4 C60 0.0 . . . . ?
C042 C4 C60 C049 0.0 . . . . ?
C60 C049 C02K C04D 0.0 . . . . ?
C04F C02Q C04B C023 0.0 . . . . ?
C02Q C04F C01H P00I 171.6(10) . . . . ?
C02Q C04F C01H C011 0.0 . . . . ?
C02Q C04B C023 C011 0.0 . . . . ?
C04B C023 C011 C01H 0.0 . . . . ?
C023 C011 C01H P00I -172.0(9) . . . . ?
C023 C011 C01H C04F 0.0 . . . . ?
C01H P00I C01N C00U 178.6(7) . . . . ?
C01H P00I C01N C021 0.2(10) . . . . ?
C01H P00I C02J C02B 100.6(9) . . . . ?
C01H P00I C02J C01S -71.2(9) . . . . ?
C01H C04F C02Q C04B 0.0 . . . . ?
C04H C01T C01U C050 0.0 . . . . ?
C01T P00L C01M C01R -64.2(9) . . . . ?
C01T P00L C01M C01J 115.6(9) . . . . ?
C01T P00L C041 C043 3.7(11) . . . . ?
C01T P00L C041 C02P -177.2(8) . . . . ?
C01T C04H C03E C79 0.0 . . . . ?
C01T C01U C050 C79 0.0 . . . . ?
C01U C050 C79 C03E 0.0 . . . . ?
C050 C79 C03E C04H 0.0 . . . . ?
C03E C04H C01T P00L -174.7(11) . . . . ?
C03E C04H C01T C01U 0.0 . . . . ?
C92 C89 C022 C030 0.0 . . . . ?
C89 C92 C02T C03J 0.0 . . . . ?
C89 C022 C030 C03J 0.0 . . . . ?
C022 C030 C03J C02T 0.0 . . . . ?
C022 C030 C03J B56 179.7(19) . . . . ?
C030 C03J C02T C92 0.0 . . . . ?
C030 C03J B56 C036 -54(2) . . . . ?
C030 C03J B56 C04N -176.2(15) . . . . ?
C030 C03J B56 C10 66(2) . . . . ?
C03J B56 C10 C53 8(3) . . . . ?
C03J B56 C10 C49 179.1(15) . . . . ?
C02T C92 C89 C022 0.0 . . . . ?
C02T C03J B56 C036 125.9(15) . . . . ?
C02T C03J B56 C04N 3(3) . . . . ?
C02T C03J B56 C10 -113.9(18) . . . . ?
C69 C3 C04N C90 0.0 . . . . ?
C69 C3 C04N B56 -179(2) . . . . ?
C3 C69 C04Z C05C 0.0 . . . . ?
C3 C04N C90 C05C 0.0 . . . . ?
C3 C04N B56 C036 -13(3) . . . . ?
C3 C04N B56 C03J 106(2) . . . . ?
C3 C04N B56 C10 -132.0(17) . . . . ?
C04N C90 C05C C04Z 0.0 . . . . ?
C04N B56 C10 C53 -115.3(18) . . . . ?
C04N B56 C10 C49 56(2) . . . . ?
C90 C04N B56 C036 167.8(14) . . . . ?
C90 C04N B56 C03J -74(2) . . . . ?
C90 C04N B56 C10 49(2) . . . . ?
C90 C05C C04Z C69 0.0 . . . . ?
C04Z C69 C3 C04N 0.0 . . . . ?
B56 C03J C02T C92 -180(2) . . . . ?
B56 C04N C90 C05C 179.2(19) . . . . ?
B56 C10 C49 C76 -172(2) . . . . ?
C83 C03G C039 C020 -178.0(18) . . . . ?
C83 C03G C034 C02F 178.0(18) . . . . ?
C12 C40 C6 C63 0.0 . . . . ?
C40 C12 C41 C29 0.0 . . . . ?
C40 C6 C63 C29 0.0 . . . . ?
C6 C63 C29 P00P -178.9(15) . . . . ?
C6 C63 C29 C41 0.0 . . . . ?
C63 C29 C41 C12 0.0 . . . . ?
C29 P00P C87 C03X -7.7(14) . . . . ?
C29 P00P C87 C11 172.2(11) . . . . ?
C29 P00P C1 C15 65.7(12) . . . . ?
C29 P00P C1 C13 -118.1(11) . . . . ?
C41 C12 C40 C6 0.0 . . . . ?
C77 C53 C10 B56 172(2) . . . . ?
C77 C53 C10 C49 0.0 . . . . ?
C53 C77 C64 C76 0.0 . . . . ?
C53 C10 C49 C76 0.0 . . . . ?
C10 C49 C76 C64 0.0 . . . . ?
C49 C76 C64 C77 0.0 . . . . ?
C64 C77 C53 C10 0.0 . . . . ?
C36 C05E C035 C01B 178.3(19) . . . . ?
C1 P00P C87 C03X 101.8(12) . . . . ?
C1 P00P C87 C11 -78.2(11) . . . . ?
C1 P00P C29 C63 9.8(13) . . . . ?
C1 P00P C29 C41 -169.1(10) . . . . ?
C1 C15 C59 C22 0.0 . . . . ?
C15 C1 C13 C2 0.0 . . . . ?
C15 C59 C22 C2 0.0 . . . . ?
C59 C22 C2 C13 0.0 . . . . ?
C22 C2 C13 C1 0.0 . . . . ?
C13 C1 C15 C59 0.0 . . . . ?
O1 C11 C87 P00P -0.1(17) . . . . ?
O1 C11 C87 C03X 179.8(19) . . . . ?
O1 C32 C03M C03R -178.2(15) . . . . ?
C14 P00N C01A C02Y 114.0(8) . . . . ?
C14 P00N C01A C01I -64.8(9) . . . . ?
C14 P00N C01Q C03W -46.5(10) . . . . ?
C14 P00N C01Q C029 129.7(9) . . . . ?
C14 C32 C03M C03R 0.0 . . . . ?
C32 C14 C02S C04U 0.0 . . . . ?
C32 C03M C03R C04U 0.0 . . . . ?
C03M C03R C04U C02S 0.0 . . . . ?
C03R C04U C02S C14 0.0 . . . . ?
C02S C14 C32 O1 178.2(15) . . . . ?
C02S C14 C32 C03M 0.0 . . . . ?
S1 C43 C50 C96 173.5(17) . . . . ?
C95 C97 C82 C45 -167(3) . . . . ?
C95 C97 C96 C50 169(2) . . . . ?
C97 C82 C45 C43 0.0 . . . . ?
C82 C97 C96 C50 0.0 . . . . ?
C82 C45 C43 S1 -173.3(18) . . . . ?
C82 C45 C43 C50 0.0 . . . . ?
C45 C43 C50 C96 0.0 . . . . ?
C43 C50 C96 C97 0.0 . . . . ?
C96 C97 C82 C45 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.439 0.000 0.000 1126.3 188.9 '3.98 C6H14'
2 0.000 0.000 0.500 279.9 69.5 '1.3 C6H14'
3 0.000 0.500 0.000 12.8 0.0 ?
4 0.133 0.407 0.133 7.2 0.0 ?
5 0.867 0.593 0.867 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.172 mm'
_STOE_detector_pixelsize_y       '0.172 mm'
_STOE_detector_size_x            '8.4 cm'
_STOE_detector_size_y            '10.6 cm'
_STOE_evaluation_integration_A   6.0
_STOE_evaluation_integration_B   0.2
_STOE_evaluation_integration_EMS 0.020
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 92.7
_STOE_evaluation_LANA_DXS_max_order 3
_STOE_evaluation_LANA_DYS_max_order 3
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 141.1
_STOE_evaluation_LANA_max_2theta_desired 141.1
_STOE_evaluation_LANA_mean_redundancy 2.4
_STOE_evaluation_LANA_number_refls_after_OR 71860
_STOE_evaluation_LANA_number_refls_outliers 6393
_STOE_evaluation_LANA_number_refls_total 78253
_STOE_evaluation_LANA_number_refls_unique 29881
_STOE_evaluation_LANA_number_refls_written 71860
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          14.7   29.7   44.7   59.7   74.7   89.7  104.7  119.7  134.7
#----------------------------------------------------------------------------
<Resolution>    4.86   2.88   2.00   1.54   1.25   1.09   0.97   0.89   0.84
N(total)         384   1900   3838   4973  15074  16711  15935  13885   5553
<Redundancy>     1.6    1.8    1.8    1.6    3.1    2.9    2.6    2.3    1.8
Complet. [%%]    85.9   98.0   97.5   94.8   97.7   99.2   98.2   96.5   64.2
<I/sigma>       24.2   23.0   19.9    7.1    5.2    3.6    2.6    3.3    2.8
R(int)         0.043  0.044  0.052  0.098  0.071  0.084  0.112  0.089  0.106
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     1
_STOE_measurement_max_exposure_per_frame '2.0 s'
_STOE_measurement_mean_exposure_per_frame '1.8 s'
_STOE_measurement_min_exposure_per_frame '1.0 s'
_STOE_measurement_total_exposure_time '59 min'
_STOE_measurement_total_frame_number 1936
_STOE_measurement_total_run_number 37
_STOE_measurement_tube_power     '30.0 W'

# start Validation Reply Form
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02094 Ang.  
RESPONSE: the week diffraction at high angles
;
# end Validation Reply Form
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2307549'
loop_
_audit_author_name
_audit_author_address
'Chen Zhu'
;Anhui University
China
;
_audit_update_record             
;
2025-04-10 deposited with the CCDC.	2025-05-06 downloaded from the CCDC.
;
_audit_creation_date             2023-09-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C148 H120 Au15 F2 O3 P6 S4, C24 H16 B F4'
_chemical_formula_sum            'C172 H136 Au15 B F6 O3 P6 S4'
_chemical_formula_weight         5644.17
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.7395(14)
_cell_length_b                   22.413(2)
_cell_length_c                   23.670(2)
_cell_angle_alpha                99.314(7)
_cell_angle_beta                 101.816(7)
_cell_angle_gamma                97.815(7)
_cell_volume                     8445.0(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10134
_cell_measurement_temperature    120
_cell_measurement_theta_max      68.79
_cell_measurement_theta_min      2.76
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    25.249
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic blackish black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.220
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             5180
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0890
_diffrn_reflns_av_unetI/netI     0.0986
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            50636
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        62.498
_diffrn_reflns_theta_max         62.498
_diffrn_reflns_theta_min         4.208
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      '1465 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15498
_reflns_number_total             25743
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.175.0 (STOE, 2021)
;
_computing_data_reduction        
;
X-Area Integrate 2.5.1.0 (STOE, 2021)
X-Area LANA 2.6.2.0 (STOE, 2021)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 2.0, Darmstadt 2021
;
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         4.857
_refine_diff_density_min         -2.679
_refine_diff_density_rms         0.325
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1532
_refine_ls_number_reflns         25743
_refine_ls_number_restraints     2065
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0746
_refine_ls_restrained_S_all      0.912
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1244P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1878
_refine_ls_wR_factor_ref         0.2040
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C56, F30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
C00V \\sim C00X \\sim C00Y \\sim C00Z \\sim C010 \\sim C011 \\sim C012 \\sim
C013 \\sim C014 \\sim C015 \\sim C016 \\sim C017 \\sim C018 \\sim C019 \\sim
C01A \\sim C01B \\sim C01C \\sim C01D \\sim C01E \\sim C01F \\sim C01G \\sim
C01H \\sim C01I \\sim C01J \\sim C01K \\sim C01L \\sim C01M \\sim C01N \\sim
C01O \\sim C01P \\sim C01Q \\sim C01R \\sim C01S \\sim C01T \\sim C01U \\sim
C01V \\sim C01W \\sim C01X \\sim C01Y \\sim C01Z \\sim C020 \\sim C021 \\sim
C022 \\sim C023 \\sim C024 \\sim C025 \\sim C026 \\sim C027 \\sim C028 \\sim
C029 \\sim C02A \\sim C02B \\sim C02C \\sim C02D \\sim C02E \\sim C02F \\sim
C02G \\sim C02H \\sim C02I \\sim C02J \\sim C02K \\sim C02L \\sim C02M \\sim
C02N \\sim C02O \\sim C02P \\sim C02Q \\sim C02R \\sim C02S \\sim C02T \\sim
C02U \\sim C02V \\sim C02W \\sim C02X \\sim C02Y \\sim C02Z \\sim C030 \\sim
C031 \\sim C032 \\sim C033 \\sim C034 \\sim C035 \\sim C036 \\sim C037 \\sim
C038 \\sim C039 \\sim C03A \\sim C03B \\sim C03D \\sim C03E \\sim C03F \\sim
C03G \\sim C03H \\sim C03I \\sim C03J \\sim C03K \\sim C03L \\sim C03M \\sim
C03N \\sim C03O \\sim C03P \\sim C03Q \\sim C03R \\sim C03S \\sim C03T \\sim
C03U \\sim C03V \\sim C03W \\sim C03X \\sim C03Y \\sim C03Z \\sim C040 \\sim
C041 \\sim C042 \\sim C043 \\sim C044 \\sim C045 \\sim C046 \\sim C047 \\sim
C048 \\sim C04C \\sim C04D \\sim C04F \\sim C04G \\sim C04H \\sim C04I \\sim
C04J \\sim C04K \\sim C04P \\sim C04R \\sim C051 \\sim C24 \\sim C26 \\sim C27
\\sim C5 \\sim C29 \\sim C32 \\sim C33 \\sim C36 \\sim C37 \\sim C39 \\sim C40
\\sim C41 \\sim C42 \\sim C45 \\sim C50 \\sim C54 \\sim C55 \\sim C60 \\sim C61
\\sim C62 \\sim C68 \\sim C81 \\sim C82 \\sim C95 \\sim C101 \\sim C138 \\sim
C139 \\sim C155 \\sim C38 \\sim C56 \\sim C87 \\sim C99 \\sim C44 \\sim C49
\\sim C2 \\sim C4 \\sim C179 \\sim C48 \\sim C1 \\sim C3 \\sim C51: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C00V) \\sim Ueq, Uanis(C00X) \\sim Ueq, Uanis(C00Y) \\sim Ueq,
Uanis(C00Z) \\sim Ueq, Uanis(C010) \\sim Ueq, Uanis(C011) \\sim Ueq,
Uanis(C012) \\sim Ueq, Uanis(C013) \\sim Ueq, Uanis(C014) \\sim Ueq,
Uanis(C015) \\sim Ueq, Uanis(C016) \\sim Ueq, Uanis(C017) \\sim Ueq,
Uanis(C018) \\sim Ueq, Uanis(C019) \\sim Ueq, Uanis(C01A) \\sim Ueq,
Uanis(C01B) \\sim Ueq, Uanis(C01C) \\sim Ueq, Uanis(C01D) \\sim Ueq,
Uanis(C01E) \\sim Ueq, Uanis(C01F) \\sim Ueq, Uanis(C01G) \\sim Ueq,
Uanis(C01H) \\sim Ueq, Uanis(C01I) \\sim Ueq, Uanis(C01J) \\sim Ueq,
Uanis(C01K) \\sim Ueq, Uanis(C01L) \\sim Ueq, Uanis(C01M) \\sim Ueq,
Uanis(C01N) \\sim Ueq, Uanis(C01O) \\sim Ueq, Uanis(C01P) \\sim Ueq,
Uanis(C01Q) \\sim Ueq, Uanis(C01R) \\sim Ueq, Uanis(C01S) \\sim Ueq,
Uanis(C01T) \\sim Ueq, Uanis(C01U) \\sim Ueq, Uanis(C01V) \\sim Ueq,
Uanis(C01W) \\sim Ueq, Uanis(C01X) \\sim Ueq, Uanis(C01Y) \\sim Ueq,
Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C021) \\sim Ueq,
Uanis(C022) \\sim Ueq, Uanis(C023) \\sim Ueq, Uanis(C024) \\sim Ueq,
Uanis(C025) \\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(C027) \\sim Ueq,
Uanis(C028) \\sim Ueq, Uanis(C029) \\sim Ueq, Uanis(C02A) \\sim Ueq,
Uanis(C02B) \\sim Ueq, Uanis(C02C) \\sim Ueq, Uanis(C02D) \\sim Ueq,
Uanis(C02E) \\sim Ueq, Uanis(C02F) \\sim Ueq, Uanis(C02G) \\sim Ueq,
Uanis(C02H) \\sim Ueq, Uanis(C02I) \\sim Ueq, Uanis(C02J) \\sim Ueq,
Uanis(C02K) \\sim Ueq, Uanis(C02L) \\sim Ueq, Uanis(C02M) \\sim Ueq,
Uanis(C02N) \\sim Ueq, Uanis(C02O) \\sim Ueq, Uanis(C02P) \\sim Ueq,
Uanis(C02Q) \\sim Ueq, Uanis(C02R) \\sim Ueq, Uanis(C02S) \\sim Ueq,
Uanis(C02T) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C02V) \\sim Ueq,
Uanis(C02W) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02Y) \\sim Ueq,
Uanis(C02Z) \\sim Ueq, Uanis(C030) \\sim Ueq, Uanis(C031) \\sim Ueq,
Uanis(C032) \\sim Ueq, Uanis(C033) \\sim Ueq, Uanis(C034) \\sim Ueq,
Uanis(C035) \\sim Ueq, Uanis(C036) \\sim Ueq, Uanis(C037) \\sim Ueq,
Uanis(C038) \\sim Ueq, Uanis(C039) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C03B) \\sim Ueq, Uanis(C03D) \\sim Ueq, Uanis(C03E) \\sim Ueq,
Uanis(C03F) \\sim Ueq, Uanis(C03G) \\sim Ueq, Uanis(C03H) \\sim Ueq,
Uanis(C03I) \\sim Ueq, Uanis(C03J) \\sim Ueq, Uanis(C03K) \\sim Ueq,
Uanis(C03L) \\sim Ueq, Uanis(C03M) \\sim Ueq, Uanis(C03N) \\sim Ueq,
Uanis(C03O) \\sim Ueq, Uanis(C03P) \\sim Ueq, Uanis(C03Q) \\sim Ueq,
Uanis(C03R) \\sim Ueq, Uanis(C03S) \\sim Ueq, Uanis(C03T) \\sim Ueq,
Uanis(C03U) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C03W) \\sim Ueq,
Uanis(C03X) \\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C040) \\sim Ueq, Uanis(C041) \\sim Ueq, Uanis(C042) \\sim Ueq,
Uanis(C043) \\sim Ueq, Uanis(C044) \\sim Ueq, Uanis(C045) \\sim Ueq,
Uanis(C046) \\sim Ueq, Uanis(C047) \\sim Ueq, Uanis(C048) \\sim Ueq,
Uanis(C04C) \\sim Ueq, Uanis(C04D) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C04G) \\sim Ueq, Uanis(C04H) \\sim Ueq, Uanis(C04I) \\sim Ueq,
Uanis(C04J) \\sim Ueq, Uanis(C04K) \\sim Ueq, Uanis(C04P) \\sim Ueq,
Uanis(C04R) \\sim Ueq, Uanis(C051) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C29) \\sim Ueq,
Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq,
Uanis(C42) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C54)
\\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C61) \\sim Ueq,
Uanis(C62) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C82)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C138) \\sim Ueq,
Uanis(C139) \\sim Ueq, Uanis(C155) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C44) \\sim Ueq,
Uanis(C49) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C179)
\\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C3) \\sim Ueq,
Uanis(C51) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C026(H026), C03P(H03P), C03D(H03D), C020(H020), C01I(H01I), C01E(H01E),
 C02X(H02X), C019(H019), C031(H031), C03E(H03E), C032(H032), C04G(H04G),
 C03G(H03G), C015(H015), C037(H037), C03Q(H03Q), C043(H043), C00Z(H00Z),
 C010(H010), C03X(H03X), C03B(H03B), C02T(H02T), C01H(H01H), C04D(H04D),
 C27(H27), C028(H028), C01R(H01R), C02L(H02L), C02Y(H02Y), C02H(H02H),
 C029(H029), C02C(H02C), C01Y(H01Y), C021(H021), C012(H012), C018(H018),
 C01A(H01A), C045(H045), C03N(H03N), C044(H044), C03F(H03F), C02A(H02A),
 C040(H040), C02Q(H02Q), C01P(H01P), C025(H025), C02M(H02M), C03H(H03H),
 C051(H051), C04P(H04P), C03T(H03T), C02E(H02E), C01B(H01B), C01F(H01F),
 C022(H022), C02G(H02G), C01K(H01K), C03L(H03L), C02V(H02V), C04H(H04H),
 C02I(H02I), C01N(H01N), C01M(H01M), C01G(H01G), C02D(H02D), C03I(H03I),
 C01D(H01D), C01Z(H01Z), C03V(H03V), C03M(H03M), C03Z(H03Z), C03J(H03J),
 C048(H048), C02J(H02K), C033(H033), C016(H016), C32(H32), C046(H046), C42(H42),
  C33(H33), C03S(H03S), C039(H039), C02O(H02O), C03Y(H03Y), C038(H038),
 C03A(H03O), C02R(H02R), C03K(H03R), C04I(H04I), C5(H5), C24(H24), C39(H39),
 C87(H87), C40(H40), C36(H36), C041(H041), C60(H60), C034(H034), C02F(H02N),
 C04C(H04E), C138(H138), C99(H99), C139(H139), C41(H41), C04R(H04R), C03U(H03U),
  C62(H62), C101(H101), C95(H95), C55(H55), C68(H68), C38(H38), C29(H29),
 C2(H2), C155(H155), C44(H44), C036(H036), C02P(H02P), C04F(H04F), C49(H49),
 C179(H179), C48(H48), C3(H3), C51(H51)
4.b Fitted hexagon refined as free rotating group:
 C00Y(C026,C03P,C03D,C020,C01X), C011(C01I,C01E,C02X,C019,C031), C013(C03E,
 C032,C04G,C03G,C015), C014(C01U,C037,C03Q,C043,C00Z), C01J(C010,C03X,C04J,C03B,
 C02T), C01O(C00X,C01H,C04D,C27,C028), C01R(C02L,C02Y,C01T,C02H,C029),
 C01S(C02C,C01Y,C021,C012,C018), C01V(C01A,C045,C03N,C044,C03F), C024(C02A,C040,
 C02Q,C01P,C025), C02B(C02M,C03H,C051,C04P,C03T), C02E(C01C,C01B,C01F,C027,
 C022), C02G(C017,C01K,C03L,C02V,C04H), C02I(C01N,C030,C01M,C01G,C03R),
 C02N(C02D,C03I,C01D,C01Z,C02K), C02W(C03V,C03M,C01L,C03Z,C03J), C02Z(C048,C02J,
 C033,C016,C01W), C03O(C32,C046,C42,C33,C03W), C03S(C039,C02O,C03Y,C038,C01Q),
 C042(C03A,C02R,C00V,C03K,C04I), C5(C24,C26,C39,C87,C40), C36(C041,C45,C60,C034,
 C023), C54(C02F,C04C,C138,C99,C139), C61(C41,C04R,C50,C03U,C62), C101(C95,C82,
 C55,C68,C04K), C56(C38,C29,C37,C2,C155), C44(C02S,C036,C02P,C04F,C49), C4(C179,
 C48,C1,C3,C51)
4.c Idealised Me refined as rotating group:
 C02U(H02B,H02F,H02J), C035(H03A,H03C,H03K), C047(H04A,H04B,H04C), C81(H81A,
 H81B,H81C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.34672(5) 0.31427(4) 0.70781(3) 0.0391(2) Uani 1 1 d . . . . .
Au02 Au 0.33524(5) 0.42035(4) 0.66306(3) 0.0397(2) Uani 1 1 d . . . . .
Au03 Au 0.18888(5) 0.33461(4) 0.66154(3) 0.0401(2) Uani 1 1 d . . . . .
Au04 Au 0.29634(5) 0.29570(4) 0.58714(3) 0.0421(2) Uani 1 1 d . . . . .
Au05 Au 0.23341(5) 0.20935(4) 0.64794(4) 0.0437(2) Uani 1 1 d . . . . .
Au06 Au 0.28564(5) 0.40768(4) 0.76992(3) 0.0435(2) Uani 1 1 d . . . . .
Au07 Au 0.46106(5) 0.41910(4) 0.76678(3) 0.0423(2) Uani 1 1 d . . . . .
Au08 Au 0.47460(5) 0.35382(4) 0.65577(3) 0.0426(2) Uani 1 1 d . . . . .
Au09 Au 0.40926(5) 0.22463(4) 0.64359(4) 0.0454(2) Uani 1 1 d . . . . .
Au0A Au 0.50535(5) 0.29888(4) 0.75720(4) 0.0452(2) Uani 1 1 d . . . . .
Au0B Au 0.22339(5) 0.27650(4) 0.76335(4) 0.0462(2) Uani 1 1 d . . . . .
Au0C Au 0.41842(5) 0.35066(4) 0.53182(4) 0.0469(2) Uani 1 1 d . . . . .
Au0D Au 0.39011(5) 0.32481(4) 0.82821(3) 0.0479(2) Uani 1 1 d . . . . .
Au0E Au 0.36048(6) 0.20832(4) 0.75324(4) 0.0493(2) Uani 1 1 d . . . . .
Au0F Au 0.34811(6) 0.43245(5) 0.89653(4) 0.0560(3) Uani 1 1 d . . . . .
S00G S 0.5490(3) 0.3957(2) 0.5882(2) 0.0459(12) Uani 1 1 d . . . . .
P00H P 0.0597(3) 0.3518(2) 0.6220(2) 0.0429(12) Uani 1 1 d . . . . .
S00I S 0.2862(3) 0.3006(2) 0.4855(2) 0.0461(12) Uani 1 1 d . . . . .
P00J P 0.5525(3) 0.5052(3) 0.8185(2) 0.0463(13) Uani 1 1 d . . . . .
P00K P 0.1369(3) 0.1252(2) 0.5972(2) 0.0461(13) Uani 1 1 d . . . . .
S00L S 0.2739(3) 0.4935(3) 0.8433(2) 0.0531(14) Uani 1 1 d . . . . .
P00M P 0.3274(3) 0.5089(2) 0.6274(2) 0.0422(12) Uani 1 1 d . . . . .
S00N S 0.4180(4) 0.3599(3) 0.9330(2) 0.0572(15) Uani 1 1 d . . . . .
P00O P 0.6383(3) 0.2899(3) 0.7976(2) 0.0513(14) Uani 1 1 d . . . . .
P00P P 0.3770(4) 0.1206(3) 0.7885(3) 0.0680(18) Uani 1 1 d . . . . .
O00Q O 0.4451(8) 0.5598(7) 0.7364(5) 0.051(4) Uani 1 1 d . . . . .
O00R O 0.0398(8) 0.2198(6) 0.5834(6) 0.053(4) Uani 1 1 d . . . . .
O00S O 0.5518(10) 0.1710(8) 0.8056(6) 0.066(4) Uani 1 1 d . . . . .
F00U F 0.5882(10) 0.0463(7) 0.5111(8) 0.108(6) Uani 1 1 d . . . . .
F00W F -0.0794(9) 0.2398(9) 0.8713(7) 0.103(6) Uani 1 1 d . . . . .
C00Y C 0.4717(8) 0.5843(6) 0.6937(4) 0.045(4) Uani 1 1 d G U . . .
C026 C 0.5424(8) 0.6288(6) 0.7050(4) 0.055(4) Uani 1 1 d G U . . .
H026 H 0.571425 0.645139 0.743537 0.066 Uiso 1 1 calc R U . . .
C03P C 0.5698(7) 0.6490(6) 0.6585(6) 0.064(4) Uani 1 1 d G U . . .
H03P H 0.617117 0.678787 0.666056 0.076 Uiso 1 1 calc R U . . .
C03D C 0.5265(9) 0.6246(6) 0.6009(5) 0.060(4) Uani 1 1 d G U . . .
H03D H 0.544781 0.638106 0.569839 0.072 Uiso 1 1 calc R U . . .
C020 C 0.4558(8) 0.5801(6) 0.5897(4) 0.053(4) Uani 1 1 d G U . . .
H020 H 0.426755 0.563776 0.551103 0.064 Uiso 1 1 calc R U . . .
C01X C 0.4284(7) 0.5599(6) 0.6361(5) 0.045(4) Uani 1 1 d G U . . .
C011 C 0.0333(8) 0.3547(6) 0.5439(4) 0.048(4) Uani 1 1 d G U . . .
C01I C 0.0935(6) 0.3457(6) 0.5122(5) 0.050(4) Uani 1 1 d G U . . .
H01I H 0.146770 0.343169 0.531687 0.061 Uiso 1 1 calc R U . . .
C01E C 0.0740(7) 0.3404(6) 0.4514(5) 0.050(4) Uani 1 1 d G U . . .
H01E H 0.114250 0.334345 0.430245 0.060 Uiso 1 1 calc R U . . .
C02X C -0.0057(8) 0.3441(7) 0.4223(4) 0.048(4) Uani 1 1 d G U . . .
H02X H -0.018687 0.340559 0.381647 0.058 Uiso 1 1 calc R U . . .
C019 C -0.0658(6) 0.3531(7) 0.4540(5) 0.052(4) Uani 1 1 d G U . . .
H019 H -0.119106 0.355597 0.434491 0.062 Uiso 1 1 calc R U . . .
C031 C -0.0463(7) 0.3584(7) 0.5147(5) 0.052(4) Uani 1 1 d G U . . .
H031 H -0.086588 0.364421 0.535933 0.063 Uiso 1 1 calc R U . . .
C013 C 0.2719(8) 0.5627(6) 0.6629(5) 0.049(4) Uani 1 1 d G U . . .
C03E C 0.2741(9) 0.6213(6) 0.6502(5) 0.054(4) Uani 1 1 d G U . . .
H03E H 0.299138 0.631685 0.620672 0.065 Uiso 1 1 calc R U . . .
C032 C 0.2388(9) 0.6643(5) 0.6816(6) 0.063(4) Uani 1 1 d G U . . .
H032 H 0.240237 0.703420 0.673081 0.075 Uiso 1 1 calc R U . . .
C04G C 0.2013(9) 0.6487(6) 0.7257(6) 0.063(4) Uani 1 1 d G U . . .
H04G H 0.177661 0.677457 0.746701 0.076 Uiso 1 1 calc R U . . .
C03G C 0.1991(9) 0.5902(6) 0.7384(5) 0.058(4) Uani 1 1 d G U . . .
H03G H 0.173985 0.579759 0.767913 0.070 Uiso 1 1 calc R U . . .
C015 C 0.2344(9) 0.5472(5) 0.7070(6) 0.051(4) Uani 1 1 d G U . . .
H015 H 0.232886 0.508024 0.715504 0.061 Uiso 1 1 calc R U . . .
C014 C 0.5093(8) 0.5732(5) 0.8379(5) 0.042(3) Uani 1 1 d G U . . .
C01U C 0.4615(9) 0.5934(6) 0.7918(4) 0.050(4) Uani 1 1 d G U . . .
C037 C 0.4289(8) 0.6468(6) 0.8030(5) 0.057(4) Uani 1 1 d G U . . .
H037 H 0.396923 0.660248 0.772217 0.068 Uiso 1 1 calc R U . . .
C03Q C 0.4443(9) 0.6800(5) 0.8602(6) 0.060(4) Uani 1 1 d G U . . .
H03Q H 0.422538 0.715751 0.867649 0.072 Uiso 1 1 calc R U . . .
C043 C 0.4922(9) 0.6599(6) 0.9062(4) 0.054(4) Uani 1 1 d G U . . .
H043 H 0.502424 0.682128 0.944447 0.065 Uiso 1 1 calc R U . . .
C00Z C 0.5247(8) 0.6065(6) 0.8950(4) 0.048(4) Uani 1 1 d G U . . .
H00Z H 0.556695 0.593004 0.925814 0.057 Uiso 1 1 calc R U . . .
C01J C 0.1228(8) 0.2571(8) 0.7982(6) 0.065(4) Uani 1 1 d G U . . .
C010 C 0.0444(9) 0.2581(7) 0.7650(5) 0.060(4) Uani 1 1 d G U . . .
H010 H 0.037617 0.263445 0.726270 0.072 Uiso 1 1 calc R U . . .
C03X C -0.0240(7) 0.2511(8) 0.7897(6) 0.067(4) Uani 1 1 d G U . . .
H03X H -0.076501 0.251693 0.767524 0.080 Uiso 1 1 calc R U . . .
C04J C -0.0140(8) 0.2431(8) 0.8476(6) 0.069(4) Uani 1 1 d G U . . .
C03B C 0.0645(9) 0.2421(8) 0.8808(5) 0.066(4) Uani 1 1 d G U . . .
H03B H 0.071208 0.236764 0.919564 0.079 Uiso 1 1 calc R U . . .
C02T C 0.1328(7) 0.2492(8) 0.8561(6) 0.068(4) Uani 1 1 d G U . . .
H02T H 0.185328 0.248516 0.878312 0.082 Uiso 1 1 calc R U . . .
C01O C -0.0308(7) 0.2345(6) 0.5972(6) 0.053(4) Uani 1 1 d G U . . .
C00X C -0.0302(7) 0.2948(5) 0.6236(6) 0.043(3) Uani 1 1 d G U . . .
C01H C -0.0985(8) 0.3101(5) 0.6438(6) 0.048(4) Uani 1 1 d G U . . .
H01H H -0.098116 0.350415 0.661394 0.058 Uiso 1 1 calc R U . . .
C04D C -0.1675(6) 0.2653(6) 0.6376(6) 0.060(4) Uani 1 1 d G U . . .
H04D H -0.213190 0.275534 0.651077 0.071 Uiso 1 1 calc R U . . .
C27 C -0.1681(7) 0.2050(6) 0.6112(7) 0.066(4) Uani 1 1 d G U . . .
H27 H -0.214223 0.175016 0.607095 0.079 Uiso 1 1 calc R U . . .
C028 C -0.0998(9) 0.1897(5) 0.5911(6) 0.061(4) Uani 1 1 d G U . . .
H028 H -0.100183 0.149379 0.573430 0.074 Uiso 1 1 calc R U . . .
C01R C 0.1976(8) 0.4717(6) 0.4299(4) 0.054(4) Uani 1 1 d G U . . .
H01R H 0.171687 0.463521 0.390079 0.065 Uiso 1 1 calc R U . . .
C02L C 0.1604(7) 0.5017(6) 0.4709(5) 0.051(4) Uani 1 1 d G U . . .
H02L H 0.109658 0.513695 0.458502 0.061 Uiso 1 1 calc R U . . .
C02Y C 0.1991(8) 0.5139(6) 0.5304(5) 0.049(4) Uani 1 1 d G U . . .
H02Y H 0.174199 0.533993 0.557838 0.059 Uiso 1 1 calc R U . . .
C01T C 0.2749(8) 0.4960(6) 0.5489(4) 0.047(4) Uani 1 1 d G U . . .
C02H C 0.3121(7) 0.4659(6) 0.5079(5) 0.051(4) Uani 1 1 d G U . . .
H02H H 0.362802 0.453943 0.520330 0.061 Uiso 1 1 calc R U . . .
C029 C 0.2734(8) 0.4538(6) 0.4484(5) 0.050(4) Uani 1 1 d G U . . .
H029 H 0.298261 0.433644 0.420994 0.060 Uiso 1 1 calc R U . . .
C01S C 0.0393(9) 0.4248(5) 0.6596(5) 0.053(4) Uani 1 1 d G U . . .
C02C C 0.0234(9) 0.4730(6) 0.6311(4) 0.052(4) Uani 1 1 d G U . . .
H02C H 0.024600 0.469608 0.591604 0.062 Uiso 1 1 calc R U . . .
C01Y C 0.0058(8) 0.5261(5) 0.6616(5) 0.051(4) Uani 1 1 d G U . . .
H01Y H -0.004788 0.558343 0.642511 0.061 Uiso 1 1 calc R U . . .
C021 C 0.0041(9) 0.5311(5) 0.7206(5) 0.052(4) Uani 1 1 d G U . . .
H021 H -0.007697 0.566689 0.741024 0.062 Uiso 1 1 calc R U . . .
C012 C 0.0199(9) 0.4830(6) 0.7491(4) 0.053(4) Uani 1 1 d G U . . .
H012 H 0.018782 0.486299 0.788632 0.064 Uiso 1 1 calc R U . . .
C018 C 0.0376(8) 0.4298(5) 0.7186(5) 0.049(4) Uani 1 1 d G U . . .
H018 H 0.048170 0.397563 0.737726 0.059 Uiso 1 1 calc R U . . .
C01V C 0.7097(9) 0.3450(6) 0.7753(6) 0.056(4) Uani 1 1 d G U . . .
C01A C 0.6948(8) 0.3448(6) 0.7153(5) 0.057(4) Uani 1 1 d G U . . .
H01A H 0.651456 0.316896 0.689411 0.068 Uiso 1 1 calc R U . . .
C045 C 0.7448(9) 0.3863(7) 0.6940(4) 0.062(4) Uani 1 1 d G U . . .
H045 H 0.734869 0.386169 0.653867 0.074 Uiso 1 1 calc R U . . .
C03N C 0.8097(9) 0.4281(6) 0.7327(6) 0.063(4) Uani 1 1 d G U . . .
H03N H 0.843107 0.455826 0.718485 0.076 Uiso 1 1 calc R U . . .
C044 C 0.8245(8) 0.4283(6) 0.7927(5) 0.062(4) Uani 1 1 d G U . . .
H044 H 0.867933 0.456209 0.818647 0.074 Uiso 1 1 calc R U . . .
C03F C 0.7746(9) 0.3868(7) 0.8140(4) 0.062(4) Uani 1 1 d G U . . .
H03F H 0.784521 0.386936 0.854192 0.074 Uiso 1 1 calc R U . . .
C024 C 0.0609(8) 0.0957(7) 0.6350(6) 0.061(4) Uani 1 1 d G U . . .
C02A C -0.0128(9) 0.0581(7) 0.6031(5) 0.060(4) Uani 1 1 d G U . . .
H02A H -0.021626 0.045827 0.562515 0.072 Uiso 1 1 calc R U . . .
C040 C -0.0734(7) 0.0389(7) 0.6318(6) 0.064(4) Uani 1 1 d G U . . .
H040 H -0.122710 0.013748 0.610390 0.077 Uiso 1 1 calc R U . . .
C02Q C -0.0603(8) 0.0572(7) 0.6924(6) 0.068(4) Uani 1 1 d G U . . .
H02Q H -0.100789 0.044375 0.711585 0.081 Uiso 1 1 calc R U . . .
C01P C 0.0134(9) 0.0948(7) 0.7243(5) 0.068(4) Uani 1 1 d G U . . .
H01P H 0.022218 0.107081 0.764905 0.081 Uiso 1 1 calc R U . . .
C025 C 0.0740(8) 0.1140(7) 0.6957(6) 0.067(4) Uani 1 1 d G U . . .
H025 H 0.123304 0.139160 0.717032 0.080 Uiso 1 1 calc R U . . .
C02B C 0.6728(9) 0.3008(7) 0.8776(4) 0.060(4) Uani 1 1 d G U . . .
C02M C 0.6155(7) 0.3138(7) 0.9108(6) 0.058(4) Uani 1 1 d G U . . .
H02M H 0.563407 0.319994 0.892455 0.070 Uiso 1 1 calc R U . . .
C03H C 0.6360(9) 0.3175(8) 0.9714(6) 0.067(4) Uani 1 1 d G U . . .
H03H H 0.597631 0.326222 0.993551 0.081 Uiso 1 1 calc R U . . .
C051 C 0.7138(10) 0.3083(8) 0.9988(4) 0.074(5) Uani 1 1 d G U . . .
H051 H 0.727547 0.310807 1.039300 0.089 Uiso 1 1 calc R U . . .
C04P C 0.7712(8) 0.2953(8) 0.9656(6) 0.069(4) Uani 1 1 d G U . . .
H04P H 0.823238 0.289163 0.983954 0.083 Uiso 1 1 calc R U . . .
C03T C 0.7507(8) 0.2916(8) 0.9050(6) 0.063(4) Uani 1 1 d G U . . .
H03T H 0.789015 0.282934 0.882858 0.076 Uiso 1 1 calc R U . . .
C02E C 0.1389(9) 0.4176(6) 0.8648(6) 0.062(4) Uani 1 1 d G U . . .
H02E H 0.160946 0.384232 0.849703 0.074 Uiso 1 1 calc R U . . .
C01C C 0.1770(7) 0.4770(7) 0.8657(6) 0.056(4) Uani 1 1 d G U . . .
C01B C 0.1441(9) 0.5269(5) 0.8883(6) 0.055(4) Uani 1 1 d G U . . .
H01B H 0.169553 0.566608 0.888910 0.066 Uiso 1 1 calc R U . . .
C01F C 0.0731(9) 0.5173(6) 0.9098(6) 0.060(4) Uani 1 1 d G U . . .
H01F H 0.051034 0.550718 0.924829 0.072 Uiso 1 1 calc R U . . .
C027 C 0.0350(8) 0.4580(7) 0.9088(6) 0.063(4) Uani 1 1 d G U . . .
C022 C 0.0679(9) 0.4081(5) 0.8863(7) 0.063(4) Uani 1 1 d G U . . .
H022 H 0.042425 0.368342 0.885623 0.076 Uiso 1 1 calc R U . . .
C02G C 0.6991(8) 0.4972(7) 0.9016(5) 0.060(4) Uani 1 1 d G U . . .
H02G H 0.729439 0.508250 0.874886 0.072 Uiso 1 1 calc R U . . .
C017 C 0.6137(8) 0.4944(7) 0.8889(4) 0.052(4) Uani 1 1 d G U . . .
C01K C 0.5685(6) 0.4779(7) 0.9287(5) 0.054(4) Uani 1 1 d G U . . .
H01K H 0.511309 0.475975 0.920245 0.065 Uiso 1 1 calc R U . . .
C03L C 0.6086(8) 0.4641(7) 0.9813(5) 0.061(4) Uani 1 1 d G U . . .
H03L H 0.578306 0.453062 1.007984 0.073 Uiso 1 1 calc R U . . .
C02V C 0.6940(8) 0.4669(7) 0.9940(5) 0.060(4) Uani 1 1 d G U . . .
H02V H 0.720869 0.457742 1.029175 0.072 Uiso 1 1 calc R U . . .
C04H C 0.7393(6) 0.4835(7) 0.9541(6) 0.061(4) Uani 1 1 d G U . . .
H04H H 0.796437 0.485336 0.962626 0.074 Uiso 1 1 calc R U . . .
C02I C 0.5924(7) 0.2813(6) 0.5521(6) 0.053(4) Uani 1 1 d G U . . .
H02I H 0.551197 0.264077 0.568633 0.064 Uiso 1 1 calc R U . . .
C01N C 0.6365(9) 0.2436(4) 0.5226(6) 0.057(4) Uani 1 1 d G U . . .
H01N H 0.624769 0.201302 0.519403 0.068 Uiso 1 1 calc R U . . .
C030 C 0.6981(8) 0.2693(5) 0.4979(6) 0.058(4) Uani 1 1 d G U . . .
C01M C 0.7156(7) 0.3326(6) 0.5026(6) 0.048(4) Uani 1 1 d G U . . .
H01M H 0.756830 0.349778 0.486066 0.057 Uiso 1 1 calc R U . . .
C01G C 0.6715(8) 0.3702(4) 0.5321(6) 0.046(4) Uani 1 1 d G U . . .
H01G H 0.683259 0.412554 0.535296 0.055 Uiso 1 1 calc R U . . .
C03R C 0.6099(8) 0.3445(5) 0.5568(6) 0.048(4) Uani 1 1 d G U . . .
C02N C 0.0731(8) 0.1354(6) 0.5267(5) 0.052(4) Uani 1 1 d G U . . .
C02D C 0.0693(9) 0.0981(6) 0.4729(6) 0.061(4) Uani 1 1 d G U . . .
H02D H 0.097648 0.065177 0.471452 0.073 Uiso 1 1 calc R U . . .
C03I C 0.0233(9) 0.1101(6) 0.4214(5) 0.060(4) Uani 1 1 d G U . . .
H03I H 0.020828 0.085116 0.385375 0.072 Uiso 1 1 calc R U . . .
C01D C -0.0190(8) 0.1593(6) 0.4236(5) 0.056(4) Uani 1 1 d G U . . .
H01D H -0.049776 0.167332 0.389051 0.067 Uiso 1 1 calc R U . . .
C01Z C -0.0153(8) 0.1967(5) 0.4773(6) 0.054(4) Uani 1 1 d G U . . .
H01Z H -0.043562 0.229609 0.478803 0.065 Uiso 1 1 calc R U . . .
C02K C 0.0308(9) 0.1847(6) 0.5289(5) 0.053(4) Uani 1 1 d G U . . .
C02U C 0.7466(16) 0.2290(12) 0.4653(11) 0.072(6) Uani 1 1 d . U . . .
H02B H 0.793378 0.221753 0.492767 0.109 Uiso 1 1 calc R U . . .
H02F H 0.765605 0.249099 0.436438 0.109 Uiso 1 1 calc R U . . .
H02J H 0.711519 0.190463 0.446100 0.109 Uiso 1 1 calc R U . . .
C02W C 0.2958(9) 0.2276(5) 0.4445(6) 0.059(4) Uani 1 1 d G U . . .
C03V C 0.2280(7) 0.1801(7) 0.4298(6) 0.062(4) Uani 1 1 d G U . . .
H03V H 0.179642 0.185937 0.441776 0.075 Uiso 1 1 calc R U . . .
C03M C 0.2326(8) 0.1238(6) 0.3971(6) 0.064(4) Uani 1 1 d G U . . .
H03M H 0.187265 0.091947 0.387201 0.077 Uiso 1 1 calc R U . . .
C01L C 0.3049(9) 0.1150(5) 0.3791(6) 0.064(4) Uani 1 1 d G U . . .
C03Z C 0.3726(7) 0.1625(7) 0.3939(7) 0.066(4) Uani 1 1 d G U . . .
H03Z H 0.421003 0.156678 0.381874 0.080 Uiso 1 1 calc R U . . .
C03J C 0.3681(7) 0.2189(6) 0.4266(6) 0.061(4) Uani 1 1 d G U . . .
H03J H 0.413382 0.250669 0.436449 0.073 Uiso 1 1 calc R U . . .
C02Z C 0.6217(8) 0.1664(8) 0.7871(7) 0.066(4) Uani 1 1 d G U . . .
C048 C 0.6454(9) 0.1093(6) 0.7773(7) 0.070(4) Uani 1 1 d G U . . .
H048 H 0.613992 0.075203 0.784816 0.085 Uiso 1 1 calc R U . . .
C02J C 0.7160(10) 0.1030(6) 0.7561(7) 0.072(5) Uani 1 1 d G U . . .
H02K H 0.731867 0.064783 0.749534 0.087 Uiso 1 1 calc R U . . .
C033 C 0.7630(8) 0.1539(8) 0.7448(7) 0.075(5) Uani 1 1 d G U . . .
H033 H 0.810210 0.149767 0.730682 0.090 Uiso 1 1 calc R U . . .
C016 C 0.7393(9) 0.2111(6) 0.7547(7) 0.069(4) Uani 1 1 d G U . . .
H016 H 0.770679 0.245171 0.747111 0.083 Uiso 1 1 calc R U . . .
C01W C 0.6687(10) 0.2173(6) 0.7758(7) 0.066(4) Uani 1 1 d G U . . .
C035 C 0.3101(16) 0.0542(11) 0.3440(11) 0.071(6) Uani 1 1 d . U . . .
H03A H 0.275725 0.022061 0.354753 0.107 Uiso 1 1 calc R U . . .
H03C H 0.366507 0.047714 0.352071 0.107 Uiso 1 1 calc R U . . .
H03K H 0.291459 0.054025 0.302855 0.107 Uiso 1 1 calc R U . . .
F03C F -0.0996(13) 0.5821(11) 0.9090(12) 0.161(10) Uani 1 1 d . . . . .
C03O C 0.4597(10) 0.1314(9) 0.8571(6) 0.078(5) Uani 1 1 d G U . . .
C32 C 0.4431(9) 0.1175(8) 0.9091(8) 0.080(5) Uani 1 1 d G U . . .
H32 H 0.388768 0.104689 0.911273 0.096 Uiso 1 1 calc R U . . .
C046 C 0.5078(12) 0.1226(9) 0.9580(6) 0.085(5) Uani 1 1 d G U . . .
H046 H 0.496700 0.113321 0.992808 0.102 Uiso 1 1 calc R U . . .
C42 C 0.5890(10) 0.1417(9) 0.9548(6) 0.086(5) Uani 1 1 d G U . . .
H42 H 0.632286 0.145179 0.987487 0.103 Uiso 1 1 calc R U . . .
C33 C 0.6056(8) 0.1556(9) 0.9028(8) 0.082(5) Uani 1 1 d G U . . .
H33 H 0.659939 0.168406 0.900632 0.099 Uiso 1 1 calc R U . . .
C03W C 0.5409(11) 0.1505(9) 0.8539(6) 0.078(5) Uani 1 1 d G U . . .
C03S C 0.1525(8) 0.0004(7) 0.5786(6) 0.065(4) Uani 1 1 d G U . . .
H03S H 0.111555 -0.006278 0.599369 0.077 Uiso 1 1 calc R U . . .
C039 C 0.1834(10) -0.0490(5) 0.5528(7) 0.068(4) Uani 1 1 d G U . . .
H039 H 0.163134 -0.088682 0.556252 0.081 Uiso 1 1 calc R U . . .
C02O C 0.2445(9) -0.0391(6) 0.5218(7) 0.068(4) Uani 1 1 d G U . . .
H02O H 0.265157 -0.072104 0.504557 0.082 Uiso 1 1 calc R U . . .
C03Y C 0.2747(8) 0.0202(7) 0.5167(6) 0.063(4) Uani 1 1 d G U . . .
H03Y H 0.315603 0.026877 0.495977 0.076 Uiso 1 1 calc R U . . .
C038 C 0.2438(9) 0.0696(5) 0.5425(7) 0.061(4) Uani 1 1 d G U . . .
H038 H 0.264026 0.109281 0.539094 0.073 Uiso 1 1 calc R U . . .
C01Q C 0.1827(9) 0.0597(6) 0.5735(6) 0.061(4) Uani 1 1 d G U . . .
C042 C 0.5505(10) 0.0853(7) 0.5390(7) 0.069(4) Uani 1 1 d G U . . .
C03A C 0.4786(10) 0.1010(7) 0.5088(5) 0.067(4) Uani 1 1 d G U . . .
H03O H 0.458544 0.085220 0.468712 0.081 Uiso 1 1 calc R U . . .
C02R C 0.4366(8) 0.1404(7) 0.5383(6) 0.070(4) Uani 1 1 d G U . . .
H02R H 0.388454 0.150908 0.518052 0.084 Uiso 1 1 calc R U . . .
C00V C 0.4665(9) 0.1640(7) 0.5982(6) 0.061(4) Uani 1 1 d G U . . .
C03K C 0.5384(10) 0.1482(7) 0.6284(5) 0.071(4) Uani 1 1 d G U . . .
H03R H 0.558464 0.164022 0.668481 0.086 Uiso 1 1 calc R U . . .
C04I C 0.5804(8) 0.1089(8) 0.5989(7) 0.072(4) Uani 1 1 d G U . . .
H04I H 0.628555 0.098334 0.619141 0.087 Uiso 1 1 calc R U . . .
C047 C -0.0396(15) 0.4466(13) 0.9341(10) 0.072(6) Uani 1 1 d . U . . .
H04A H -0.024058 0.432830 0.970520 0.109 Uiso 1 1 calc R U . . .
H04B H -0.081272 0.415660 0.906848 0.109 Uiso 1 1 calc R U . . .
H04C H -0.061271 0.483910 0.941109 0.109 Uiso 1 1 calc R U . . .
C5 C 0.4166(12) 0.0102(9) 0.6422(6) 0.086(5) Uani 1 1 d G U . . .
H5 H 0.408947 0.009499 0.602086 0.103 Uiso 1 1 calc R U . . .
C24 C 0.3934(11) 0.0571(8) 0.6781(8) 0.082(5) Uani 1 1 d G U . . .
H24 H 0.370327 0.087799 0.661920 0.099 Uiso 1 1 calc R U . . .
C26 C 0.4048(12) 0.0583(8) 0.7381(8) 0.087(5) Uani 1 1 d G U . . .
C39 C 0.4394(13) 0.0124(9) 0.7623(6) 0.098(5) Uani 1 1 d G U . . .
H39 H 0.447013 0.013184 0.802467 0.118 Uiso 1 1 calc R U . . .
C87 C 0.4625(12) -0.0345(8) 0.7265(9) 0.099(5) Uani 1 1 d G U . . .
H87 H 0.485633 -0.065116 0.742634 0.119 Uiso 1 1 calc R U . . .
C40 C 0.4511(12) -0.0356(8) 0.6664(8) 0.093(5) Uani 1 1 d G U . . .
H40 H 0.466601 -0.066959 0.642444 0.111 Uiso 1 1 calc R U . . .
C36 C 0.2891(11) 0.3403(6) 0.9886(7) 0.075(5) Uani 1 1 d G U . . .
H36 H 0.285080 0.381421 0.989386 0.090 Uiso 1 1 calc R U . . .
C041 C 0.2378(10) 0.3045(9) 1.0142(7) 0.083(5) Uani 1 1 d G U . . .
H041 H 0.199457 0.321627 1.032104 0.100 Uiso 1 1 calc R U . . .
C45 C 0.2439(11) 0.2431(8) 1.0131(8) 0.093(5) Uani 1 1 d G U . . .
C60 C 0.3012(12) 0.2175(6) 0.9863(8) 0.090(5) Uani 1 1 d G U . . .
H60 H 0.305283 0.176439 0.985562 0.108 Uiso 1 1 calc R U . . .
C034 C 0.3525(10) 0.2533(8) 0.9607(7) 0.079(5) Uani 1 1 d G U . . .
H034 H 0.390907 0.236232 0.942844 0.095 Uiso 1 1 calc R U . . .
C023 C 0.3465(10) 0.3148(8) 0.9619(7) 0.072(5) Uani 1 1 d G U . . .
F44 F 0.3984(16) 0.8472(19) 0.8694(14) 0.246(18) Uani 1 1 d . . . . .
C54 C 0.2866(12) 0.0868(12) 0.8049(10) 0.119(6) Uani 1 1 d G U . . .
C02F C 0.2486(15) 0.1248(9) 0.8393(10) 0.111(6) Uani 1 1 d G U . . .
H02N H 0.271333 0.166255 0.852195 0.133 Uiso 1 1 calc R U . . .
C04C C 0.1764(15) 0.1010(11) 0.8543(9) 0.117(6) Uani 1 1 d G U . . .
H04E H 0.150981 0.126471 0.877342 0.141 Uiso 1 1 calc R U . . .
C138 C 0.1424(12) 0.0391(12) 0.8350(11) 0.130(7) Uani 1 1 d G U . . .
H138 H 0.094152 0.023141 0.845087 0.157 Uiso 1 1 calc R U . . .
C99 C 0.1805(16) 0.0010(9) 0.8006(11) 0.138(7) Uani 1 1 d G U . . .
H99 H 0.157674 -0.040407 0.787685 0.166 Uiso 1 1 calc R U . . .
C139 C 0.2526(16) 0.0248(11) 0.7855(10) 0.131(7) Uani 1 1 d G U . . .
H139 H 0.278026 -0.000624 0.762538 0.157 Uiso 1 1 calc R U . . .
C61 C 0.0263(12) 0.7571(7) 0.9203(9) 0.095(5) Uani 1 1 d G U . . .
C41 C 0.0096(12) 0.7375(9) 0.9701(7) 0.096(5) Uani 1 1 d G U . . .
H41 H 0.027452 0.763694 1.006658 0.116 Uiso 1 1 calc R U . . .
C04R C -0.0337(13) 0.6787(10) 0.9653(7) 0.096(5) Uani 1 1 d G U . . .
H04R H -0.044891 0.665598 0.998606 0.115 Uiso 1 1 calc R U . . .
C50 C -0.0604(12) 0.6396(7) 0.9106(9) 0.096(5) Uani 1 1 d G U . . .
C03U C -0.0437(13) 0.6592(9) 0.8608(7) 0.097(5) Uani 1 1 d G U . . .
H03U H -0.061487 0.633007 0.824222 0.117 Uiso 1 1 calc R U . . .
C62 C -0.0003(13) 0.7180(10) 0.8656(7) 0.100(6) Uani 1 1 d G U . . .
H62 H 0.010856 0.731103 0.832273 0.120 Uiso 1 1 calc R U . . .
C81 C 0.184(2) 0.2029(17) 1.0411(14) 0.114(9) Uani 1 1 d . U . . .
H81A H 0.209389 0.205753 1.082017 0.171 Uiso 1 1 calc R U . . .
H81B H 0.174859 0.160840 1.021089 0.171 Uiso 1 1 calc R U . . .
H81C H 0.132581 0.217429 1.037504 0.171 Uiso 1 1 calc R U . . .
B100 B 0.077(2) 0.8318(17) 0.9236(16) 0.093(12) Uani 1 1 d . . . . .
C101 C 0.1892(15) 0.7764(10) 0.8804(11) 0.122(7) Uani 1 1 d G U . . .
H101 H 0.153773 0.738758 0.872505 0.147 Uiso 1 1 calc R U . . .
C95 C 0.2676(17) 0.7793(11) 0.8688(10) 0.125(7) Uani 1 1 d G U . . .
H95 H 0.284566 0.743738 0.853021 0.150 Uiso 1 1 calc R U . . .
C82 C 0.3206(12) 0.8355(14) 0.8806(11) 0.127(7) Uani 1 1 d G U . . .
C55 C 0.2952(15) 0.8888(10) 0.9041(11) 0.128(7) Uani 1 1 d G U . . .
H55 H 0.330698 0.926351 0.912037 0.153 Uiso 1 1 calc R U . . .
C68 C 0.2169(17) 0.8858(10) 0.9158(10) 0.128(7) Uani 1 1 d G U . . .
H68 H 0.199905 0.921373 0.931521 0.153 Uiso 1 1 calc R U . . .
C04K C 0.1639(12) 0.8296(13) 0.9039(11) 0.122(7) Uani 1 1 d G U . . .
F28 F -0.1413(18) 0.9290(13) 0.7497(12) 0.206(14) Uani 1 1 d . . . . .
F30 F 0.113(2) 0.9514(15) 1.1659(12) 0.237(17) Uani 1 1 d . U . . .
C56 C 0.1122(18) 0.9277(12) 1.1075(9) 0.135(7) Uani 1 1 d G U . . .
C38 C 0.1650(15) 0.8876(13) 1.0937(11) 0.131(7) Uani 1 1 d G U . . .
H38 H 0.204771 0.878932 1.123419 0.157 Uiso 1 1 calc R U . . .
C29 C 0.1582(15) 0.8605(11) 1.0354(13) 0.128(7) Uani 1 1 d G U . . .
H29 H 0.193524 0.833738 1.026105 0.154 Uiso 1 1 calc R U . . .
C37 C 0.0987(18) 0.8735(12) 0.9909(9) 0.130(7) Uani 1 1 d G U . . .
C2 C 0.0460(15) 0.9136(13) 1.0048(11) 0.136(7) Uani 1 1 d G U . . .
H2 H 0.006197 0.922264 0.975029 0.163 Uiso 1 1 calc R U . . .
C155 C 0.0527(16) 0.9407(11) 1.0631(13) 0.140(7) Uani 1 1 d G U . . .
H155 H 0.017443 0.967459 1.072343 0.168 Uiso 1 1 calc R U . . .
C44 C 0.6858(9) 0.5893(6) 0.8083(5) 0.061(4) Uani 1 1 d G U . . .
H44 H 0.684658 0.609932 0.845488 0.073 Uiso 1 1 calc R U . . .
C02S C 0.6301(8) 0.5353(6) 0.7822(6) 0.057(4) Uani 1 1 d G U . . .
C036 C 0.6319(8) 0.5045(6) 0.7266(6) 0.057(4) Uani 1 1 d G U . . .
H036 H 0.594606 0.468403 0.709106 0.068 Uiso 1 1 calc R U . . .
C02P C 0.6893(9) 0.5278(6) 0.6973(5) 0.059(4) Uani 1 1 d G U . . .
H02P H 0.690460 0.507161 0.660122 0.071 Uiso 1 1 calc R U . . .
C04F C 0.7450(8) 0.5818(7) 0.7235(6) 0.065(4) Uani 1 1 d G U . . .
H04F H 0.783414 0.597305 0.703820 0.078 Uiso 1 1 calc R U . . .
C49 C 0.7433(8) 0.6126(6) 0.7790(6) 0.068(4) Uani 1 1 d G U . . .
H49 H 0.780514 0.648691 0.796503 0.081 Uiso 1 1 calc R U . . .
C4 C -0.083(2) 0.9108(13) 0.7892(12) 0.147(8) Uani 1 1 d G U . . .
C179 C -0.1165(15) 0.8917(13) 0.8338(14) 0.149(8) Uani 1 1 d G U . . .
H179 H -0.170853 0.895391 0.835090 0.178 Uiso 1 1 calc R U . . .
C48 C -0.069(2) 0.8672(13) 0.8765(11) 0.151(8) Uani 1 1 d G U . . .
H48 H -0.091134 0.854419 0.906357 0.181 Uiso 1 1 calc R U . . .
C1 C 0.012(2) 0.8617(13) 0.8746(12) 0.147(8) Uani 1 1 d G U . . .
C3 C 0.0458(15) 0.8808(13) 0.8300(14) 0.152(8) Uani 1 1 d G U . . .
H3 H 0.100126 0.877095 0.828782 0.183 Uiso 1 1 calc R U . . .
C51 C -0.002(2) 0.9053(13) 0.7873(11) 0.152(8) Uani 1 1 d G U . . .
H51 H 0.020408 0.918068 0.757514 0.183 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.7691(13) . ?
Au01 Au03 2.7735(12) . ?
Au01 Au04 2.7523(11) . ?
Au01 Au05 2.7825(12) . ?
Au01 Au06 2.7913(11) . ?
Au01 Au07 2.7845(12) . ?
Au01 Au08 2.7933(12) . ?
Au01 Au09 2.7708(11) . ?
Au01 Au0A 2.7648(12) . ?
Au01 Au0B 2.7755(12) . ?
Au01 Au0D 2.7555(11) . ?
Au01 Au0E 2.7788(13) . ?
Au02 Au03 2.8909(12) . ?
Au02 Au04 2.9764(11) . ?
Au02 Au06 2.8629(11) . ?
Au02 Au07 2.8957(12) . ?
Au02 Au08 2.9534(12) . ?
Au02 P00M 2.288(6) . ?
Au03 Au04 2.8851(11) . ?
Au03 Au05 2.9859(12) . ?
Au03 Au06 2.8465(11) . ?
Au03 Au0B 2.9132(13) . ?
Au03 P00H 2.284(5) . ?
Au04 Au05 2.8095(13) . ?
Au04 Au08 3.0844(12) . ?
Au04 Au09 2.8929(13) . ?
Au04 Au0C 2.8882(12) . ?
Au04 S00I 2.399(5) . ?
Au05 Au09 2.9419(12) . ?
Au05 Au0B 2.9463(11) . ?
Au05 Au0E 2.9323(13) . ?
Au05 P00K 2.291(5) . ?
Au06 Au07 2.9299(12) . ?
Au06 Au0B 2.9506(13) . ?
Au06 Au0D 3.0226(13) . ?
Au06 Au0F 2.8989(12) . ?
Au06 S00L 2.431(5) . ?
Au07 Au08 2.8611(10) . ?
Au07 Au0A 2.8766(13) . ?
Au07 Au0D 3.0016(13) . ?
Au07 P00J 2.288(5) . ?
Au08 Au09 2.8987(13) . ?
Au08 Au0A 2.8579(13) . ?
Au08 Au0C 2.8779(12) . ?
Au08 S00G 2.444(5) . ?
Au09 Au0A 2.9394(12) . ?
Au09 Au0E 2.9379(12) . ?
Au09 C00V 2.056(10) . ?
Au0A Au0D 2.8636(11) . ?
Au0A Au0E 2.9182(13) . ?
Au0A P00O 2.286(5) . ?
Au0B Au0D 2.8641(13) . ?
Au0B Au0E 2.9528(13) . ?
Au0B C01J 2.047(10) . ?
Au0C S00G 2.312(5) . ?
Au0C S00I 2.301(5) . ?
Au0D Au0E 2.8281(13) . ?
Au0D Au0F 2.9316(13) . ?
Au0D S00N 2.405(5) . ?
Au0E P00P 2.286(7) . ?
Au0F S00L 2.320(6) . ?
Au0F S00N 2.305(6) . ?
S00G C03R 1.805(10) . ?
P00H C011 1.826(10) . ?
P00H C00X 1.847(10) . ?
P00H C01S 1.842(10) . ?
S00I C02W 1.806(11) . ?
P00J C014 1.807(10) . ?
P00J C017 1.838(11) . ?
P00J C02S 1.814(11) . ?
P00K C024 1.814(11) . ?
P00K C02N 1.855(11) . ?
P00K C01Q 1.810(11) . ?
S00L C01C 1.817(11) . ?
P00M C01X 1.861(11) . ?
P00M C013 1.822(10) . ?
P00M C01T 1.843(10) . ?
S00N C023 1.776(14) . ?
P00O C01V 1.817(12) . ?
P00O C02B 1.828(11) . ?
P00O C01W 1.797(12) . ?
P00P C03O 1.863(14) . ?
P00P C26 1.859(15) . ?
P00P C54 1.742(19) . ?
O00Q C00Y 1.347(16) . ?
O00Q C01U 1.356(14) . ?
O00R C01O 1.357(16) . ?
O00R C02K 1.366(15) . ?
O00S C02Z 1.343(19) . ?
O00S C03W 1.335(19) . ?
F00U C042 1.316(16) . ?
F00W C04J 1.328(16) . ?
C00Y C026 1.3900 . ?
C00Y C01X 1.3900 . ?
C026 H026 0.9300 . ?
C026 C03P 1.3900 . ?
C03P H03P 0.9300 . ?
C03P C03D 1.3900 . ?
C03D H03D 0.9300 . ?
C03D C020 1.3900 . ?
C020 H020 0.9300 . ?
C020 C01X 1.3900 . ?
C011 C01I 1.3900 . ?
C011 C031 1.3900 . ?
C01I H01I 0.9300 . ?
C01I C01E 1.3900 . ?
C01E H01E 0.9300 . ?
C01E C02X 1.3900 . ?
C02X H02X 0.9300 . ?
C02X C019 1.3900 . ?
C019 H019 0.9300 . ?
C019 C031 1.3900 . ?
C031 H031 0.9300 . ?
C013 C03E 1.3900 . ?
C013 C015 1.3900 . ?
C03E H03E 0.9300 . ?
C03E C032 1.3900 . ?
C032 H032 0.9300 . ?
C032 C04G 1.3900 . ?
C04G H04G 0.9300 . ?
C04G C03G 1.3900 . ?
C03G H03G 0.9300 . ?
C03G C015 1.3900 . ?
C015 H015 0.9300 . ?
C014 C01U 1.3900 . ?
C014 C00Z 1.3900 . ?
C01U C037 1.3900 . ?
C037 H037 0.9300 . ?
C037 C03Q 1.3900 . ?
C03Q H03Q 0.9300 . ?
C03Q C043 1.3900 . ?
C043 H043 0.9300 . ?
C043 C00Z 1.3900 . ?
C00Z H00Z 0.9300 . ?
C01J C010 1.3900 . ?
C01J C02T 1.3900 . ?
C010 H010 0.9300 . ?
C010 C03X 1.3900 . ?
C03X H03X 0.9300 . ?
C03X C04J 1.3900 . ?
C04J C03B 1.3900 . ?
C03B H03B 0.9300 . ?
C03B C02T 1.3900 . ?
C02T H02T 0.9300 . ?
C01O C00X 1.3900 . ?
C01O C028 1.3900 . ?
C00X C01H 1.3900 . ?
C01H H01H 0.9300 . ?
C01H C04D 1.3900 . ?
C04D H04D 0.9300 . ?
C04D C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C028 1.3900 . ?
C028 H028 0.9300 . ?
C01R H01R 0.9300 . ?
C01R C02L 1.3900 . ?
C01R C029 1.3900 . ?
C02L H02L 0.9300 . ?
C02L C02Y 1.3900 . ?
C02Y H02Y 0.9300 . ?
C02Y C01T 1.3900 . ?
C01T C02H 1.3900 . ?
C02H H02H 0.9300 . ?
C02H C029 1.3900 . ?
C029 H029 0.9300 . ?
C01S C02C 1.3900 . ?
C01S C018 1.3900 . ?
C02C H02C 0.9300 . ?
C02C C01Y 1.3900 . ?
C01Y H01Y 0.9300 . ?
C01Y C021 1.3900 . ?
C021 H021 0.9300 . ?
C021 C012 1.3900 . ?
C012 H012 0.9300 . ?
C012 C018 1.3900 . ?
C018 H018 0.9300 . ?
C01V C01A 1.3900 . ?
C01V C03F 1.3900 . ?
C01A H01A 0.9300 . ?
C01A C045 1.3900 . ?
C045 H045 0.9300 . ?
C045 C03N 1.3900 . ?
C03N H03N 0.9300 . ?
C03N C044 1.3900 . ?
C044 H044 0.9300 . ?
C044 C03F 1.3900 . ?
C03F H03F 0.9300 . ?
C024 C02A 1.3900 . ?
C024 C025 1.3900 . ?
C02A H02A 0.9300 . ?
C02A C040 1.3900 . ?
C040 H040 0.9300 . ?
C040 C02Q 1.3900 . ?
C02Q H02Q 0.9300 . ?
C02Q C01P 1.3900 . ?
C01P H01P 0.9300 . ?
C01P C025 1.3900 . ?
C025 H025 0.9300 . ?
C02B C02M 1.3900 . ?
C02B C03T 1.3900 . ?
C02M H02M 0.9300 . ?
C02M C03H 1.3900 . ?
C03H H03H 0.9300 . ?
C03H C051 1.3900 . ?
C051 H051 0.9300 . ?
C051 C04P 1.3900 . ?
C04P H04P 0.9300 . ?
C04P C03T 1.3900 . ?
C03T H03T 0.9300 . ?
C02E H02E 0.9300 . ?
C02E C01C 1.3900 . ?
C02E C022 1.3900 . ?
C01C C01B 1.3900 . ?
C01B H01B 0.9300 . ?
C01B C01F 1.3900 . ?
C01F H01F 0.9300 . ?
C01F C027 1.3900 . ?
C027 C022 1.3900 . ?
C027 C047 1.50(2) . ?
C022 H022 0.9300 . ?
C02G H02G 0.9300 . ?
C02G C017 1.3900 . ?
C02G C04H 1.3900 . ?
C017 C01K 1.3900 . ?
C01K H01K 0.9300 . ?
C01K C03L 1.3900 . ?
C03L H03L 0.9300 . ?
C03L C02V 1.3900 . ?
C02V H02V 0.9300 . ?
C02V C04H 1.3900 . ?
C04H H04H 0.9300 . ?
C02I H02I 0.9300 . ?
C02I C01N 1.3900 . ?
C02I C03R 1.3900 . ?
C01N H01N 0.9300 . ?
C01N C030 1.3900 . ?
C030 C01M 1.3900 . ?
C030 C02U 1.52(2) . ?
C01M H01M 0.9300 . ?
C01M C01G 1.3900 . ?
C01G H01G 0.9300 . ?
C01G C03R 1.3900 . ?
C02N C02D 1.3900 . ?
C02N C02K 1.3900 . ?
C02D H02D 0.9300 . ?
C02D C03I 1.3900 . ?
C03I H03I 0.9300 . ?
C03I C01D 1.3900 . ?
C01D H01D 0.9300 . ?
C01D C01Z 1.3900 . ?
C01Z H01Z 0.9300 . ?
C01Z C02K 1.3900 . ?
C02U H02B 0.9600 . ?
C02U H02F 0.9600 . ?
C02U H02J 0.9600 . ?
C02W C03V 1.3900 . ?
C02W C03J 1.3900 . ?
C03V H03V 0.9300 . ?
C03V C03M 1.3900 . ?
C03M H03M 0.9300 . ?
C03M C01L 1.3900 . ?
C01L C03Z 1.3900 . ?
C01L C035 1.50(2) . ?
C03Z H03Z 0.9300 . ?
C03Z C03J 1.3900 . ?
C03J H03J 0.9300 . ?
C02Z C048 1.3900 . ?
C02Z C01W 1.3900 . ?
C048 H048 0.9300 . ?
C048 C02J 1.3900 . ?
C02J H02K 0.9300 . ?
C02J C033 1.3900 . ?
C033 H033 0.9300 . ?
C033 C016 1.3900 . ?
C016 H016 0.9300 . ?
C016 C01W 1.3900 . ?
C035 H03A 0.9600 . ?
C035 H03C 0.9600 . ?
C035 H03K 0.9600 . ?
F03C C50 1.36(3) . ?
C03O C32 1.3900 . ?
C03O C03W 1.3900 . ?
C32 H32 0.9300 . ?
C32 C046 1.3900 . ?
C046 H046 0.9300 . ?
C046 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C03W 1.3900 . ?
C03S H03S 0.9300 . ?
C03S C039 1.3900 . ?
C03S C01Q 1.3900 . ?
C039 H039 0.9300 . ?
C039 C02O 1.3900 . ?
C02O H02O 0.9300 . ?
C02O C03Y 1.3900 . ?
C03Y H03Y 0.9300 . ?
C03Y C038 1.3900 . ?
C038 H038 0.9300 . ?
C038 C01Q 1.3900 . ?
C042 C03A 1.3900 . ?
C042 C04I 1.3900 . ?
C03A H03O 0.9300 . ?
C03A C02R 1.3900 . ?
C02R H02R 0.9300 . ?
C02R C00V 1.3900 . ?
C00V C03K 1.3900 . ?
C03K H03R 0.9300 . ?
C03K C04I 1.3900 . ?
C04I H04I 0.9300 . ?
C047 H04A 0.9600 . ?
C047 H04B 0.9600 . ?
C047 H04C 0.9600 . ?
C5 H5 0.9300 . ?
C5 C24 1.3900 . ?
C5 C40 1.3900 . ?
C24 H24 0.9300 . ?
C24 C26 1.3900 . ?
C26 C39 1.3900 . ?
C39 H39 0.9300 . ?
C39 C87 1.3900 . ?
C87 H87 0.9300 . ?
C87 C40 1.3900 . ?
C40 H40 0.9300 . ?
C36 H36 0.9300 . ?
C36 C041 1.3900 . ?
C36 C023 1.3900 . ?
C041 H041 0.9300 . ?
C041 C45 1.3900 . ?
C45 C60 1.3900 . ?
C45 C81 1.57(3) . ?
C60 H60 0.9300 . ?
C60 C034 1.3900 . ?
C034 H034 0.9300 . ?
C034 C023 1.3900 . ?
F44 C82 1.38(3) . ?
C54 C02F 1.3900 . ?
C54 C139 1.3900 . ?
C02F H02N 0.9300 . ?
C02F C04C 1.3900 . ?
C04C H04E 0.9300 . ?
C04C C138 1.3900 . ?
C138 H138 0.9300 . ?
C138 C99 1.3900 . ?
C99 H99 0.9300 . ?
C99 C139 1.3900 . ?
C139 H139 0.9300 . ?
C61 C41 1.3900 . ?
C61 C62 1.3900 . ?
C61 B100 1.75(4) . ?
C41 H41 0.9300 . ?
C41 C04R 1.3900 . ?
C04R H04R 0.9300 . ?
C04R C50 1.3900 . ?
C50 C03U 1.3900 . ?
C03U H03U 0.9300 . ?
C03U C62 1.3900 . ?
C62 H62 0.9300 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
B100 C04K 1.62(4) . ?
B100 C37 1.65(4) . ?
B100 C1 1.70(4) . ?
C101 H101 0.9300 . ?
C101 C95 1.3900 . ?
C101 C04K 1.3900 . ?
C95 H95 0.9300 . ?
C95 C82 1.3900 . ?
C82 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C04K 1.3900 . ?
F28 C4 1.36(3) . ?
F30 C56 1.39(3) . ?
C56 C38 1.3900 . ?
C56 C155 1.3900 . ?
C38 H38 0.9300 . ?
C38 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C37 1.3900 . ?
C37 C2 1.3900 . ?
C2 H2 0.9300 . ?
C2 C155 1.3900 . ?
C155 H155 0.9300 . ?
C44 H44 0.9300 . ?
C44 C02S 1.3900 . ?
C44 C49 1.3900 . ?
C02S C036 1.3900 . ?
C036 H036 0.9300 . ?
C036 C02P 1.3900 . ?
C02P H02P 0.9300 . ?
C02P C04F 1.3900 . ?
C04F H04F 0.9300 . ?
C04F C49 1.3900 . ?
C49 H49 0.9300 . ?
C4 C179 1.3900 . ?
C4 C51 1.3900 . ?
C179 H179 0.9300 . ?
C179 C48 1.3900 . ?
C48 H48 0.9300 . ?
C48 C1 1.3900 . ?
C1 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C51 1.3900 . ?
C51 H51 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au01 Au03 62.88(3) . . ?
Au02 Au01 Au05 117.00(4) . . ?
Au02 Au01 Au06 61.98(3) . . ?
Au02 Au01 Au07 62.85(3) . . ?
Au02 Au01 Au08 64.14(3) . . ?
Au02 Au01 Au09 115.89(4) . . ?
Au02 Au01 Au0B 116.34(4) . . ?
Au02 Au01 Au0E 179.25(4) . . ?
Au03 Au01 Au05 65.01(3) . . ?
Au03 Au01 Au06 61.53(3) . . ?
Au03 Au01 Au07 115.22(4) . . ?
Au03 Au01 Au08 118.15(4) . . ?
Au03 Au01 Au0B 63.34(3) . . ?
Au03 Au01 Au0E 117.87(4) . . ?
Au04 Au01 Au02 65.24(3) . . ?
Au04 Au01 Au03 62.95(3) . . ?
Au04 Au01 Au05 61.01(3) . . ?
Au04 Au01 Au06 115.46(4) . . ?
Au04 Au01 Au07 118.53(4) . . ?
Au04 Au01 Au08 67.58(3) . . ?
Au04 Au01 Au09 63.17(3) . . ?
Au04 Au01 Au0A 118.67(3) . . ?
Au04 Au01 Au0B 114.42(4) . . ?
Au04 Au01 Au0D 175.85(4) . . ?
Au04 Au01 Au0E 115.08(4) . . ?
Au05 Au01 Au06 117.11(4) . . ?
Au05 Au01 Au07 179.39(4) . . ?
Au05 Au01 Au08 117.67(3) . . ?
Au06 Au01 Au08 115.25(4) . . ?
Au07 Au01 Au06 63.40(3) . . ?
Au07 Au01 Au08 61.72(3) . . ?
Au09 Au01 Au03 118.24(4) . . ?
Au09 Au01 Au05 63.98(3) . . ?
Au09 Au01 Au06 177.83(4) . . ?
Au09 Au01 Au07 115.50(4) . . ?
Au09 Au01 Au08 62.79(3) . . ?
Au09 Au01 Au0B 117.98(4) . . ?
Au09 Au01 Au0E 63.93(3) . . ?
Au0A Au01 Au02 115.72(4) . . ?
Au0A Au01 Au03 177.51(4) . . ?
Au0A Au01 Au05 117.33(4) . . ?
Au0A Au01 Au06 116.06(4) . . ?
Au0A Au01 Au07 62.44(3) . . ?
Au0A Au01 Au08 61.88(3) . . ?
Au0A Au01 Au09 64.15(3) . . ?
Au0A Au01 Au0B 116.56(4) . . ?
Au0A Au01 Au0E 63.52(3) . . ?
Au0B Au01 Au05 64.02(3) . . ?
Au0B Au01 Au06 64.01(3) . . ?
Au0B Au01 Au07 116.58(3) . . ?
Au0B Au01 Au08 178.00(4) . . ?
Au0B Au01 Au0E 64.23(3) . . ?
Au0D Au01 Au02 118.25(4) . . ?
Au0D Au01 Au03 116.05(3) . . ?
Au0D Au01 Au05 114.85(4) . . ?
Au0D Au01 Au06 66.03(3) . . ?
Au0D Au01 Au07 65.61(3) . . ?
Au0D Au01 Au08 115.64(4) . . ?
Au0D Au01 Au09 115.46(4) . . ?
Au0D Au01 Au0A 62.49(3) . . ?
Au0D Au01 Au0B 62.37(3) . . ?
Au0D Au01 Au0E 61.46(3) . . ?
Au0E Au01 Au05 63.64(3) . . ?
Au0E Au01 Au06 118.20(4) . . ?
Au0E Au01 Au07 116.50(4) . . ?
Au0E Au01 Au08 115.28(4) . . ?
Au01 Au02 Au03 58.64(3) . . ?
Au01 Au02 Au04 57.11(3) . . ?
Au01 Au02 Au06 59.39(3) . . ?
Au01 Au02 Au07 58.83(3) . . ?
Au01 Au02 Au08 58.33(3) . . ?
Au03 Au02 Au04 58.89(3) . . ?
Au03 Au02 Au07 108.40(4) . . ?
Au03 Au02 Au08 109.59(4) . . ?
Au06 Au02 Au03 59.30(3) . . ?
Au06 Au02 Au04 106.77(4) . . ?
Au06 Au02 Au07 61.16(3) . . ?
Au06 Au02 Au08 108.36(4) . . ?
Au07 Au02 Au04 108.28(4) . . ?
Au07 Au02 Au08 58.56(3) . . ?
Au08 Au02 Au04 62.68(3) . . ?
P00M Au02 Au01 179.04(13) . . ?
P00M Au02 Au03 122.04(14) . . ?
P00M Au02 Au04 123.76(12) . . ?
P00M Au02 Au06 120.19(12) . . ?
P00M Au02 Au07 120.21(13) . . ?
P00M Au02 Au08 121.47(13) . . ?
Au01 Au03 Au02 58.49(3) . . ?
Au01 Au03 Au04 58.17(3) . . ?
Au01 Au03 Au05 57.64(3) . . ?
Au01 Au03 Au06 59.54(3) . . ?
Au01 Au03 Au0B 58.36(3) . . ?
Au02 Au03 Au05 107.30(3) . . ?
Au02 Au03 Au0B 108.51(4) . . ?
Au04 Au03 Au02 62.03(3) . . ?
Au04 Au03 Au05 57.15(3) . . ?
Au04 Au03 Au0B 106.53(4) . . ?
Au06 Au03 Au02 59.86(3) . . ?
Au06 Au03 Au04 109.73(3) . . ?
Au06 Au03 Au05 109.22(4) . . ?
Au06 Au03 Au0B 61.62(3) . . ?
Au0B Au03 Au05 59.91(3) . . ?
P00H Au03 Au01 179.01(14) . . ?
P00H Au03 Au02 120.84(15) . . ?
P00H Au03 Au04 120.95(12) . . ?
P00H Au03 Au05 122.45(13) . . ?
P00H Au03 Au06 120.93(12) . . ?
P00H Au03 Au0B 122.60(14) . . ?
Au01 Au04 Au02 57.65(3) . . ?
Au01 Au04 Au03 58.89(3) . . ?
Au01 Au04 Au05 60.03(3) . . ?
Au01 Au04 Au08 56.84(3) . . ?
Au01 Au04 Au09 58.73(3) . . ?
Au01 Au04 Au0C 113.82(4) . . ?
Au02 Au04 Au08 58.29(3) . . ?
Au03 Au04 Au02 59.08(3) . . ?
Au03 Au04 Au08 106.21(3) . . ?
Au03 Au04 Au09 110.88(4) . . ?
Au03 Au04 Au0C 138.43(4) . . ?
Au05 Au04 Au02 109.76(3) . . ?
Au05 Au04 Au03 63.23(3) . . ?
Au05 Au04 Au08 108.00(4) . . ?
Au05 Au04 Au09 62.10(3) . . ?
Au05 Au04 Au0C 153.92(4) . . ?
Au09 Au04 Au02 106.25(3) . . ?
Au09 Au04 Au08 57.91(3) . . ?
Au0C Au04 Au02 82.04(3) . . ?
Au0C Au04 Au08 57.50(3) . . ?
Au0C Au04 Au09 92.60(3) . . ?
S00I Au04 Au01 164.02(13) . . ?
S00I Au04 Au02 111.65(13) . . ?
S00I Au04 Au03 128.46(13) . . ?
S00I Au04 Au05 135.09(13) . . ?
S00I Au04 Au08 107.98(13) . . ?
S00I Au04 Au09 119.75(12) . . ?
S00I Au04 Au0C 50.57(12) . . ?
Au01 Au05 Au03 57.35(3) . . ?
Au01 Au05 Au04 58.96(3) . . ?
Au01 Au05 Au09 57.82(3) . . ?
Au01 Au05 Au0B 57.87(3) . . ?
Au01 Au05 Au0E 58.12(3) . . ?
Au04 Au05 Au03 59.62(3) . . ?
Au04 Au05 Au09 60.34(3) . . ?
Au04 Au05 Au0B 107.65(4) . . ?
Au04 Au05 Au0E 108.72(4) . . ?
Au09 Au05 Au03 106.78(4) . . ?
Au09 Au05 Au0B 107.67(3) . . ?
Au0B Au05 Au03 58.82(3) . . ?
Au0E Au05 Au03 106.96(3) . . ?
Au0E Au05 Au09 60.02(3) . . ?
Au0E Au05 Au0B 60.30(3) . . ?
P00K Au05 Au01 177.89(15) . . ?
P00K Au05 Au03 120.61(14) . . ?
P00K Au05 Au04 119.88(14) . . ?
P00K Au05 Au09 123.51(13) . . ?
P00K Au05 Au0B 121.93(13) . . ?
P00K Au05 Au0E 123.83(15) . . ?
Au01 Au06 Au02 58.63(3) . . ?
Au01 Au06 Au03 58.93(3) . . ?
Au01 Au06 Au07 58.19(3) . . ?
Au01 Au06 Au0B 57.73(3) . . ?
Au01 Au06 Au0D 56.41(3) . . ?
Au01 Au06 Au0F 115.19(4) . . ?
Au02 Au06 Au07 59.97(3) . . ?
Au02 Au06 Au0B 108.24(3) . . ?
Au02 Au06 Au0D 107.32(3) . . ?
Au02 Au06 Au0F 141.96(4) . . ?
Au03 Au06 Au02 60.84(3) . . ?
Au03 Au06 Au07 108.67(3) . . ?
Au03 Au06 Au0B 60.30(3) . . ?
Au03 Au06 Au0D 106.05(4) . . ?
Au03 Au06 Au0F 153.23(5) . . ?
Au07 Au06 Au0B 107.10(4) . . ?
Au07 Au06 Au0D 60.54(3) . . ?
Au0B Au06 Au0D 57.29(3) . . ?
Au0F Au06 Au07 84.40(3) . . ?
Au0F Au06 Au0B 93.88(4) . . ?
Au0F Au06 Au0D 59.31(3) . . ?
S00L Au06 Au01 162.68(13) . . ?
S00L Au06 Au02 124.16(15) . . ?
S00L Au06 Au03 138.36(13) . . ?
S00L Au06 Au07 106.91(14) . . ?
S00L Au06 Au0B 126.67(15) . . ?
S00L Au06 Au0D 109.89(14) . . ?
S00L Au06 Au0F 50.67(14) . . ?
Au01 Au07 Au02 58.31(3) . . ?
Au01 Au07 Au06 58.41(3) . . ?
Au01 Au07 Au08 59.29(3) . . ?
Au01 Au07 Au0A 58.44(3) . . ?
Au01 Au07 Au0D 56.73(3) . . ?
Au02 Au07 Au06 58.87(3) . . ?
Au02 Au07 Au0D 107.02(4) . . ?
Au06 Au07 Au0D 61.26(3) . . ?
Au08 Au07 Au02 61.73(3) . . ?
Au08 Au07 Au06 109.06(3) . . ?
Au08 Au07 Au0A 59.75(3) . . ?
Au08 Au07 Au0D 106.44(4) . . ?
Au0A Au07 Au02 108.54(3) . . ?
Au0A Au07 Au06 108.53(4) . . ?
Au0A Au07 Au0D 58.26(3) . . ?
P00J Au07 Au01 177.61(13) . . ?
P00J Au07 Au02 122.64(15) . . ?
P00J Au07 Au06 119.84(13) . . ?
P00J Au07 Au08 123.08(13) . . ?
P00J Au07 Au0A 121.98(15) . . ?
P00J Au07 Au0D 121.20(14) . . ?
Au01 Au08 Au02 57.53(3) . . ?
Au01 Au08 Au04 55.58(3) . . ?
Au01 Au08 Au07 58.99(3) . . ?
Au01 Au08 Au09 58.23(3) . . ?
Au01 Au08 Au0A 58.57(3) . . ?
Au01 Au08 Au0C 112.89(4) . . ?
Au02 Au08 Au04 59.02(3) . . ?
Au07 Au08 Au02 59.71(3) . . ?
Au07 Au08 Au04 106.29(3) . . ?
Au07 Au08 Au09 109.31(4) . . ?
Au07 Au08 Au0C 140.14(4) . . ?
Au09 Au08 Au02 106.71(3) . . ?
Au09 Au08 Au04 57.73(3) . . ?
Au0A Au08 Au02 107.47(3) . . ?
Au0A Au08 Au04 105.93(4) . . ?
Au0A Au08 Au07 60.40(3) . . ?
Au0A Au08 Au09 61.40(3) . . ?
Au0A Au08 Au0C 153.78(4) . . ?
Au0C Au08 Au02 82.62(3) . . ?
Au0C Au08 Au04 57.83(3) . . ?
Au0C Au08 Au09 92.69(3) . . ?
S00G Au08 Au01 161.55(13) . . ?
S00G Au08 Au02 107.62(13) . . ?
S00G Au08 Au04 108.49(12) . . ?
S00G Au08 Au07 125.87(11) . . ?
S00G Au08 Au09 124.14(11) . . ?
S00G Au08 Au0A 139.85(13) . . ?
S00G Au08 Au0C 50.69(12) . . ?
Au01 Au09 Au04 58.10(3) . . ?
Au01 Au09 Au05 58.20(3) . . ?
Au01 Au09 Au08 58.98(3) . . ?
Au01 Au09 Au0A 57.83(3) . . ?
Au01 Au09 Au0E 58.17(3) . . ?
Au04 Au09 Au05 57.56(3) . . ?
Au04 Au09 Au08 64.36(3) . . ?
Au04 Au09 Au0A 108.91(4) . . ?
Au04 Au09 Au0E 106.33(3) . . ?
Au08 Au09 Au05 109.55(4) . . ?
Au08 Au09 Au0A 58.61(3) . . ?
Au08 Au09 Au0E 107.49(3) . . ?
Au0A Au09 Au05 107.35(3) . . ?
Au0E Au09 Au05 59.83(3) . . ?
Au0E Au09 Au0A 59.54(3) . . ?
C00V Au09 Au01 174.4(5) . . ?
C00V Au09 Au04 123.3(4) . . ?
C00V Au09 Au05 127.4(5) . . ?
C00V Au09 Au08 116.1(5) . . ?
C00V Au09 Au0A 117.9(4) . . ?
C00V Au09 Au0E 123.8(5) . . ?
Au01 Au0A Au07 59.11(3) . . ?
Au01 Au0A Au08 59.55(3) . . ?
Au01 Au0A Au09 58.03(3) . . ?
Au01 Au0A Au0D 58.59(3) . . ?
Au01 Au0A Au0E 58.47(3) . . ?
Au07 Au0A Au09 107.76(4) . . ?
Au07 Au0A Au0E 109.45(4) . . ?
Au08 Au0A Au07 59.86(3) . . ?
Au08 Au0A Au09 59.98(3) . . ?
Au08 Au0A Au0D 110.33(4) . . ?
Au08 Au0A Au0E 109.14(4) . . ?
Au0D Au0A Au07 63.06(3) . . ?
Au0D Au0A Au09 107.25(4) . . ?
Au0D Au0A Au0E 58.56(3) . . ?
Au0E Au0A Au09 60.20(3) . . ?
P00O Au0A Au01 177.79(17) . . ?
P00O Au0A Au07 118.92(16) . . ?
P00O Au0A Au08 118.85(16) . . ?
P00O Au0A Au09 122.90(13) . . ?
P00O Au0A Au0D 121.86(13) . . ?
P00O Au0A Au0E 123.72(17) . . ?
Au01 Au0B Au03 58.30(3) . . ?
Au01 Au0B Au05 58.10(3) . . ?
Au01 Au0B Au06 58.25(3) . . ?
Au01 Au0B Au0D 58.47(3) . . ?
Au01 Au0B Au0E 57.94(3) . . ?
Au03 Au0B Au05 61.27(3) . . ?
Au03 Au0B Au06 58.08(3) . . ?
Au03 Au0B Au0E 108.34(3) . . ?
Au05 Au0B Au06 107.49(4) . . ?
Au05 Au0B Au0E 59.61(3) . . ?
Au06 Au0B Au0E 108.12(4) . . ?
Au0D Au0B Au03 108.54(4) . . ?
Au0D Au0B Au05 106.86(3) . . ?
Au0D Au0B Au06 62.62(3) . . ?
Au0D Au0B Au0E 58.16(3) . . ?
C01J Au0B Au01 171.6(5) . . ?
C01J Au0B Au03 113.7(4) . . ?
C01J Au0B Au05 121.8(4) . . ?
C01J Au0B Au06 116.2(5) . . ?
C01J Au0B Au0D 126.3(4) . . ?
C01J Au0B Au0E 130.1(5) . . ?
Au08 Au0C Au04 64.68(3) . . ?
S00G Au0C Au04 119.53(13) . . ?
S00G Au0C Au08 54.88(13) . . ?
S00I Au0C Au04 53.62(13) . . ?
S00I Au0C Au08 118.18(13) . . ?
S00I Au0C S00G 172.94(19) . . ?
Au01 Au0D Au06 57.55(3) . . ?
Au01 Au0D Au07 57.66(3) . . ?
Au01 Au0D Au0A 58.91(3) . . ?
Au01 Au0D Au0B 59.16(3) . . ?
Au01 Au0D Au0E 59.68(3) . . ?
Au01 Au0D Au0F 115.26(4) . . ?
Au07 Au0D Au06 58.20(3) . . ?
Au0A Au0D Au06 106.37(4) . . ?
Au0A Au0D Au07 58.68(3) . . ?
Au0A Au0D Au0B 110.73(3) . . ?
Au0A Au0D Au0F 137.98(5) . . ?
Au0B Au0D Au06 60.09(3) . . ?
Au0B Au0D Au07 107.47(4) . . ?
Au0B Au0D Au0F 95.02(4) . . ?
Au0E Au0D Au06 109.51(4) . . ?
Au0E Au0D Au07 108.44(3) . . ?
Au0E Au0D Au0A 61.68(3) . . ?
Au0E Au0D Au0B 62.49(3) . . ?
Au0E Au0D Au0F 156.82(4) . . ?
Au0F Au0D Au06 58.24(3) . . ?
Au0F Au0D Au07 82.58(4) . . ?
S00N Au0D Au01 165.03(16) . . ?
S00N Au0D Au06 108.09(15) . . ?
S00N Au0D Au07 112.63(16) . . ?
S00N Au0D Au0A 128.29(14) . . ?
S00N Au0D Au0B 119.58(14) . . ?
S00N Au0D Au0E 134.57(16) . . ?
S00N Au0D Au0F 50.00(15) . . ?
Au01 Au0E Au05 58.24(3) . . ?
Au01 Au0E Au09 57.90(3) . . ?
Au01 Au0E Au0A 58.00(3) . . ?
Au01 Au0E Au0B 57.83(3) . . ?
Au01 Au0E Au0D 58.86(3) . . ?
Au05 Au0E Au09 60.15(3) . . ?
Au05 Au0E Au0B 60.08(3) . . ?
Au09 Au0E Au0B 107.60(4) . . ?
Au0A Au0E Au05 108.17(4) . . ?
Au0A Au0E Au09 60.26(3) . . ?
Au0A Au0E Au0B 106.78(4) . . ?
Au0D Au0E Au05 108.21(4) . . ?
Au0D Au0E Au09 108.25(4) . . ?
Au0D Au0E Au0A 59.76(3) . . ?
Au0D Au0E Au0B 59.35(3) . . ?
P00P Au0E Au01 177.25(18) . . ?
P00P Au0E Au05 122.23(19) . . ?
P00P Au0E Au09 119.67(18) . . ?
P00P Au0E Au0A 120.00(18) . . ?
P00P Au0E Au0B 124.90(17) . . ?
P00P Au0E Au0D 122.30(19) . . ?
Au06 Au0F Au0D 62.45(3) . . ?
S00L Au0F Au06 54.17(12) . . ?
S00L Au0F Au0D 116.52(12) . . ?
S00N Au0F Au06 115.32(13) . . ?
S00N Au0F Au0D 53.05(13) . . ?
S00N Au0F S00L 169.48(18) . . ?
Au0C S00G Au08 74.43(15) . . ?
C03R S00G Au08 113.9(5) . . ?
C03R S00G Au0C 99.8(5) . . ?
C011 P00H Au03 118.2(5) . . ?
C011 P00H C00X 98.5(6) . . ?
C011 P00H C01S 104.7(7) . . ?
C00X P00H Au03 117.8(5) . . ?
C01S P00H Au03 111.7(5) . . ?
C01S P00H C00X 103.9(6) . . ?
Au0C S00I Au04 75.81(15) . . ?
C02W S00I Au04 110.4(6) . . ?
C02W S00I Au0C 106.8(5) . . ?
C014 P00J Au07 116.7(5) . . ?
C014 P00J C017 104.4(6) . . ?
C014 P00J C02S 100.4(7) . . ?
C017 P00J Au07 113.4(6) . . ?
C02S P00J Au07 116.2(5) . . ?
C02S P00J C017 103.8(7) . . ?
C024 P00K Au05 117.0(5) . . ?
C024 P00K C02N 103.6(7) . . ?
C02N P00K Au05 115.0(5) . . ?
C01Q P00K Au05 113.1(5) . . ?
C01Q P00K C024 104.5(8) . . ?
C01Q P00K C02N 101.9(7) . . ?
Au0F S00L Au06 75.16(16) . . ?
C01C S00L Au06 109.6(5) . . ?
C01C S00L Au0F 98.2(6) . . ?
C01X P00M Au02 115.4(5) . . ?
C013 P00M Au02 116.2(5) . . ?
C013 P00M C01X 100.2(7) . . ?
C013 P00M C01T 103.5(6) . . ?
C01T P00M Au02 113.7(5) . . ?
C01T P00M C01X 106.2(6) . . ?
Au0F S00N Au0D 76.96(17) . . ?
C023 S00N Au0D 109.1(6) . . ?
C023 S00N Au0F 105.6(7) . . ?
C01V P00O Au0A 109.1(6) . . ?
C01V P00O C02B 105.8(7) . . ?
C02B P00O Au0A 119.2(5) . . ?
C01W P00O Au0A 116.6(6) . . ?
C01W P00O C01V 104.3(8) . . ?
C01W P00O C02B 100.4(8) . . ?
C03O P00P Au0E 114.7(7) . . ?
C26 P00P Au0E 115.9(7) . . ?
C26 P00P C03O 103.1(9) . . ?
C54 P00P Au0E 111.8(9) . . ?
C54 P00P C03O 105.7(10) . . ?
C54 P00P C26 104.5(12) . . ?
C00Y O00Q C01U 120.0(13) . . ?
C01O O00R C02K 116.1(12) . . ?
C03W O00S C02Z 120.1(16) . . ?
O00Q C00Y C026 122.9(10) . . ?
O00Q C00Y C01X 116.9(10) . . ?
C026 C00Y C01X 120.0 . . ?
C00Y C026 H026 120.0 . . ?
C00Y C026 C03P 120.0 . . ?
C03P C026 H026 120.0 . . ?
C026 C03P H03P 120.0 . . ?
C03D C03P C026 120.0 . . ?
C03D C03P H03P 120.0 . . ?
C03P C03D H03D 120.0 . . ?
C03P C03D C020 120.0 . . ?
C020 C03D H03D 120.0 . . ?
C03D C020 H020 120.0 . . ?
C01X C020 C03D 120.0 . . ?
C01X C020 H020 120.0 . . ?
C00Y C01X P00M 115.6(7) . . ?
C020 C01X P00M 123.8(7) . . ?
C020 C01X C00Y 120.0 . . ?
C01I C011 P00H 117.4(7) . . ?
C01I C011 C031 120.0 . . ?
C031 C011 P00H 122.1(7) . . ?
C011 C01I H01I 120.0 . . ?
C011 C01I C01E 120.0 . . ?
C01E C01I H01I 120.0 . . ?
C01I C01E H01E 120.0 . . ?
C01I C01E C02X 120.0 . . ?
C02X C01E H01E 120.0 . . ?
C01E C02X H02X 120.0 . . ?
C019 C02X C01E 120.0 . . ?
C019 C02X H02X 120.0 . . ?
C02X C019 H019 120.0 . . ?
C02X C019 C031 120.0 . . ?
C031 C019 H019 120.0 . . ?
C011 C031 H031 120.0 . . ?
C019 C031 C011 120.0 . . ?
C019 C031 H031 120.0 . . ?
C03E C013 P00M 120.2(8) . . ?
C03E C013 C015 120.0 . . ?
C015 C013 P00M 119.5(8) . . ?
C013 C03E H03E 120.0 . . ?
C013 C03E C032 120.0 . . ?
C032 C03E H03E 120.0 . . ?
C03E C032 H032 120.0 . . ?
C03E C032 C04G 120.0 . . ?
C04G C032 H032 120.0 . . ?
C032 C04G H04G 120.0 . . ?
C032 C04G C03G 120.0 . . ?
C03G C04G H04G 120.0 . . ?
C04G C03G H03G 120.0 . . ?
C015 C03G C04G 120.0 . . ?
C015 C03G H03G 120.0 . . ?
C013 C015 H015 120.0 . . ?
C03G C015 C013 120.0 . . ?
C03G C015 H015 120.0 . . ?
C01U C014 P00J 116.7(7) . . ?
C01U C014 C00Z 120.0 . . ?
C00Z C014 P00J 123.2(7) . . ?
O00Q C01U C014 119.6(11) . . ?
O00Q C01U C037 120.4(11) . . ?
C014 C01U C037 120.0 . . ?
C01U C037 H037 120.0 . . ?
C03Q C037 C01U 120.0 . . ?
C03Q C037 H037 120.0 . . ?
C037 C03Q H03Q 120.0 . . ?
C037 C03Q C043 120.0 . . ?
C043 C03Q H03Q 120.0 . . ?
C03Q C043 H043 120.0 . . ?
C00Z C043 C03Q 120.0 . . ?
C00Z C043 H043 120.0 . . ?
C014 C00Z H00Z 120.0 . . ?
C043 C00Z C014 120.0 . . ?
C043 C00Z H00Z 120.0 . . ?
C010 C01J Au0B 118.9(8) . . ?
C010 C01J C02T 120.0 . . ?
C02T C01J Au0B 120.8(8) . . ?
C01J C010 H010 120.0 . . ?
C01J C010 C03X 120.0 . . ?
C03X C010 H010 120.0 . . ?
C010 C03X H03X 120.0 . . ?
C04J C03X C010 120.0 . . ?
C04J C03X H03X 120.0 . . ?
F00W C04J C03X 118.9(13) . . ?
F00W C04J C03B 121.0(12) . . ?
C03X C04J C03B 120.0 . . ?
C04J C03B H03B 120.0 . . ?
C02T C03B C04J 120.0 . . ?
C02T C03B H03B 120.0 . . ?
C01J C02T H02T 120.0 . . ?
C03B C02T C01J 120.0 . . ?
C03B C02T H02T 120.0 . . ?
O00R C01O C00X 118.5(10) . . ?
O00R C01O C028 121.2(11) . . ?
C00X C01O C028 120.0 . . ?
C01O C00X P00H 116.0(7) . . ?
C01H C00X P00H 123.6(7) . . ?
C01H C00X C01O 120.0 . . ?
C00X C01H H01H 120.0 . . ?
C00X C01H C04D 120.0 . . ?
C04D C01H H01H 120.0 . . ?
C01H C04D H04D 120.0 . . ?
C01H C04D C27 120.0 . . ?
C27 C04D H04D 120.0 . . ?
C04D C27 H27 120.0 . . ?
C028 C27 C04D 120.0 . . ?
C028 C27 H27 120.0 . . ?
C01O C028 H028 120.0 . . ?
C27 C028 C01O 120.0 . . ?
C27 C028 H028 120.0 . . ?
C02L C01R H01R 120.0 . . ?
C02L C01R C029 120.0 . . ?
C029 C01R H01R 120.0 . . ?
C01R C02L H02L 120.0 . . ?
C01R C02L C02Y 120.0 . . ?
C02Y C02L H02L 120.0 . . ?
C02L C02Y H02Y 120.0 . . ?
C01T C02Y C02L 120.0 . . ?
C01T C02Y H02Y 120.0 . . ?
C02Y C01T P00M 121.8(7) . . ?
C02Y C01T C02H 120.0 . . ?
C02H C01T P00M 118.2(7) . . ?
C01T C02H H02H 120.0 . . ?
C029 C02H C01T 120.0 . . ?
C029 C02H H02H 120.0 . . ?
C01R C029 H029 120.0 . . ?
C02H C029 C01R 120.0 . . ?
C02H C029 H029 120.0 . . ?
C02C C01S P00H 122.9(7) . . ?
C02C C01S C018 120.0 . . ?
C018 C01S P00H 117.0(7) . . ?
C01S C02C H02C 120.0 . . ?
C01S C02C C01Y 120.0 . . ?
C01Y C02C H02C 120.0 . . ?
C02C C01Y H01Y 120.0 . . ?
C021 C01Y C02C 120.0 . . ?
C021 C01Y H01Y 120.0 . . ?
C01Y C021 H021 120.0 . . ?
C012 C021 C01Y 120.0 . . ?
C012 C021 H021 120.0 . . ?
C021 C012 H012 120.0 . . ?
C021 C012 C018 120.0 . . ?
C018 C012 H012 120.0 . . ?
C01S C018 H018 120.0 . . ?
C012 C018 C01S 120.0 . . ?
C012 C018 H018 120.0 . . ?
C01A C01V P00O 115.7(8) . . ?
C01A C01V C03F 120.0 . . ?
C03F C01V P00O 124.3(8) . . ?
C01V C01A H01A 120.0 . . ?
C01V C01A C045 120.0 . . ?
C045 C01A H01A 120.0 . . ?
C01A C045 H045 120.0 . . ?
C03N C045 C01A 120.0 . . ?
C03N C045 H045 120.0 . . ?
C045 C03N H03N 120.0 . . ?
C045 C03N C044 120.0 . . ?
C044 C03N H03N 120.0 . . ?
C03N C044 H044 120.0 . . ?
C03F C044 C03N 120.0 . . ?
C03F C044 H044 120.0 . . ?
C01V C03F H03F 120.0 . . ?
C044 C03F C01V 120.0 . . ?
C044 C03F H03F 120.0 . . ?
C02A C024 P00K 120.1(8) . . ?
C02A C024 C025 120.0 . . ?
C025 C024 P00K 119.8(8) . . ?
C024 C02A H02A 120.0 . . ?
C024 C02A C040 120.0 . . ?
C040 C02A H02A 120.0 . . ?
C02A C040 H040 120.0 . . ?
C02Q C040 C02A 120.0 . . ?
C02Q C040 H040 120.0 . . ?
C040 C02Q H02Q 120.0 . . ?
C040 C02Q C01P 120.0 . . ?
C01P C02Q H02Q 120.0 . . ?
C02Q C01P H01P 120.0 . . ?
C02Q C01P C025 120.0 . . ?
C025 C01P H01P 120.0 . . ?
C024 C025 H025 120.0 . . ?
C01P C025 C024 120.0 . . ?
C01P C025 H025 120.0 . . ?
C02M C02B P00O 117.5(8) . . ?
C02M C02B C03T 120.0 . . ?
C03T C02B P00O 122.3(8) . . ?
C02B C02M H02M 120.0 . . ?
C03H C02M C02B 120.0 . . ?
C03H C02M H02M 120.0 . . ?
C02M C03H H03H 120.0 . . ?
C051 C03H C02M 120.0 . . ?
C051 C03H H03H 120.0 . . ?
C03H C051 H051 120.0 . . ?
C04P C051 C03H 120.0 . . ?
C04P C051 H051 120.0 . . ?
C051 C04P H04P 120.0 . . ?
C03T C04P C051 120.0 . . ?
C03T C04P H04P 120.0 . . ?
C02B C03T H03T 120.0 . . ?
C04P C03T C02B 120.0 . . ?
C04P C03T H03T 120.0 . . ?
C01C C02E H02E 120.0 . . ?
C01C C02E C022 120.0 . . ?
C022 C02E H02E 120.0 . . ?
C02E C01C S00L 122.6(8) . . ?
C02E C01C C01B 120.0 . . ?
C01B C01C S00L 117.2(8) . . ?
C01C C01B H01B 120.0 . . ?
C01C C01B C01F 120.0 . . ?
C01F C01B H01B 120.0 . . ?
C01B C01F H01F 120.0 . . ?
C027 C01F C01B 120.0 . . ?
C027 C01F H01F 120.0 . . ?
C01F C027 C022 120.0 . . ?
C01F C027 C047 121.0(14) . . ?
C022 C027 C047 119.0(14) . . ?
C02E C022 H022 120.0 . . ?
C027 C022 C02E 120.0 . . ?
C027 C022 H022 120.0 . . ?
C017 C02G H02G 120.0 . . ?
C017 C02G C04H 120.0 . . ?
C04H C02G H02G 120.0 . . ?
C02G C017 P00J 124.1(8) . . ?
C01K C017 P00J 115.7(8) . . ?
C01K C017 C02G 120.0 . . ?
C017 C01K H01K 120.0 . . ?
C03L C01K C017 120.0 . . ?
C03L C01K H01K 120.0 . . ?
C01K C03L H03L 120.0 . . ?
C02V C03L C01K 120.0 . . ?
C02V C03L H03L 120.0 . . ?
C03L C02V H02V 120.0 . . ?
C03L C02V C04H 120.0 . . ?
C04H C02V H02V 120.0 . . ?
C02G C04H H04H 120.0 . . ?
C02V C04H C02G 120.0 . . ?
C02V C04H H04H 120.0 . . ?
C01N C02I H02I 120.0 . . ?
C01N C02I C03R 120.0 . . ?
C03R C02I H02I 120.0 . . ?
C02I C01N H01N 120.0 . . ?
C030 C01N C02I 120.0 . . ?
C030 C01N H01N 120.0 . . ?
C01N C030 C02U 120.7(13) . . ?
C01M C030 C01N 120.0 . . ?
C01M C030 C02U 119.3(13) . . ?
C030 C01M H01M 120.0 . . ?
C030 C01M C01G 120.0 . . ?
C01G C01M H01M 120.0 . . ?
C01M C01G H01G 120.0 . . ?
C01M C01G C03R 120.0 . . ?
C03R C01G H01G 120.0 . . ?
C02I C03R S00G 122.5(7) . . ?
C01G C03R S00G 117.2(7) . . ?
C01G C03R C02I 120.0 . . ?
C02D C02N P00K 122.9(8) . . ?
C02D C02N C02K 120.0 . . ?
C02K C02N P00K 117.0(8) . . ?
C02N C02D H02D 120.0 . . ?
C03I C02D C02N 120.0 . . ?
C03I C02D H02D 120.0 . . ?
C02D C03I H03I 120.0 . . ?
C01D C03I C02D 120.0 . . ?
C01D C03I H03I 120.0 . . ?
C03I C01D H01D 120.0 . . ?
C03I C01D C01Z 120.0 . . ?
C01Z C01D H01D 120.0 . . ?
C01D C01Z H01Z 120.0 . . ?
C02K C01Z C01D 120.0 . . ?
C02K C01Z H01Z 120.0 . . ?
O00R C02K C02N 116.0(11) . . ?
O00R C02K C01Z 124.0(11) . . ?
C01Z C02K C02N 120.0 . . ?
C030 C02U H02B 109.5 . . ?
C030 C02U H02F 109.5 . . ?
C030 C02U H02J 109.5 . . ?
H02B C02U H02F 109.5 . . ?
H02B C02U H02J 109.5 . . ?
H02F C02U H02J 109.5 . . ?
C03V C02W S00I 118.5(8) . . ?
C03V C02W C03J 120.0 . . ?
C03J C02W S00I 121.5(8) . . ?
C02W C03V H03V 120.0 . . ?
C03M C03V C02W 120.0 . . ?
C03M C03V H03V 120.0 . . ?
C03V C03M H03M 120.0 . . ?
C03V C03M C01L 120.0 . . ?
C01L C03M H03M 120.0 . . ?
C03M C01L C035 120.1(14) . . ?
C03Z C01L C03M 120.0 . . ?
C03Z C01L C035 119.9(14) . . ?
C01L C03Z H03Z 120.0 . . ?
C01L C03Z C03J 120.0 . . ?
C03J C03Z H03Z 120.0 . . ?
C02W C03J H03J 120.0 . . ?
C03Z C03J C02W 120.0 . . ?
C03Z C03J H03J 120.0 . . ?
O00S C02Z C048 119.0(13) . . ?
O00S C02Z C01W 121.0(13) . . ?
C048 C02Z C01W 120.0 . . ?
C02Z C048 H048 120.0 . . ?
C02J C048 C02Z 120.0 . . ?
C02J C048 H048 120.0 . . ?
C048 C02J H02K 120.0 . . ?
C033 C02J C048 120.0 . . ?
C033 C02J H02K 120.0 . . ?
C02J C033 H033 120.0 . . ?
C02J C033 C016 120.0 . . ?
C016 C033 H033 120.0 . . ?
C033 C016 H016 120.0 . . ?
C01W C016 C033 120.0 . . ?
C01W C016 H016 120.0 . . ?
C02Z C01W P00O 115.8(10) . . ?
C016 C01W P00O 123.8(10) . . ?
C016 C01W C02Z 120.0 . . ?
C01L C035 H03A 109.5 . . ?
C01L C035 H03C 109.5 . . ?
C01L C035 H03K 109.5 . . ?
H03A C035 H03C 109.5 . . ?
H03A C035 H03K 109.5 . . ?
H03C C035 H03K 109.5 . . ?
C32 C03O P00P 122.3(11) . . ?
C32 C03O C03W 120.0 . . ?
C03W C03O P00P 117.6(11) . . ?
C03O C32 H32 120.0 . . ?
C046 C32 C03O 120.0 . . ?
C046 C32 H32 120.0 . . ?
C32 C046 H046 120.0 . . ?
C42 C046 C32 120.0 . . ?
C42 C046 H046 120.0 . . ?
C046 C42 H42 120.0 . . ?
C33 C42 C046 120.0 . . ?
C33 C42 H42 120.0 . . ?
C42 C33 H33 120.0 . . ?
C42 C33 C03W 120.0 . . ?
C03W C33 H33 120.0 . . ?
O00S C03W C03O 116.9(14) . . ?
O00S C03W C33 122.5(14) . . ?
C33 C03W C03O 120.0 . . ?
C039 C03S H03S 120.0 . . ?
C039 C03S C01Q 120.0 . . ?
C01Q C03S H03S 120.0 . . ?
C03S C039 H039 120.0 . . ?
C02O C039 C03S 120.0 . . ?
C02O C039 H039 120.0 . . ?
C039 C02O H02O 120.0 . . ?
C039 C02O C03Y 120.0 . . ?
C03Y C02O H02O 120.0 . . ?
C02O C03Y H03Y 120.0 . . ?
C02O C03Y C038 120.0 . . ?
C038 C03Y H03Y 120.0 . . ?
C03Y C038 H038 120.0 . . ?
C01Q C038 C03Y 120.0 . . ?
C01Q C038 H038 120.0 . . ?
C03S C01Q P00K 122.9(9) . . ?
C038 C01Q P00K 116.6(9) . . ?
C038 C01Q C03S 120.0 . . ?
F00U C042 C03A 119.5(14) . . ?
F00U C042 C04I 120.4(14) . . ?
C03A C042 C04I 120.0 . . ?
C042 C03A H03O 120.0 . . ?
C042 C03A C02R 120.0 . . ?
C02R C03A H03O 120.0 . . ?
C03A C02R H02R 120.0 . . ?
C00V C02R C03A 120.0 . . ?
C00V C02R H02R 120.0 . . ?
C02R C00V Au09 121.7(8) . . ?
C02R C00V C03K 120.0 . . ?
C03K C00V Au09 118.2(8) . . ?
C00V C03K H03R 120.0 . . ?
C04I C03K C00V 120.0 . . ?
C04I C03K H03R 120.0 . . ?
C042 C04I H04I 120.0 . . ?
C03K C04I C042 120.0 . . ?
C03K C04I H04I 120.0 . . ?
C027 C047 H04A 109.5 . . ?
C027 C047 H04B 109.5 . . ?
C027 C047 H04C 109.5 . . ?
H04A C047 H04B 109.5 . . ?
H04A C047 H04C 109.5 . . ?
H04B C047 H04C 109.5 . . ?
C24 C5 H5 120.0 . . ?
C24 C5 C40 120.0 . . ?
C40 C5 H5 120.0 . . ?
C5 C24 H24 120.0 . . ?
C5 C24 C26 120.0 . . ?
C26 C24 H24 120.0 . . ?
C24 C26 P00P 122.0(11) . . ?
C24 C26 C39 120.0 . . ?
C39 C26 P00P 118.0(11) . . ?
C26 C39 H39 120.0 . . ?
C26 C39 C87 120.0 . . ?
C87 C39 H39 120.0 . . ?
C39 C87 H87 120.0 . . ?
C40 C87 C39 120.0 . . ?
C40 C87 H87 120.0 . . ?
C5 C40 H40 120.0 . . ?
C87 C40 C5 120.0 . . ?
C87 C40 H40 120.0 . . ?
C041 C36 H36 120.0 . . ?
C041 C36 C023 120.0 . . ?
C023 C36 H36 120.0 . . ?
C36 C041 H041 120.0 . . ?
C36 C041 C45 120.0 . . ?
C45 C041 H041 120.0 . . ?
C041 C45 C81 119.4(19) . . ?
C60 C45 C041 120.0 . . ?
C60 C45 C81 120.6(19) . . ?
C45 C60 H60 120.0 . . ?
C034 C60 C45 120.0 . . ?
C034 C60 H60 120.0 . . ?
C60 C034 H034 120.0 . . ?
C60 C034 C023 120.0 . . ?
C023 C034 H034 120.0 . . ?
C36 C023 S00N 121.6(11) . . ?
C034 C023 S00N 118.3(11) . . ?
C034 C023 C36 120.0 . . ?
C02F C54 P00P 116.8(17) . . ?
C02F C54 C139 120.0 . . ?
C139 C54 P00P 123.2(17) . . ?
C54 C02F H02N 120.0 . . ?
C04C C02F C54 120.0 . . ?
C04C C02F H02N 120.0 . . ?
C02F C04C H04E 120.0 . . ?
C138 C04C C02F 120.0 . . ?
C138 C04C H04E 120.0 . . ?
C04C C138 H138 120.0 . . ?
C04C C138 C99 120.0 . . ?
C99 C138 H138 120.0 . . ?
C138 C99 H99 120.0 . . ?
C139 C99 C138 120.0 . . ?
C139 C99 H99 120.0 . . ?
C54 C139 H139 120.0 . . ?
C99 C139 C54 120.0 . . ?
C99 C139 H139 120.0 . . ?
C41 C61 C62 120.0 . . ?
C41 C61 B100 121.7(18) . . ?
C62 C61 B100 118.2(17) . . ?
C61 C41 H41 120.0 . . ?
C61 C41 C04R 120.0 . . ?
C04R C41 H41 120.0 . . ?
C41 C04R H04R 120.0 . . ?
C50 C04R C41 120.0 . . ?
C50 C04R H04R 120.0 . . ?
F03C C50 C04R 117.3(19) . . ?
F03C C50 C03U 122.7(19) . . ?
C04R C50 C03U 120.0 . . ?
C50 C03U H03U 120.0 . . ?
C62 C03U C50 120.0 . . ?
C62 C03U H03U 120.0 . . ?
C61 C62 H62 120.0 . . ?
C03U C62 C61 120.0 . . ?
C03U C62 H62 120.0 . . ?
C45 C81 H81A 109.5 . . ?
C45 C81 H81B 109.5 . . ?
C45 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C04K B100 C61 110(3) . . ?
C04K B100 C37 107(2) . . ?
C04K B100 C1 110(3) . . ?
C37 B100 C61 112(2) . . ?
C37 B100 C1 112(3) . . ?
C1 B100 C61 106(2) . . ?
C95 C101 H101 120.0 . . ?
C95 C101 C04K 120.0 . . ?
C04K C101 H101 120.0 . . ?
C101 C95 H95 120.0 . . ?
C101 C95 C82 120.0 . . ?
C82 C95 H95 120.0 . . ?
F44 C82 C95 128(3) . . ?
F44 C82 C55 112(3) . . ?
C55 C82 C95 120.0 . . ?
C82 C55 H55 120.0 . . ?
C82 C55 C68 120.0 . . ?
C68 C55 H55 120.0 . . ?
C55 C68 H68 120.0 . . ?
C04K C68 C55 120.0 . . ?
C04K C68 H68 120.0 . . ?
C101 C04K B100 125(2) . . ?
C68 C04K B100 115(2) . . ?
C68 C04K C101 120.0 . . ?
C38 C56 F30 121(2) . . ?
C38 C56 C155 120.0 . . ?
C155 C56 F30 119(2) . . ?
C56 C38 H38 120.0 . . ?
C56 C38 C29 120.0 . . ?
C29 C38 H38 120.0 . . ?
C38 C29 H29 120.0 . . ?
C37 C29 C38 120.0 . . ?
C37 C29 H29 120.0 . . ?
C29 C37 B100 121(2) . . ?
C29 C37 C2 120.0 . . ?
C2 C37 B100 118(2) . . ?
C37 C2 H2 120.0 . . ?
C155 C2 C37 120.0 . . ?
C155 C2 H2 120.0 . . ?
C56 C155 H155 120.0 . . ?
C2 C155 C56 120.0 . . ?
C2 C155 H155 120.0 . . ?
C02S C44 H44 120.0 . . ?
C02S C44 C49 120.0 . . ?
C49 C44 H44 120.0 . . ?
C44 C02S P00J 120.9(8) . . ?
C036 C02S P00J 119.1(8) . . ?
C036 C02S C44 120.0 . . ?
C02S C036 H036 120.0 . . ?
C02S C036 C02P 120.0 . . ?
C02P C036 H036 120.0 . . ?
C036 C02P H02P 120.0 . . ?
C036 C02P C04F 120.0 . . ?
C04F C02P H02P 120.0 . . ?
C02P C04F H04F 120.0 . . ?
C02P C04F C49 120.0 . . ?
C49 C04F H04F 120.0 . . ?
C44 C49 H49 120.0 . . ?
C04F C49 C44 120.0 . . ?
C04F C49 H49 120.0 . . ?
F28 C4 C179 111(3) . . ?
F28 C4 C51 129(3) . . ?
C179 C4 C51 120.0 . . ?
C4 C179 H179 120.0 . . ?
C4 C179 C48 120.0 . . ?
C48 C179 H179 120.0 . . ?
C179 C48 H48 120.0 . . ?
C1 C48 C179 120.0 . . ?
C1 C48 H48 120.0 . . ?
C48 C1 B100 125(3) . . ?
C3 C1 B100 115(3) . . ?
C3 C1 C48 120.0 . . ?
C1 C3 H3 120.0 . . ?
C1 C3 C51 120.0 . . ?
C51 C3 H3 120.0 . . ?
C4 C51 H51 120.0 . . ?
C3 C51 C4 120.0 . . ?
C3 C51 H51 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 P00M C01X C00Y -63.9(8) . . . . ?
Au02 P00M C01X C020 124.5(7) . . . . ?
Au02 P00M C013 C03E 170.7(6) . . . . ?
Au02 P00M C013 C015 -2.8(9) . . . . ?
Au02 P00M C01T C02Y 113.2(7) . . . . ?
Au02 P00M C01T C02H -65.0(8) . . . . ?
Au03 P00H C011 C01I 0.6(9) . . . . ?
Au03 P00H C011 C031 173.1(6) . . . . ?
Au03 P00H C00X C01O -56.3(8) . . . . ?
Au03 P00H C00X C01H 130.4(7) . . . . ?
Au03 P00H C01S C02C 118.2(7) . . . . ?
Au03 P00H C01S C018 -63.9(8) . . . . ?
Au04 S00I C02W C03V 76.8(8) . . . . ?
Au04 S00I C02W C03J -104.7(8) . . . . ?
Au05 P00K C024 C02A 160.5(7) . . . . ?
Au05 P00K C024 C025 -15.2(11) . . . . ?
Au05 P00K C02N C02D 122.1(7) . . . . ?
Au05 P00K C02N C02K -55.0(8) . . . . ?
Au05 P00K C01Q C03S 136.1(8) . . . . ?
Au05 P00K C01Q C038 -52.0(9) . . . . ?
Au06 S00L C01C C02E 28.9(9) . . . . ?
Au06 S00L C01C C01B -155.5(6) . . . . ?
Au07 P00J C014 C01U -55.9(8) . . . . ?
Au07 P00J C014 C00Z 126.8(7) . . . . ?
Au07 P00J C017 C02G 115.1(8) . . . . ?
Au07 P00J C017 C01K -59.9(8) . . . . ?
Au07 P00J C02S C44 176.4(7) . . . . ?
Au07 P00J C02S C036 -1.7(10) . . . . ?
Au08 S00G C03R C02I 23.9(9) . . . . ?
Au08 S00G C03R C01G -162.0(6) . . . . ?
Au09 C00V C03K C04I -178.0(12) . . . . ?
Au0A P00O C01V C01A -50.6(8) . . . . ?
Au0A P00O C01V C03F 127.8(8) . . . . ?
Au0A P00O C02B C02M 0.6(11) . . . . ?
Au0A P00O C02B C03T 175.1(7) . . . . ?
Au0A P00O C01W C02Z -58.3(9) . . . . ?
Au0A P00O C01W C016 128.4(8) . . . . ?
Au0B C01J C010 C03X -173.7(11) . . . . ?
Au0B C01J C02T C03B 173.6(12) . . . . ?
Au0C S00G C03R C02I -53.3(8) . . . . ?
Au0C S00G C03R C01G 120.8(7) . . . . ?
Au0C S00I C02W C03V 157.6(7) . . . . ?
Au0C S00I C02W C03J -23.9(10) . . . . ?
Au0D S00N C023 C36 -116.1(9) . . . . ?
Au0D S00N C023 C034 68.1(10) . . . . ?
Au0E P00P C03O C32 119.6(9) . . . . ?
Au0E P00P C03O C03W -64.4(11) . . . . ?
Au0E P00P C26 C24 -17.7(13) . . . . ?
Au0E P00P C26 C39 161.1(8) . . . . ?
Au0E P00P C54 C02F -49.7(14) . . . . ?
Au0E P00P C54 C139 130.6(12) . . . . ?
Au0F S00L C01C C02E -48.2(8) . . . . ?
Au0F S00L C01C C01B 127.5(7) . . . . ?
Au0F S00N C023 C36 -34.8(11) . . . . ?
Au0F S00N C023 C034 149.4(8) . . . . ?
P00H C011 C01I C01E 172.7(10) . . . . ?
P00H C011 C031 C019 -172.3(10) . . . . ?
P00H C00X C01H C04D 173.0(11) . . . . ?
P00H C01S C02C C01Y 177.9(10) . . . . ?
P00H C01S C018 C012 -178.0(10) . . . . ?
S00I C02W C03V C03M 178.5(12) . . . . ?
S00I C02W C03J C03Z -178.4(12) . . . . ?
P00J C014 C01U O00Q 4.2(12) . . . . ?
P00J C014 C01U C037 -177.4(10) . . . . ?
P00J C014 C00Z C043 177.2(11) . . . . ?
P00J C017 C01K C03L 175.2(10) . . . . ?
P00J C02S C036 C02P 178.2(12) . . . . ?
P00K C024 C02A C040 -175.7(12) . . . . ?
P00K C024 C025 C01P 175.7(12) . . . . ?
P00K C02N C02D C03I -177.0(11) . . . . ?
P00K C02N C02K O00R -1.1(12) . . . . ?
P00K C02N C02K C01Z 177.1(10) . . . . ?
S00L C01C C01B C01F -175.8(11) . . . . ?
P00M C013 C03E C032 -173.5(11) . . . . ?
P00M C013 C015 C03G 173.5(10) . . . . ?
P00M C01T C02H C029 178.2(10) . . . . ?
P00O C01V C01A C045 178.4(11) . . . . ?
P00O C01V C03F C044 -178.3(12) . . . . ?
P00O C02B C02M C03H 174.7(12) . . . . ?
P00O C02B C03T C04P -174.4(12) . . . . ?
P00P C03O C32 C046 175.9(14) . . . . ?
P00P C03O C03W O00S 12.8(16) . . . . ?
P00P C03O C03W C33 -176.1(14) . . . . ?
P00P C26 C39 C87 -178.9(14) . . . . ?
P00P C54 C02F C04C -179.7(18) . . . . ?
P00P C54 C139 C99 179.7(19) . . . . ?
O00Q C00Y C026 C03P 175.4(15) . . . . ?
O00Q C00Y C01X P00M 12.4(12) . . . . ?
O00Q C00Y C01X C020 -175.7(14) . . . . ?
O00Q C01U C037 C03Q 178.4(14) . . . . ?
O00R C01O C00X P00H 12.9(13) . . . . ?
O00R C01O C00X C01H -173.5(14) . . . . ?
O00R C01O C028 C27 173.3(15) . . . . ?
O00S C02Z C048 C02J 177.8(16) . . . . ?
O00S C02Z C01W P00O 8.7(14) . . . . ?
O00S C02Z C01W C016 -177.7(16) . . . . ?
F00U C042 C03A C02R 177.6(18) . . . . ?
F00U C042 C04I C03K -177.6(18) . . . . ?
F00W C04J C03B C02T -176.2(18) . . . . ?
C00Y O00Q C01U C014 -118.1(14) . . . . ?
C00Y O00Q C01U C037 63.5(18) . . . . ?
C00Y C026 C03P C03D 0.0 . . . . ?
C026 C00Y C01X P00M -171.9(10) . . . . ?
C026 C00Y C01X C020 0.0 . . . . ?
C026 C03P C03D C020 0.0 . . . . ?
C03P C03D C020 C01X 0.0 . . . . ?
C03D C020 C01X P00M 171.2(11) . . . . ?
C03D C020 C01X C00Y 0.0 . . . . ?
C01X P00M C013 C03E 45.7(9) . . . . ?
C01X P00M C013 C015 -127.9(8) . . . . ?
C01X P00M C01T C02Y -118.8(9) . . . . ?
C01X P00M C01T C02H 63.0(9) . . . . ?
C01X C00Y C026 C03P 0.0 . . . . ?
C011 P00H C00X C01O 72.0(8) . . . . ?
C011 P00H C00X C01H -101.3(9) . . . . ?
C011 P00H C01S C02C -10.9(9) . . . . ?
C011 P00H C01S C018 167.0(7) . . . . ?
C011 C01I C01E C02X 0.0 . . . . ?
C01I C011 C031 C019 0.0 . . . . ?
C01I C01E C02X C019 0.0 . . . . ?
C01E C02X C019 C031 0.0 . . . . ?
C02X C019 C031 C011 0.0 . . . . ?
C031 C011 C01I C01E 0.0 . . . . ?
C013 P00M C01X C00Y 61.6(9) . . . . ?
C013 P00M C01X C020 -109.9(9) . . . . ?
C013 P00M C01T C02Y -13.8(10) . . . . ?
C013 P00M C01T C02H 168.0(8) . . . . ?
C013 C03E C032 C04G 0.0 . . . . ?
C03E C013 C015 C03G 0.0 . . . . ?
C03E C032 C04G C03G 0.0 . . . . ?
C032 C04G C03G C015 0.0 . . . . ?
C04G C03G C015 C013 0.0 . . . . ?
C015 C013 C03E C032 0.0 . . . . ?
C014 P00J C017 C02G -116.8(9) . . . . ?
C014 P00J C017 C01K 68.2(9) . . . . ?
C014 P00J C02S C44 49.5(10) . . . . ?
C014 P00J C02S C036 -128.6(9) . . . . ?
C014 C01U C037 C03Q 0.0 . . . . ?
C01U O00Q C00Y C026 29(2) . . . . ?
C01U O00Q C00Y C01X -155.5(12) . . . . ?
C01U C014 C00Z C043 0.0 . . . . ?
C01U C037 C03Q C043 0.0 . . . . ?
C037 C03Q C043 C00Z 0.0 . . . . ?
C03Q C043 C00Z C014 0.0 . . . . ?
C00Z C014 C01U O00Q -178.4(14) . . . . ?
C00Z C014 C01U C037 0.0 . . . . ?
C01J C010 C03X C04J 0.0 . . . . ?
C010 C01J C02T C03B 0.0 . . . . ?
C010 C03X C04J F00W 176.3(18) . . . . ?
C010 C03X C04J C03B 0.0 . . . . ?
C03X C04J C03B C02T 0.0 . . . . ?
C04J C03B C02T C01J 0.0 . . . . ?
C02T C01J C010 C03X 0.0 . . . . ?
C01O O00R C02K C02N -134.2(13) . . . . ?
C01O O00R C02K C01Z 47.6(18) . . . . ?
C01O C00X C01H C04D 0.0 . . . . ?
C00X P00H C011 C01I -127.4(8) . . . . ?
C00X P00H C011 C031 45.1(9) . . . . ?
C00X P00H C01S C02C -113.8(8) . . . . ?
C00X P00H C01S C018 64.1(9) . . . . ?
C00X C01O C028 C27 0.0 . . . . ?
C00X C01H C04D C27 0.0 . . . . ?
C01H C04D C27 C028 0.0 . . . . ?
C04D C27 C028 C01O 0.0 . . . . ?
C028 C01O C00X P00H -173.6(10) . . . . ?
C028 C01O C00X C01H 0.0 . . . . ?
C01R C02L C02Y C01T 0.0 . . . . ?
C02L C01R C029 C02H 0.0 . . . . ?
C02L C02Y C01T P00M -178.2(11) . . . . ?
C02L C02Y C01T C02H 0.0 . . . . ?
C02Y C01T C02H C029 0.0 . . . . ?
C01T P00M C01X C00Y 169.1(7) . . . . ?
C01T P00M C01X C020 -2.5(10) . . . . ?
C01T P00M C013 C03E -63.9(9) . . . . ?
C01T P00M C013 C015 122.5(8) . . . . ?
C01T C02H C029 C01R 0.0 . . . . ?
C029 C01R C02L C02Y 0.0 . . . . ?
C01S P00H C011 C01I 125.7(8) . . . . ?
C01S P00H C011 C031 -61.8(9) . . . . ?
C01S P00H C00X C01O 179.6(7) . . . . ?
C01S P00H C00X C01H 6.3(10) . . . . ?
C01S C02C C01Y C021 0.0 . . . . ?
C02C C01S C018 C012 0.0 . . . . ?
C02C C01Y C021 C012 0.0 . . . . ?
C01Y C021 C012 C018 0.0 . . . . ?
C021 C012 C018 C01S 0.0 . . . . ?
C018 C01S C02C C01Y 0.0 . . . . ?
C01V P00O C02B C02M 123.8(9) . . . . ?
C01V P00O C02B C03T -61.7(11) . . . . ?
C01V P00O C01W C02Z -178.7(8) . . . . ?
C01V P00O C01W C016 8.0(11) . . . . ?
C01V C01A C045 C03N 0.0 . . . . ?
C01A C01V C03F C044 0.0 . . . . ?
C01A C045 C03N C044 0.0 . . . . ?
C045 C03N C044 C03F 0.0 . . . . ?
C03N C044 C03F C01V 0.0 . . . . ?
C03F C01V C01A C045 0.0 . . . . ?
C024 P00K C02N C02D -109.0(9) . . . . ?
C024 P00K C02N C02K 74.0(9) . . . . ?
C024 P00K C01Q C03S 7.7(11) . . . . ?
C024 P00K C01Q C038 179.7(8) . . . . ?
C024 C02A C040 C02Q 0.0 . . . . ?
C02A C024 C025 C01P 0.0 . . . . ?
C02A C040 C02Q C01P 0.0 . . . . ?
C040 C02Q C01P C025 0.0 . . . . ?
C02Q C01P C025 C024 0.0 . . . . ?
C025 C024 C02A C040 0.0 . . . . ?
C02B P00O C01V C01A -179.9(8) . . . . ?
C02B P00O C01V C03F -1.6(11) . . . . ?
C02B P00O C01W C02Z 71.9(10) . . . . ?
C02B P00O C01W C016 -101.4(10) . . . . ?
C02B C02M C03H C051 0.0 . . . . ?
C02M C02B C03T C04P 0.0 . . . . ?
C02M C03H C051 C04P 0.0 . . . . ?
C03H C051 C04P C03T 0.0 . . . . ?
C051 C04P C03T C02B 0.0 . . . . ?
C03T C02B C02M C03H 0.0 . . . . ?
C02E C01C C01B C01F 0.0 . . . . ?
C01C C02E C022 C027 0.0 . . . . ?
C01C C01B C01F C027 0.0 . . . . ?
C01B C01F C027 C022 0.0 . . . . ?
C01B C01F C027 C047 177.4(17) . . . . ?
C01F C027 C022 C02E 0.0 . . . . ?
C022 C02E C01C S00L 175.6(11) . . . . ?
C022 C02E C01C C01B 0.0 . . . . ?
C02G C017 C01K C03L 0.0 . . . . ?
C017 P00J C014 C01U 178.1(7) . . . . ?
C017 P00J C014 C00Z 0.7(10) . . . . ?
C017 P00J C02S C44 -58.3(10) . . . . ?
C017 P00J C02S C036 123.5(9) . . . . ?
C017 C02G C04H C02V 0.0 . . . . ?
C017 C01K C03L C02V 0.0 . . . . ?
C01K C03L C02V C04H 0.0 . . . . ?
C03L C02V C04H C02G 0.0 . . . . ?
C04H C02G C017 P00J -174.8(11) . . . . ?
C04H C02G C017 C01K 0.0 . . . . ?
C02I C01N C030 C01M 0.0 . . . . ?
C02I C01N C030 C02U -179.8(17) . . . . ?
C01N C02I C03R S00G 173.9(11) . . . . ?
C01N C02I C03R C01G 0.0 . . . . ?
C01N C030 C01M C01G 0.0 . . . . ?
C030 C01M C01G C03R 0.0 . . . . ?
C01M C01G C03R S00G -174.2(10) . . . . ?
C01M C01G C03R C02I 0.0 . . . . ?
C03R C02I C01N C030 0.0 . . . . ?
C02N P00K C024 C02A 32.8(11) . . . . ?
C02N P00K C024 C025 -142.9(9) . . . . ?
C02N P00K C01Q C03S -99.9(10) . . . . ?
C02N P00K C01Q C038 72.0(9) . . . . ?
C02N C02D C03I C01D 0.0 . . . . ?
C02D C02N C02K O00R -178.3(13) . . . . ?
C02D C02N C02K C01Z 0.0 . . . . ?
C02D C03I C01D C01Z 0.0 . . . . ?
C03I C01D C01Z C02K 0.0 . . . . ?
C01D C01Z C02K O00R 178.1(15) . . . . ?
C01D C01Z C02K C02N 0.0 . . . . ?
C02K O00R C01O C00X -134.9(12) . . . . ?
C02K O00R C01O C028 51.6(18) . . . . ?
C02K C02N C02D C03I 0.0 . . . . ?
C02U C030 C01M C01G 179.8(16) . . . . ?
C02W C03V C03M C01L 0.0 . . . . ?
C03V C02W C03J C03Z 0.0 . . . . ?
C03V C03M C01L C03Z 0.0 . . . . ?
C03V C03M C01L C035 179.8(18) . . . . ?
C03M C01L C03Z C03J 0.0 . . . . ?
C01L C03Z C03J C02W 0.0 . . . . ?
C03J C02W C03V C03M 0.0 . . . . ?
C02Z O00S C03W C03O -152.6(14) . . . . ?
C02Z O00S C03W C33 37(2) . . . . ?
C02Z C048 C02J C033 0.0 . . . . ?
C048 C02Z C01W P00O -173.5(12) . . . . ?
C048 C02Z C01W C016 0.0 . . . . ?
C048 C02J C033 C016 0.0 . . . . ?
C02J C033 C016 C01W 0.0 . . . . ?
C033 C016 C01W P00O 173.0(13) . . . . ?
C033 C016 C01W C02Z 0.0 . . . . ?
C01W P00O C01V C01A 74.7(10) . . . . ?
C01W P00O C01V C03F -106.9(10) . . . . ?
C01W P00O C02B C02M -128.0(9) . . . . ?
C01W P00O C02B C03T 46.5(11) . . . . ?
C01W C02Z C048 C02J 0.0 . . . . ?
C035 C01L C03Z C03J -179.8(18) . . . . ?
F03C C50 C03U C62 -177(2) . . . . ?
C03O P00P C26 C24 -143.8(11) . . . . ?
C03O P00P C26 C39 35.0(12) . . . . ?
C03O P00P C54 C02F 75.8(14) . . . . ?
C03O P00P C54 C139 -103.9(14) . . . . ?
C03O C32 C046 C42 0.0 . . . . ?
C32 C03O C03W O00S -171.2(18) . . . . ?
C32 C03O C03W C33 0.0 . . . . ?
C32 C046 C42 C33 0.0 . . . . ?
C046 C42 C33 C03W 0.0 . . . . ?
C42 C33 C03W O00S 170.6(19) . . . . ?
C42 C33 C03W C03O 0.0 . . . . ?
C03W O00S C02Z C048 55(2) . . . . ?
C03W O00S C02Z C01W -127.7(16) . . . . ?
C03W C03O C32 C046 0.0 . . . . ?
C03S C039 C02O C03Y 0.0 . . . . ?
C039 C03S C01Q P00K 171.7(12) . . . . ?
C039 C03S C01Q C038 0.0 . . . . ?
C039 C02O C03Y C038 0.0 . . . . ?
C02O C03Y C038 C01Q 0.0 . . . . ?
C03Y C038 C01Q P00K -172.2(11) . . . . ?
C03Y C038 C01Q C03S 0.0 . . . . ?
C01Q P00K C024 C02A -73.6(11) . . . . ?
C01Q P00K C024 C025 110.7(10) . . . . ?
C01Q P00K C02N C02D -0.6(10) . . . . ?
C01Q P00K C02N C02K -177.7(8) . . . . ?
C01Q C03S C039 C02O 0.0 . . . . ?
C042 C03A C02R C00V 0.0 . . . . ?
C03A C042 C04I C03K 0.0 . . . . ?
C03A C02R C00V Au09 177.9(12) . . . . ?
C03A C02R C00V C03K 0.0 . . . . ?
C02R C00V C03K C04I 0.0 . . . . ?
C00V C03K C04I C042 0.0 . . . . ?
C04I C042 C03A C02R 0.0 . . . . ?
C047 C027 C022 C02E -177.4(17) . . . . ?
C5 C24 C26 P00P 178.8(15) . . . . ?
C5 C24 C26 C39 0.0 . . . . ?
C24 C5 C40 C87 0.0 . . . . ?
C24 C26 C39 C87 0.0 . . . . ?
C26 P00P C03O C32 -113.5(12) . . . . ?
C26 P00P C03O C03W 62.4(12) . . . . ?
C26 P00P C54 C02F -175.8(12) . . . . ?
C26 P00P C54 C139 4.5(16) . . . . ?
C26 C39 C87 C40 0.0 . . . . ?
C39 C87 C40 C5 0.0 . . . . ?
C40 C5 C24 C26 0.0 . . . . ?
C36 C041 C45 C60 0.0 . . . . ?
C36 C041 C45 C81 -179(2) . . . . ?
C041 C36 C023 S00N -175.7(14) . . . . ?
C041 C36 C023 C034 0.0 . . . . ?
C041 C45 C60 C034 0.0 . . . . ?
C45 C60 C034 C023 0.0 . . . . ?
C60 C034 C023 S00N 175.9(13) . . . . ?
C60 C034 C023 C36 0.0 . . . . ?
C023 C36 C041 C45 0.0 . . . . ?
F44 C82 C55 C68 177(2) . . . . ?
C54 P00P C03O C32 -4.1(15) . . . . ?
C54 P00P C03O C03W 171.9(12) . . . . ?
C54 P00P C26 C24 105.9(13) . . . . ?
C54 P00P C26 C39 -75.3(13) . . . . ?
C54 C02F C04C C138 0.0 . . . . ?
C02F C54 C139 C99 0.0 . . . . ?
C02F C04C C138 C99 0.0 . . . . ?
C04C C138 C99 C139 0.0 . . . . ?
C138 C99 C139 C54 0.0 . . . . ?
C139 C54 C02F C04C 0.0 . . . . ?
C61 C41 C04R C50 0.0 . . . . ?
C61 B100 C04K C101 8(3) . . . . ?
C61 B100 C04K C68 -167.9(16) . . . . ?
C61 B100 C37 C29 69(3) . . . . ?
C61 B100 C37 C2 -99(3) . . . . ?
C61 B100 C1 C48 58(3) . . . . ?
C61 B100 C1 C3 -121(2) . . . . ?
C41 C61 C62 C03U 0.0 . . . . ?
C41 C61 B100 C04K 118(2) . . . . ?
C41 C61 B100 C37 -1(3) . . . . ?
C41 C61 B100 C1 -124(2) . . . . ?
C41 C04R C50 F03C 178(2) . . . . ?
C41 C04R C50 C03U 0.0 . . . . ?
C04R C50 C03U C62 0.0 . . . . ?
C50 C03U C62 C61 0.0 . . . . ?
C62 C61 C41 C04R 0.0 . . . . ?
C62 C61 B100 C04K -65(3) . . . . ?
C62 C61 B100 C37 176.2(19) . . . . ?
C62 C61 B100 C1 54(3) . . . . ?
C81 C45 C60 C034 179(2) . . . . ?
B100 C61 C41 C04R 177(2) . . . . ?
B100 C61 C62 C03U -177(2) . . . . ?
B100 C37 C2 C155 168(2) . . . . ?
B100 C1 C3 C51 179(3) . . . . ?
C101 C95 C82 F44 -177(3) . . . . ?
C101 C95 C82 C55 0.0 . . . . ?
C95 C101 C04K B100 -176(3) . . . . ?
C95 C101 C04K C68 0.0 . . . . ?
C95 C82 C55 C68 0.0 . . . . ?
C82 C55 C68 C04K 0.0 . . . . ?
C55 C68 C04K B100 176(2) . . . . ?
C55 C68 C04K C101 0.0 . . . . ?
C04K B100 C37 C29 -52(3) . . . . ?
C04K B100 C37 C2 140(2) . . . . ?
C04K B100 C1 C48 176.5(19) . . . . ?
C04K B100 C1 C3 -3(3) . . . . ?
C04K C101 C95 C82 0.0 . . . . ?
F28 C4 C179 C48 175(3) . . . . ?
F28 C4 C51 C3 -174(3) . . . . ?
F30 C56 C38 C29 174(3) . . . . ?
F30 C56 C155 C2 -175(3) . . . . ?
C56 C38 C29 C37 0.0 . . . . ?
C38 C56 C155 C2 0.0 . . . . ?
C38 C29 C37 B100 -168(2) . . . . ?
C38 C29 C37 C2 0.0 . . . . ?
C29 C37 C2 C155 0.0 . . . . ?
C37 B100 C04K C101 130(2) . . . . ?
C37 B100 C04K C68 -46(3) . . . . ?
C37 B100 C1 C48 -64(3) . . . . ?
C37 B100 C1 C3 116(2) . . . . ?
C37 C2 C155 C56 0.0 . . . . ?
C155 C56 C38 C29 0.0 . . . . ?
C44 C02S C036 C02P 0.0 . . . . ?
C02S P00J C014 C01U 70.7(8) . . . . ?
C02S P00J C014 C00Z -106.6(9) . . . . ?
C02S P00J C017 C02G -12.0(10) . . . . ?
C02S P00J C017 C01K 173.1(8) . . . . ?
C02S C44 C49 C04F 0.0 . . . . ?
C02S C036 C02P C04F 0.0 . . . . ?
C036 C02P C04F C49 0.0 . . . . ?
C02P C04F C49 C44 0.0 . . . . ?
C49 C44 C02S P00J -178.2(12) . . . . ?
C49 C44 C02S C036 0.0 . . . . ?
C4 C179 C48 C1 0.0 . . . . ?
C179 C4 C51 C3 0.0 . . . . ?
C179 C48 C1 B100 -179(3) . . . . ?
C179 C48 C1 C3 0.0 . . . . ?
C48 C1 C3 C51 0.0 . . . . ?
C1 B100 C04K C101 -108(2) . . . . ?
C1 B100 C04K C68 76(2) . . . . ?
C1 B100 C37 C29 -172(2) . . . . ?
C1 B100 C37 C2 20(3) . . . . ?
C1 C3 C51 C4 0.0 . . . . ?
C51 C4 C179 C48 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.453 0.000 0.000 1372.9 160.3 ?
2 0.250 0.934 0.385 14.7 0.0 ?
3 0.750 0.066 0.615 14.7 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.172 mm'
_STOE_detector_pixelsize_y       '0.172 mm'
_STOE_detector_size_x            '8.4 cm'
_STOE_detector_size_y            '10.6 cm'
_STOE_evaluation_integration_A   6.0
_STOE_evaluation_integration_B   0.5
_STOE_evaluation_integration_EMS 0.010
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 91.4
_STOE_evaluation_LANA_DXS_max_order 3
_STOE_evaluation_LANA_DYS_max_order 3
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 139.9
_STOE_evaluation_LANA_max_2theta_desired 139.9
_STOE_evaluation_LANA_mean_redundancy 1.9
_STOE_evaluation_LANA_number_refls_after_OR 56176
_STOE_evaluation_LANA_number_refls_outliers 3859
_STOE_evaluation_LANA_number_refls_total 60035
_STOE_evaluation_LANA_number_refls_unique 29237
_STOE_evaluation_LANA_number_refls_written 56176
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          14.9   29.7   44.5   59.3   74.1   88.9  103.7  118.5  133.3
#----------------------------------------------------------------------------
<Resolution>    4.89   2.88   2.01   1.55   1.26   1.10   0.98   0.90   0.85
N(total)         299   1442   2747   3535  10981  12778  12476  10714   5063
<Redundancy>     1.3    1.5    1.4    1.2    2.4    2.3    2.1    1.9    1.6
Complet. [%%]    82.6   95.0   92.3   89.7   94.9   98.9   97.8   95.8   67.2
<I/sigma>       40.3   36.6   31.4   10.5    6.2    3.7    2.3    2.9    2.3
R(int)         0.102  0.066  0.062  0.091  0.070  0.094  0.152  0.128  0.177
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     1
_STOE_measurement_max_exposure_per_frame '35.0 s'
_STOE_measurement_mean_exposure_per_frame '28.7 s'
_STOE_measurement_min_exposure_per_frame '5.0 s'
_STOE_measurement_total_exposure_time '11.7 h'
_STOE_measurement_total_frame_number 1465
_STOE_measurement_total_run_number 30
_STOE_measurement_tube_power     '30.0 W'

# start Validation Reply Form
_vrf_PLAT029_1                   
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.955 Why?  
RESPONSE: the week diffraction at high angles
;
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02326 Ang.  
RESPONSE: the week diffraction at high angles
;
# end Validation Reply Form
####################################################################### 
# 
# 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_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2307550'
loop_
_audit_author_name
_audit_author_address
'Chen Zhu'
;Anhui University
China
;
_audit_update_record             
;
2025-04-10 deposited with the CCDC.	2025-05-06 downloaded from the CCDC.
;
_audit_creation_date             2025-04-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C148 H120 Au15 Cl2 O3 P6 S4'
_chemical_formula_sum            'C148 H120 Au15 Cl2 O3 P6 S4'
_chemical_formula_weight         5285.89
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   20.4720(11)
_cell_length_b                   21.4293(13)
_cell_length_c                   22.5130(12)
_cell_angle_alpha                115.818(4)
_cell_angle_beta                 93.462(4)
_cell_angle_gamma                90.360(5)
_cell_volume                     8868.6(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19496
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.03
_cell_measurement_theta_min      5.91
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.208
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             4810
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            65665
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        62.498
_diffrn_reflns_theta_max         62.498
_diffrn_reflns_theta_min         5.940
_diffrn_ambient_temperature      120
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 300K'
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      '1738 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 mm, 0.6 diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'GeniX 3D HF Cu'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16946
_reflns_number_total             27410
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
X-Area Recipe 1.37.0.0 (STOE, 2021)
;
_computing_data_collection       'X-Area Pilatus3_SV 1.31.186.0 (STOE, 2022)'
_computing_data_reduction        
;
X-Area Integrate 2.5.3.0 (STOE, 2021)
X-Area LANA 2.7.5.0 (STOE, 2022)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.576
_refine_diff_density_min         -2.526
_refine_diff_density_rms         0.200
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1337
_refine_ls_number_reflns         27410
_refine_ls_number_restraints     1785
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      0.933
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1086P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1749
_refine_ls_wR_factor_ref         0.1872
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C32-Au0E
 2.013 with sigma of 0.01
 H175-H22A
 2.5 with sigma of 0.01
3. Rigid bond restraints
 Cl1, C41
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C00V \\sim C00W \\sim C00X \\sim C00Y \\sim C010 \\sim C013 \\sim C014 \\sim
C016 \\sim C017 \\sim C019 \\sim C01B \\sim C01C \\sim C01D \\sim C01Q \\sim
C023 \\sim C011 \\sim C00Z \\sim C01R \\sim C01E \\sim C01G \\sim C01H \\sim
C01I \\sim C01M \\sim C01N \\sim C01P \\sim C01S \\sim C01U \\sim C01X \\sim
C01Z \\sim C020 \\sim C021 \\sim C50 \\sim C51 \\sim C02C \\sim C01J \\sim C012
\\sim C022 \\sim C024 \\sim C026 \\sim C028 \\sim C01A \\sim C01V \\sim C01Y
\\sim C02P \\sim C02G \\sim C029 \\sim C02U \\sim C02Z \\sim C032 \\sim C033
\\sim C2 \\sim C4 \\sim C9 \\sim C25 \\sim C33 \\sim C60 \\sim C23 \\sim C39
\\sim C11 \\sim C1 \\sim C7 \\sim C13 \\sim C38 \\sim C70 \\sim C78 \\sim C125
\\sim C147 \\sim C56 \\sim C3 \\sim C6 \\sim C5 \\sim C8 \\sim C10 \\sim C12
\\sim C175 \\sim C141 \\sim C22 \\sim C20 \\sim C37 \\sim C66 \\sim C32 \\sim
C36 \\sim C40 \\sim C41 \\sim C42 \\sim C26 \\sim C43 \\sim C24 \\sim C27 \\sim
C132 \\sim C143 \\sim C80 \\sim C63 \\sim C47 \\sim C67 \\sim C34 \\sim C45
\\sim C46 \\sim C49 \\sim C48 \\sim C30 \\sim C29 \\sim C21 \\sim C14 \\sim C53
\\sim C79 \\sim C65 \\sim C54 \\sim C55 \\sim C52 \\sim C68 \\sim C74 \\sim C73
\\sim C71 \\sim C72 \\sim C69 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89
\\sim C84 \\sim C75 \\sim C83 \\sim C82 \\sim C81 \\sim C77 \\sim C76 \\sim
C224 \\sim C44 \\sim C15 \\sim C28 \\sim C19 \\sim C18 \\sim C17 \\sim C16
\\sim C91 \\sim C31 \\sim C35 \\sim C59 \\sim C90 \\sim C154: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C57 \\sim C58 \\sim C61 \\sim C216 \\sim C62 \\sim C64: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C00V) \\sim Ueq, Uanis(C00W) \\sim Ueq, Uanis(C00X) \\sim Ueq,
Uanis(C00Y) \\sim Ueq, Uanis(C010) \\sim Ueq, Uanis(C013) \\sim Ueq,
Uanis(C014) \\sim Ueq, Uanis(C016) \\sim Ueq, Uanis(C017) \\sim Ueq,
Uanis(C019) \\sim Ueq, Uanis(C01B) \\sim Ueq, Uanis(C01C) \\sim Ueq,
Uanis(C01D) \\sim Ueq, Uanis(C01Q) \\sim Ueq, Uanis(C023) \\sim Ueq,
Uanis(C011) \\sim Ueq, Uanis(C00Z) \\sim Ueq, Uanis(C01R) \\sim Ueq,
Uanis(C01E) \\sim Ueq, Uanis(C01G) \\sim Ueq, Uanis(C01H) \\sim Ueq,
Uanis(C01I) \\sim Ueq, Uanis(C01M) \\sim Ueq, Uanis(C01N) \\sim Ueq,
Uanis(C01P) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C01U) \\sim Ueq,
Uanis(C01X) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C020) \\sim Ueq,
Uanis(C021) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C02C)
\\sim Ueq, Uanis(C01J) \\sim Ueq, Uanis(C012) \\sim Ueq, Uanis(C022) \\sim Ueq,
Uanis(C024) \\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(C028) \\sim Ueq,
Uanis(C01A) \\sim Ueq, Uanis(C01V) \\sim Ueq, Uanis(C01Y) \\sim Ueq,
Uanis(C02P) \\sim Ueq, Uanis(C02G) \\sim Ueq, Uanis(C029) \\sim Ueq,
Uanis(C02U) \\sim Ueq, Uanis(C02Z) \\sim Ueq, Uanis(C032) \\sim Ueq,
Uanis(C033) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C9)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C60) \\sim Ueq,
Uanis(C23) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C1)
\\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C38) \\sim Ueq,
Uanis(C70) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C147)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C6) \\sim Ueq,
Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C12)
\\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(C141) \\sim Ueq, Uanis(C22) \\sim Ueq,
Uanis(C20) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq,
Uanis(C42) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C132) \\sim Ueq, Uanis(C143) \\sim Ueq,
Uanis(C80) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C67)
\\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C46) \\sim Ueq,
Uanis(C49) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C29)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C53) \\sim Ueq,
Uanis(C79) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C74) \\sim Ueq,
Uanis(C73) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C87) \\sim Ueq,
Uanis(C88) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C75)
\\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C81) \\sim Ueq,
Uanis(C77) \\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C224) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C19) \\sim Ueq,
Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C91)
\\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C59) \\sim Ueq,
Uanis(C90) \\sim Ueq, Uanis(C154) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C216)
\\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C64) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C41) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C41) \\sim Ueq, Uanis(Cl1) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
5. Others
 Fixed Sof: Au0D(0.82) Au0E(0.72) Au1(0.18) Au2(0.28)
6.a Aromatic/amide H refined with riding coordinates:
 C00X(H00X), C016(H016), C01N(H01N), C01G(H01G), C019(H019), C026(H026),
 C01X(H01X), C01B(H01B), C00W(H00W), C01Q(H01Q), C023(H023), C00Z(H00Z),
 C01R(H01R), C01E(H01E), C024(H024), C02U(H02U), C029(H029), C01S(H01S),
 C013(H013), C01H(H01H), C01Z(H01Z), C01U(H01U), C01C(H01C), C020(H020),
 C032(H032), C02Z(H02Z), C021(H021), C50(H50), C51(H51), C02C(H02C), C01J(H01J),
  C01V(H01V), C01Y(H01Y), C02P(H02P), C02G(H02G), C33(H33), C60(H60), C25(H25),
 C9(H9), C4(H4), C23(H23), C39(H39), C11(H11), C13(H13), C56(H56), C38(H38),
 C70(H70), C78(H78), C3(H3), C10(H10), C12(H12), C8(H8), C175(H175), C22(H22),
 C20(H20), C66(H66), C36(H36), C40(H40), C42(H42), C26(H26), C43(H43), C24(H24),
  C27(H27), C143(H143), C80(H80), C63(H63), C47(H47), C67(H67), C34(H34),
 C46(H46), C49(H49), C48(H48), C29(H29), C21(H21), C53(H53), C79(H79), C65(H65),
  C54(H54), C55(H55), C74(H74), C73(H73), C71(H71), C72(H72), C69(H69),
 C86(H86), C87(H87), C88(H88), C89(H89), C84(H84), C83(H83), C82(H82), C81(H81),
  C77(H77), C76(H76), C15(H15), C28(H28), C19(H19), C18(H18), C17(H17),
 C91(H91), C35(H35), C59(H59), C90(H90), C154(H154), C64(H64), C62(H62),
 C216(H216), C61(H61)
6.b Fitted hexagon refined as free rotating group:
 C00V(C00X,C016,C017,C01N,C01G), C019(C026,C01X,C01B,C00W,C00Y), C01D(C01Q,
 C023,C011,C00Z,C01R), C01I(C010,C01E,C024,C02U,C029), C01S(C014,C013,C01H,C01P,
 C01Z), C01U(C01C,C01M,C020,C032,C02Z), C021(C50,C51,C02C,C01J,C012), C028(C01A,
 C01V,C01Y,C02P,C02G), C2(C33,C60,C25,C9,C4), C23(C39,C11,C1,C7,C13), C125(C147,
 C56,C38,C70,C78), C5(C6,C3,C10,C12,C8), C175(C141,C22,C20,C37,C66), C32(C36,
 C40,C41,C42,C26), C43(C24,C27,C132,C143,C80), C63(C47,C67,C34,C45,C46),
 C49(C48,C30,C29,C21,C14), C53(C79,C65,C54,C55,C52), C68(C74,C73,C71,C72,C69),
 C85(C86,C87,C88,C89,C84), C75(C83,C82,C81,C77,C76), C16(C15,C28,C19,C18,C17),
 C91(C31,C35,C59,C90,C154), C64(C62,C216,C61,C58,C57)
6.c Idealised Me refined as rotating group:
 C022(H02A,H02B,H02D), C033(H03A,H03B,H03C), C224(H22A,H22B,H22C), C44(H44A,
 H44B,H44C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au01 Au 0.38784(3) 0.63645(4) 0.40807(4) 0.06262(18) Uani 1 1 d . . . . .
Au02 Au 0.27111(3) 0.54493(4) 0.39144(3) 0.06171(18) Uani 1 1 d . . . . .
Au03 Au 0.45591(3) 0.50850(4) 0.37283(3) 0.05983(17) Uani 1 1 d . . . . .
Au04 Au 0.35150(3) 0.51066(4) 0.27812(3) 0.06525(19) Uani 1 1 d . . . . .
Au05 Au 0.26850(3) 0.69416(4) 0.46346(4) 0.0680(2) Uani 1 1 d . . . . .
Au06 Au 0.27729(3) 0.62857(4) 0.32726(4) 0.0714(2) Uani 1 1 d . . . . .
Au07 Au 0.15689(3) 0.60827(5) 0.36898(4) 0.0756(2) Uani 1 1 d . . . . .
Au08 Au 0.21109(3) 0.50019(5) 0.25822(4) 0.0791(2) Uani 1 1 d . . . . .
Au09 Au 0.39827(4) 0.63905(4) 0.28043(4) 0.0765(2) Uani 1 1 d . . . . .
Au0A Au 0.34463(4) 0.75397(4) 0.39374(4) 0.0814(2) Uani 1 1 d . . . . .
Au0B Au 0.28902(4) 0.56322(6) 0.19331(4) 0.0881(3) Uani 1 1 d . . . . .
Au0C Au 0.20342(4) 0.74585(5) 0.37603(5) 0.0916(3) Uani 1 1 d . . . . .
Au0D Au 0.28318(6) 0.72160(8) 0.26917(7) 0.0777(4) Uani 0.82 1 d . . P . .
Au0E Au 0.17035(8) 0.63577(10) 0.25377(9) 0.0712(5) Uani 0.72 1 d D . P . .
Au0F Au 0.08978(5) 0.73466(6) 0.44435(5) 0.1127(4) Uani 1 1 d . . . . .
S00G S 0.48253(18) 0.6130(2) 0.4641(2) 0.0626(9) Uani 1 1 d . . . . .
S00H S 0.41494(18) 0.4158(2) 0.2767(2) 0.0652(10) Uani 1 1 d . . . . .
P00I P 0.26918(18) 0.4713(2) 0.4405(2) 0.0597(9) Uani 1 1 d . . . . .
P00J P 0.2581(2) 0.7540(3) 0.5750(2) 0.0698(11) Uani 1 1 d . . . . .
P00K P 0.1620(2) 0.3922(4) 0.1988(2) 0.0951(19) Uani 1 1 d . . . . .
P00L P 0.2958(2) 0.5123(4) 0.0817(3) 0.103(2) Uani 1 1 d . . . . .
P00M P 0.3992(3) 0.8589(3) 0.4444(3) 0.100(2) Uani 1 1 d . . . . .
S00N S 0.0579(2) 0.6231(3) 0.4264(2) 0.0893(15) Uani 1 1 d . . . . .
Cl00 Cl 0.6882(3) 0.6211(4) 0.1630(3) 0.134(3) Uani 1 1 d . . . . .
S00P S 0.1361(3) 0.8344(3) 0.4491(3) 0.112(2) Uani 1 1 d . . . . .
P00Q P 0.2861(5) 0.7921(5) 0.2177(4) 0.159(4) Uani 1 1 d . . . . .
O00R O 0.2225(5) 0.3720(6) 0.3077(6) 0.075(3) Uani 1 1 d . . . . .
O00T O 0.3408(7) 0.8535(6) 0.5563(7) 0.094(4) Uani 1 1 d . . . . .
C00V C 0.4884(4) 0.6341(6) 0.2420(5) 0.064(3) Uani 1 1 d G U . . .
C00X C 0.5448(5) 0.6389(6) 0.2815(4) 0.072(3) Uani 1 1 d G U . . .
H00X H 0.541679 0.644430 0.324531 0.087 Uiso 1 1 calc R U . . .
C016 C 0.6059(4) 0.6354(6) 0.2567(5) 0.071(3) Uani 1 1 d G U . . .
H016 H 0.643697 0.638641 0.283157 0.085 Uiso 1 1 calc R U . . .
C017 C 0.6106(4) 0.6272(6) 0.1924(5) 0.069(3) Uani 1 1 d G U . . .
C01N C 0.5542(5) 0.6224(6) 0.1528(4) 0.073(3) Uani 1 1 d G U . . .
H01N H 0.557371 0.616928 0.109796 0.088 Uiso 1 1 calc R U . . .
C01G C 0.4931(4) 0.6259(6) 0.1776(5) 0.069(3) Uani 1 1 d G U . . .
H01G H 0.455353 0.622716 0.151168 0.083 Uiso 1 1 calc R U . . .
O015 O 0.2823(8) 0.6530(10) 0.1017(7) 0.126(7) Uani 1 1 d . . . . .
C019 C 0.2810(4) 0.5289(5) 0.5783(5) 0.070(3) Uani 1 1 d G U . . .
H019 H 0.236669 0.517511 0.575404 0.084 Uiso 1 1 calc R U . . .
C026 C 0.3144(5) 0.5650(5) 0.6399(4) 0.075(3) Uani 1 1 d G U . . .
H026 H 0.292327 0.577757 0.678213 0.090 Uiso 1 1 calc R U . . .
C01X C 0.3807(5) 0.5821(5) 0.6443(4) 0.072(3) Uani 1 1 d G U . . .
H01X H 0.402986 0.606255 0.685507 0.087 Uiso 1 1 calc R U . . .
C01B C 0.4136(4) 0.5631(5) 0.5871(5) 0.064(3) Uani 1 1 d G U . . .
H01B H 0.457988 0.574507 0.589993 0.077 Uiso 1 1 calc R U . . .
C00W C 0.3803(4) 0.5270(5) 0.5255(4) 0.062(3) Uani 1 1 d G U . . .
H00W H 0.402332 0.514261 0.487184 0.075 Uiso 1 1 calc R U . . .
C00Y C 0.3140(5) 0.5099(5) 0.5211(4) 0.063(3) Uani 1 1 d G U . . .
C01D C 0.6007(4) 0.3771(6) 0.1639(5) 0.076(3) Uani 1 1 d G U . . .
C01Q C 0.5768(5) 0.4436(5) 0.1912(6) 0.076(3) Uani 1 1 d G U . . .
H01Q H 0.599503 0.479659 0.188036 0.091 Uiso 1 1 calc R U . . .
C023 C 0.5189(5) 0.4563(4) 0.2231(5) 0.073(3) Uani 1 1 d G U . . .
H023 H 0.502904 0.500815 0.241379 0.087 Uiso 1 1 calc R U . . .
C011 C 0.4849(4) 0.4024(5) 0.2279(5) 0.066(3) Uani 1 1 d G U . . .
C00Z C 0.5089(5) 0.3359(4) 0.2006(5) 0.071(3) Uani 1 1 d G U . . .
H00Z H 0.486141 0.299873 0.203764 0.085 Uiso 1 1 calc R U . . .
C01R C 0.5667(5) 0.3232(4) 0.1687(5) 0.072(3) Uani 1 1 d G U . . .
H01R H 0.582740 0.278715 0.150420 0.087 Uiso 1 1 calc R U . . .
C01I C 0.2715(5) 0.3455(6) 0.3306(6) 0.076(4) Uani 1 1 d G U . . .
C010 C 0.3028(5) 0.3855(5) 0.3925(5) 0.069(3) Uani 1 1 d G U . . .
C01E C 0.3560(5) 0.3598(5) 0.4152(5) 0.070(3) Uani 1 1 d G U . . .
H01E H 0.376894 0.386549 0.456586 0.083 Uiso 1 1 calc R U . . .
C024 C 0.3779(5) 0.2942(6) 0.3759(6) 0.084(4) Uani 1 1 d G U . . .
H024 H 0.413448 0.277067 0.391011 0.101 Uiso 1 1 calc R U . . .
C02U C 0.3466(6) 0.2543(5) 0.3140(6) 0.091(4) Uani 1 1 d G U . . .
H02U H 0.361219 0.210403 0.287667 0.109 Uiso 1 1 calc R U . . .
C029 C 0.2934(6) 0.2799(6) 0.2913(5) 0.090(4) Uani 1 1 d G U . . .
H029 H 0.272435 0.253221 0.249898 0.108 Uiso 1 1 calc R U . . .
C01S C 0.5653(4) 0.7184(5) 0.4775(5) 0.069(3) Uani 1 1 d G U . . .
H01S H 0.532676 0.746884 0.501112 0.083 Uiso 1 1 calc R U . . .
C014 C 0.5550(4) 0.6468(5) 0.4475(5) 0.060(3) Uani 1 1 d G U . . .
C013 C 0.6037(5) 0.6043(4) 0.4122(5) 0.062(3) Uani 1 1 d G U . . .
H013 H 0.596877 0.556380 0.392079 0.075 Uiso 1 1 calc R U . . .
C01H C 0.6627(4) 0.6334(5) 0.4069(5) 0.066(3) Uani 1 1 d G U . . .
H01H H 0.695258 0.604985 0.383273 0.080 Uiso 1 1 calc R U . . .
C01P C 0.6729(4) 0.7051(5) 0.4369(6) 0.074(3) Uani 1 1 d G U . . .
C01Z C 0.6242(5) 0.7476(4) 0.4722(6) 0.078(3) Uani 1 1 d G U . . .
H01Z H 0.631060 0.795490 0.492306 0.093 Uiso 1 1 calc R U . . .
C01U C 0.4420(5) 0.7318(6) 0.6388(6) 0.086(4) Uani 1 1 d G U . . .
H01U H 0.479429 0.709380 0.619704 0.104 Uiso 1 1 calc R U . . .
C01C C 0.3853(6) 0.7257(6) 0.5992(5) 0.081(4) Uani 1 1 d G U . . .
H01C H 0.384737 0.699191 0.553620 0.097 Uiso 1 1 calc R U . . .
C01M C 0.3294(5) 0.7591(6) 0.6276(6) 0.077(4) Uani 1 1 d G U . . .
C020 C 0.3303(5) 0.7987(6) 0.6957(6) 0.086(4) Uani 1 1 d G U . . .
H020 H 0.292917 0.821127 0.714732 0.103 Uiso 1 1 calc R U . . .
C032 C 0.3870(6) 0.8048(6) 0.7353(5) 0.088(4) Uani 1 1 d G U . . .
H032 H 0.387608 0.831318 0.780818 0.105 Uiso 1 1 calc R U . . .
C02Z C 0.4429(5) 0.7714(6) 0.7068(6) 0.089(4) Uani 1 1 d G U . . .
H02Z H 0.480864 0.775445 0.733304 0.106 Uiso 1 1 calc R U . . .
C021 C 0.1320(6) 0.4718(6) 0.4372(6) 0.088(4) Uani 1 1 d G U . . .
H021 H 0.135075 0.501337 0.416980 0.106 Uiso 1 1 calc R U . . .
C50 C 0.0709(5) 0.4527(7) 0.4492(7) 0.096(4) Uani 1 1 d G U . . .
H50 H 0.033176 0.469530 0.436993 0.115 Uiso 1 1 calc R U . . .
C51 C 0.0663(4) 0.4086(7) 0.4793(7) 0.096(4) Uani 1 1 d G U . . .
H51 H 0.025405 0.395839 0.487352 0.115 Uiso 1 1 calc R U . . .
C02C C 0.1226(6) 0.3835(6) 0.4975(6) 0.077(3) Uani 1 1 d G U . . .
H02C H 0.119532 0.353955 0.517698 0.093 Uiso 1 1 calc R U . . .
C01J C 0.1837(4) 0.4026(6) 0.4855(6) 0.074(3) Uani 1 1 d G U . . .
H01J H 0.221431 0.385762 0.497686 0.089 Uiso 1 1 calc R U . . .
C012 C 0.1884(4) 0.4467(6) 0.4553(6) 0.073(3) Uani 1 1 d G U . . .
C022 C 0.6657(9) 0.3681(11) 0.1310(11) 0.099(6) Uani 1 1 d . U . . .
H02A H 0.670986 0.403399 0.116045 0.149 Uiso 1 1 calc R U . . .
H02B H 0.665418 0.323238 0.093947 0.149 Uiso 1 1 calc R U . . .
H02D H 0.701244 0.372129 0.162391 0.149 Uiso 1 1 calc R U . . .
C028 C 0.4430(6) 0.8761(6) 0.5257(5) 0.083(4) Uani 1 1 d G U . . .
C01A C 0.4049(5) 0.8755(6) 0.5745(7) 0.084(4) Uani 1 1 d G U . . .
C01V C 0.4338(7) 0.8894(7) 0.6367(6) 0.098(4) Uani 1 1 d G U . . .
H01V H 0.408249 0.889067 0.669348 0.117 Uiso 1 1 calc R U . . .
C01Y C 0.5008(7) 0.9039(6) 0.6500(6) 0.100(4) Uani 1 1 d G U . . .
H01Y H 0.520101 0.913168 0.691614 0.120 Uiso 1 1 calc R U . . .
C02P C 0.5389(5) 0.9044(6) 0.6012(8) 0.098(4) Uani 1 1 d G U . . .
H02P H 0.583727 0.914075 0.610120 0.117 Uiso 1 1 calc R U . . .
C02G C 0.5100(6) 0.8905(6) 0.5390(6) 0.095(4) Uani 1 1 d G U . . .
H02G H 0.535500 0.890882 0.506361 0.114 Uiso 1 1 calc R U . . .
C033 C 0.7375(10) 0.7364(10) 0.4305(12) 0.101(6) Uani 1 1 d . U . . .
H03A H 0.771891 0.704984 0.426995 0.152 Uiso 1 1 calc R U . . .
H03B H 0.747057 0.779598 0.468761 0.152 Uiso 1 1 calc R U . . .
H03C H 0.734205 0.744265 0.391586 0.152 Uiso 1 1 calc R U . . .
Au1 Au 0.2625(2) 0.6919(3) 0.2469(2) 0.0483(11) Uani 0.18 1 d . . P . .
Au2 Au 0.15526(19) 0.6055(2) 0.2419(3) 0.0580(10) Uani 0.28 1 d . . P . .
C2 C 0.2154(6) 0.3209(6) 0.1538(7) 0.092(4) Uani 1 1 d G U . . .
C33 C 0.1920(5) 0.2525(7) 0.1292(7) 0.103(4) Uani 1 1 d G U . . .
H33 H 0.147925 0.243034 0.130955 0.123 Uiso 1 1 calc R U . . .
C60 C 0.2344(7) 0.1984(6) 0.1020(7) 0.110(5) Uani 1 1 d G U . . .
H60 H 0.218745 0.152739 0.085552 0.132 Uiso 1 1 calc R U . . .
C25 C 0.3002(6) 0.2127(6) 0.0994(7) 0.109(5) Uani 1 1 d G U . . .
H25 H 0.328611 0.176464 0.081206 0.131 Uiso 1 1 calc R U . . .
C9 C 0.3236(5) 0.2810(7) 0.1240(7) 0.102(4) Uani 1 1 d G U . . .
H9 H 0.367658 0.290482 0.122262 0.122 Uiso 1 1 calc R U . . .
C4 C 0.2812(6) 0.3351(5) 0.1512(7) 0.091(4) Uani 1 1 d G U . . .
H4 H 0.296838 0.380779 0.167665 0.109 Uiso 1 1 calc R U . . .
C23 C 0.0359(5) 0.2847(7) 0.2583(7) 0.102(4) Uani 1 1 d G U . . .
H23 H -0.006825 0.266372 0.247876 0.123 Uiso 1 1 calc R U . . .
C39 C 0.0772(7) 0.2701(7) 0.3016(7) 0.102(4) Uani 1 1 d G U . . .
H39 H 0.062100 0.241853 0.320039 0.123 Uiso 1 1 calc R U . . .
C11 C 0.1410(6) 0.2975(7) 0.3172(6) 0.097(4) Uani 1 1 d G U . . .
H11 H 0.168638 0.287682 0.346165 0.116 Uiso 1 1 calc R U . . .
C1 C 0.1635(5) 0.3397(7) 0.2897(7) 0.084(4) Uani 1 1 d G U . . .
C7 C 0.1222(6) 0.3543(7) 0.2464(7) 0.090(4) Uani 1 1 d G U . . .
C13 C 0.0584(6) 0.3269(7) 0.2308(6) 0.097(4) Uani 1 1 d G U . . .
H13 H 0.030789 0.336720 0.201838 0.116 Uiso 1 1 calc R U . . .
C125 C 0.2410(11) 0.7695(14) 0.1427(10) 0.162(7) Uani 1 1 d G U . . .
C147 C 0.2493(10) 0.7026(12) 0.0945(14) 0.162(7) Uani 1 1 d G U . . .
C56 C 0.2143(12) 0.6788(9) 0.0333(11) 0.168(7) Uani 1 1 d G U . . .
H56 H 0.219824 0.634061 0.001033 0.201 Uiso 1 1 calc R U . . .
C38 C 0.1710(11) 0.7218(13) 0.0205(10) 0.170(7) Uani 1 1 d G U . . .
H38 H 0.147546 0.705903 -0.020410 0.204 Uiso 1 1 calc R U . . .
C70 C 0.1627(10) 0.7887(12) 0.0688(13) 0.175(7) Uani 1 1 d G U . . .
H70 H 0.133681 0.817499 0.060169 0.210 Uiso 1 1 calc R U . . .
C78 C 0.1977(12) 0.8125(9) 0.1299(11) 0.175(7) Uani 1 1 d G U . . .
H78 H 0.192093 0.857253 0.162193 0.210 Uiso 1 1 calc R U . . .
C5 C 0.3363(6) 0.6282(7) 0.0662(7) 0.101(4) Uani 1 1 d G U . . .
C6 C 0.3492(6) 0.5592(7) 0.0496(7) 0.089(4) Uani 1 1 d G U . . .
C3 C 0.3996(7) 0.5277(5) 0.0093(6) 0.091(4) Uani 1 1 d G U . . .
H3 H 0.408250 0.481486 -0.001844 0.109 Uiso 1 1 calc R U . . .
C10 C 0.4371(6) 0.5652(7) -0.0143(6) 0.103(4) Uani 1 1 d G U . . .
H10 H 0.470871 0.544100 -0.041235 0.124 Uiso 1 1 calc R U . . .
C12 C 0.4242(7) 0.6342(7) 0.0024(7) 0.108(4) Uani 1 1 d G U . . .
H12 H 0.449316 0.659305 -0.013431 0.130 Uiso 1 1 calc R U . . .
C8 C 0.3738(7) 0.6657(6) 0.0426(7) 0.110(5) Uani 1 1 d G U . . .
H8 H 0.365140 0.711897 0.053764 0.132 Uiso 1 1 calc R U . . .
C175 C 0.0165(15) 0.8449(17) 0.3092(11) 0.219(9) Uani 1 1 d G U . . .
H175 H 0.003032 0.816682 0.265219 0.263 Uiso 1 1 calc DR U . . .
C141 C -0.0059(12) 0.9119(19) 0.3403(17) 0.220(9) Uani 1 1 d G U . . .
C22 C 0.0143(14) 0.9540(11) 0.4060(18) 0.211(9) Uani 1 1 d G U . . .
H22 H -0.000691 0.998834 0.426834 0.253 Uiso 1 1 calc R U . . .
C20 C 0.0569(14) 0.9292(16) 0.4406(11) 0.203(9) Uani 1 1 d G U . . .
H20 H 0.070400 0.957447 0.484519 0.244 Uiso 1 1 calc R U . . .
C37 C 0.0793(12) 0.8623(18) 0.4094(17) 0.201(9) Uani 1 1 d G U . . .
C66 C 0.0591(14) 0.8201(11) 0.3437(17) 0.208(9) Uani 1 1 d G U . . .
H66 H 0.074124 0.775295 0.322904 0.249 Uiso 1 1 calc R U . . .
C32 C 0.0836(8) 0.6386(10) 0.2051(10) 0.152(6) Uani 1 1 d DG U . . .
C36 C 0.0912(8) 0.6724(10) 0.1653(10) 0.154(6) Uani 1 1 d G U . . .
H36 H 0.132762 0.680214 0.154861 0.185 Uiso 1 1 calc R U . . .
C40 C 0.0365(12) 0.6945(9) 0.1411(9) 0.157(6) Uani 1 1 d G U . . .
H40 H 0.041555 0.717139 0.114417 0.189 Uiso 1 1 calc R U . . .
C41 C -0.0257(9) 0.6829(10) 0.1566(11) 0.164(5) Uani 1 1 d G U . . .
C42 C -0.0332(7) 0.6491(11) 0.1964(11) 0.163(6) Uani 1 1 d G U . . .
H42 H -0.074792 0.641254 0.206863 0.196 Uiso 1 1 calc R U . . .
C26 C 0.0215(11) 0.6269(10) 0.2207(9) 0.157(6) Uani 1 1 d G U . . .
H26 H 0.016414 0.604329 0.247308 0.188 Uiso 1 1 calc R U . . .
Cl1 Cl -0.1021(6) 0.7096(6) 0.1316(6) 0.220(5) Uani 1 1 d . U . . .
C43 C 0.0989(7) 0.4723(9) -0.0401(9) 0.140(6) Uani 1 1 d G U . . .
H43 H 0.059073 0.462167 -0.065105 0.169 Uiso 1 1 calc R U . . .
C24 C 0.1007(7) 0.4856(9) 0.0262(9) 0.127(5) Uani 1 1 d G U . . .
H24 H 0.062120 0.484304 0.045510 0.153 Uiso 1 1 calc R U . . .
C27 C 0.1602(9) 0.5007(9) 0.0637(6) 0.117(5) Uani 1 1 d G U . . .
H27 H 0.161428 0.509594 0.107992 0.140 Uiso 1 1 calc R U . . .
C132 C 0.2179(7) 0.5026(9) 0.0348(8) 0.119(5) Uani 1 1 d G U . . .
C143 C 0.2161(8) 0.4893(9) -0.0315(9) 0.130(5) Uani 1 1 d G U . . .
H143 H 0.254644 0.490614 -0.050756 0.156 Uiso 1 1 calc R U . . .
C80 C 0.1566(10) 0.4742(9) -0.0689(6) 0.138(6) Uani 1 1 d G U . . .
H80 H 0.155336 0.465323 -0.113239 0.165 Uiso 1 1 calc R U . . .
C63 C 0.0369(11) 0.3333(9) 0.0360(8) 0.157(6) Uani 1 1 d G U . . .
H63 H 0.032025 0.297625 -0.006677 0.188 Uiso 1 1 calc R U . . .
C47 C -0.0097(8) 0.3838(11) 0.0581(10) 0.161(6) Uani 1 1 d G U . . .
H47 H -0.045812 0.381946 0.030137 0.193 Uiso 1 1 calc R U . . .
C67 C -0.0024(9) 0.4371(9) 0.1218(11) 0.150(6) Uani 1 1 d G U . . .
H67 H -0.033572 0.470883 0.136600 0.180 Uiso 1 1 calc R U . . .
C34 C 0.0516(10) 0.4398(9) 0.1636(8) 0.140(6) Uani 1 1 d G U . . .
H34 H 0.056504 0.475498 0.206250 0.168 Uiso 1 1 calc R U . . .
C45 C 0.0982(8) 0.3893(11) 0.1415(10) 0.135(6) Uani 1 1 d G U . . .
C46 C 0.0909(9) 0.3360(9) 0.0777(11) 0.146(6) Uani 1 1 d G U . . .
H46 H 0.122103 0.302240 0.062973 0.175 Uiso 1 1 calc R U . . .
C49 C -0.0529(9) 0.6487(7) 0.3699(9) 0.122(5) Uani 1 1 d G U . . .
H49 H -0.041021 0.695479 0.393779 0.147 Uiso 1 1 calc R U . . .
C48 C -0.1125(8) 0.6290(9) 0.3325(10) 0.131(5) Uani 1 1 d G U . . .
H48 H -0.140372 0.662564 0.331361 0.158 Uiso 1 1 calc R U . . .
C30 C -0.1303(7) 0.5591(11) 0.2968(9) 0.139(5) Uani 1 1 d G U . . .
C29 C -0.0885(10) 0.5089(7) 0.2986(9) 0.139(6) Uani 1 1 d G U . . .
H29 H -0.100438 0.462098 0.274714 0.167 Uiso 1 1 calc R U . . .
C21 C -0.0290(9) 0.5286(8) 0.3360(10) 0.128(5) Uani 1 1 d G U . . .
H21 H -0.001088 0.495012 0.337131 0.154 Uiso 1 1 calc R U . . .
C14 C -0.0112(7) 0.5985(10) 0.3716(9) 0.118(5) Uani 1 1 d G U . . .
C53 C 0.1729(8) 0.7506(7) 0.6679(8) 0.130(5) Uani 1 1 d G U . . .
H53 H 0.190192 0.794711 0.695865 0.156 Uiso 1 1 calc R U . . .
C79 C 0.1277(8) 0.7185(9) 0.6902(6) 0.136(5) Uani 1 1 d G U . . .
H79 H 0.114724 0.741158 0.733157 0.163 Uiso 1 1 calc R U . . .
C65 C 0.1019(7) 0.6527(9) 0.6484(9) 0.128(5) Uani 1 1 d G U . . .
H65 H 0.071631 0.631198 0.663304 0.154 Uiso 1 1 calc R U . . .
C54 C 0.1213(8) 0.6189(7) 0.5842(8) 0.127(5) Uani 1 1 d G U . . .
H54 H 0.104006 0.574791 0.556159 0.152 Uiso 1 1 calc R U . . .
C55 C 0.1665(8) 0.6510(8) 0.5618(6) 0.122(5) Uani 1 1 d G U . . .
H55 H 0.179473 0.628342 0.518866 0.146 Uiso 1 1 calc R U . . .
C52 C 0.1923(7) 0.7168(8) 0.6037(9) 0.106(5) Uani 1 1 d G U . . .
C68 C 0.3331(7) 0.4316(6) 0.0546(8) 0.097(4) Uani 1 1 d G U . . .
C74 C 0.3907(7) 0.4257(6) 0.0875(6) 0.093(4) Uani 1 1 d G U . . .
H74 H 0.406723 0.462795 0.126524 0.111 Uiso 1 1 calc R U . . .
C73 C 0.4243(6) 0.3643(8) 0.0622(7) 0.096(4) Uani 1 1 d G U . . .
H73 H 0.462789 0.360404 0.084194 0.115 Uiso 1 1 calc R U . . .
C71 C 0.4003(8) 0.3089(6) 0.0039(8) 0.113(5) Uani 1 1 d G U . . .
H71 H 0.422768 0.267826 -0.013096 0.135 Uiso 1 1 calc R U . . .
C72 C 0.3427(8) 0.3147(7) -0.0291(7) 0.122(5) Uani 1 1 d G U . . .
H72 H 0.326683 0.277638 -0.068056 0.146 Uiso 1 1 calc R U . . .
C69 C 0.3091(6) 0.3761(8) -0.0037(8) 0.114(5) Uani 1 1 d G U . . .
H69 H 0.270616 0.380029 -0.025726 0.137 Uiso 1 1 calc R U . . .
C85 C 0.3521(8) 0.9372(7) 0.4693(8) 0.109(5) Uani 1 1 d G U . . .
C86 C 0.3776(6) 1.0036(8) 0.5099(8) 0.107(5) Uani 1 1 d G U . . .
H86 H 0.421858 1.010345 0.523895 0.129 Uiso 1 1 calc R U . . .
C87 C 0.3370(8) 1.0598(6) 0.5294(8) 0.116(5) Uani 1 1 d G U . . .
H87 H 0.354089 1.104223 0.556554 0.139 Uiso 1 1 calc R U . . .
C88 C 0.2709(8) 1.0497(7) 0.5085(9) 0.121(5) Uani 1 1 d G U . . .
H88 H 0.243729 1.087286 0.521566 0.145 Uiso 1 1 calc R U . . .
C89 C 0.2454(6) 0.9833(8) 0.4679(9) 0.120(5) Uani 1 1 d G U . . .
H89 H 0.201136 0.976469 0.453921 0.144 Uiso 1 1 calc R U . . .
C84 C 0.2860(8) 0.9270(6) 0.4484(8) 0.113(5) Uani 1 1 d G U . . .
H84 H 0.268904 0.882591 0.421261 0.136 Uiso 1 1 calc R U . . .
C75 C 0.4623(6) 0.8654(7) 0.3932(7) 0.099(4) Uani 1 1 d G U . . .
C83 C 0.5079(7) 0.8137(6) 0.3730(8) 0.103(4) Uani 1 1 d G U . . .
H83 H 0.504615 0.777044 0.384432 0.124 Uiso 1 1 calc R U . . .
C82 C 0.5585(6) 0.8168(7) 0.3357(8) 0.117(5) Uani 1 1 d G U . . .
H82 H 0.589000 0.782192 0.322222 0.140 Uiso 1 1 calc R U . . .
C81 C 0.5634(6) 0.8716(8) 0.3187(7) 0.113(5) Uani 1 1 d G U . . .
H81 H 0.597248 0.873641 0.293757 0.136 Uiso 1 1 calc R U . . .
C77 C 0.5178(7) 0.9233(6) 0.3389(7) 0.107(4) Uani 1 1 d G U . . .
H77 H 0.521112 0.959943 0.327501 0.128 Uiso 1 1 calc R U . . .
C76 C 0.4672(6) 0.9202(6) 0.3762(7) 0.101(4) Uani 1 1 d G U . . .
H76 H 0.436726 0.954798 0.389710 0.121 Uiso 1 1 calc R U . . .
C224 C -0.064(2) 0.932(2) 0.294(2) 0.243(13) Uani 1 1 d . U . . .
H22A H -0.052262 0.912015 0.248501 0.365 Uiso 1 1 calc DR U . . .
H22B H -0.065062 0.981323 0.310251 0.365 Uiso 1 1 calc R U . . .
H22C H -0.105605 0.913418 0.296142 0.365 Uiso 1 1 calc R U . . .
C44 C -0.1972(15) 0.5366(16) 0.2537(16) 0.169(10) Uani 1 1 d . U . . .
H44A H -0.229203 0.525775 0.277558 0.253 Uiso 1 1 calc R U . . .
H44B H -0.191199 0.496447 0.213039 0.253 Uiso 1 1 calc R U . . .
H44C H -0.212004 0.573874 0.244098 0.253 Uiso 1 1 calc R U . . .
C16 C 0.3650(8) 0.8020(10) 0.1876(10) 0.144(6) Uani 1 1 d G U . . .
C15 C 0.4195(11) 0.7716(9) 0.2024(9) 0.144(6) Uani 1 1 d G U . . .
H15 H 0.415179 0.744545 0.224929 0.173 Uiso 1 1 calc R U . . .
C28 C 0.4806(9) 0.7818(10) 0.1834(10) 0.150(6) Uani 1 1 d G U . . .
H28 H 0.517052 0.761478 0.193316 0.180 Uiso 1 1 calc R U . . .
C19 C 0.4871(9) 0.8223(10) 0.1497(10) 0.156(6) Uani 1 1 d G U . . .
H19 H 0.527935 0.829056 0.137013 0.187 Uiso 1 1 calc R U . . .
C18 C 0.4326(12) 0.8526(9) 0.1349(9) 0.155(6) Uani 1 1 d G U . . .
H18 H 0.436947 0.879700 0.112322 0.186 Uiso 1 1 calc R U . . .
C17 C 0.3715(9) 0.8425(10) 0.1538(10) 0.156(6) Uani 1 1 d G U . . .
H17 H 0.335073 0.862768 0.143935 0.187 Uiso 1 1 calc R U . . .
C91 C 0.1950(13) 0.8830(11) 0.2821(12) 0.177(7) Uani 1 1 d G U . . .
H91 H 0.170108 0.842046 0.268203 0.213 Uiso 1 1 calc R U . . .
C31 C 0.2614(14) 0.8807(10) 0.2715(11) 0.167(7) Uani 1 1 d G U . . .
C35 C 0.2986(9) 0.9419(15) 0.2924(12) 0.170(7) Uani 1 1 d G U . . .
H35 H 0.342983 0.940343 0.285264 0.204 Uiso 1 1 calc R U . . .
C59 C 0.2696(13) 1.0055(11) 0.3238(11) 0.179(7) Uani 1 1 d G U . . .
H59 H 0.294501 1.046464 0.337751 0.215 Uiso 1 1 calc R U . . .
C90 C 0.2033(14) 1.0078(10) 0.3344(10) 0.179(7) Uani 1 1 d G U . . .
H90 H 0.183822 1.050378 0.355464 0.214 Uiso 1 1 calc R U . . .
C154 C 0.1660(9) 0.9466(15) 0.3136(12) 0.183(7) Uani 1 1 d G U . . .
H154 H 0.121625 0.948170 0.320690 0.220 Uiso 1 1 calc R U . . .
C64 C 0.2846(9) 0.9586(9) 0.6219(10) 0.135(5) Uani 1 1 d G U . . .
H64 H 0.315965 0.986622 0.615989 0.162 Uiso 1 1 calc R U . . .
C62 C 0.2305(10) 0.9881(6) 0.6571(9) 0.147(6) Uani 1 1 d G U . . .
H62 H 0.225676 1.035843 0.674722 0.176 Uiso 1 1 calc R U . . .
C216 C 0.1836(8) 0.9463(10) 0.6659(9) 0.154(6) Uani 1 1 d G U . . .
H216 H 0.147382 0.966054 0.689467 0.185 Uiso 1 1 calc R U . . .
C61 C 0.1908(8) 0.8750(9) 0.6396(9) 0.136(5) Uani 1 1 d G U . . .
H61 H 0.159375 0.847045 0.645476 0.163 Uiso 1 1 calc R U . . .
C58 C 0.2449(9) 0.8455(6) 0.6044(9) 0.116(5) Uani 1 1 d G U . . .
C57 C 0.2918(8) 0.8873(9) 0.5955(9) 0.120(5) Uani 1 1 d G U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.9816(9) . ?
Au01 Au03 2.8941(9) . ?
Au01 Au04 3.0366(11) . ?
Au01 Au05 2.8490(9) . ?
Au01 Au06 2.7733(10) . ?
Au01 Au09 2.9187(10) . ?
Au01 Au0A 2.8159(10) . ?
Au01 S00G 2.423(4) . ?
Au02 Au04 2.9403(9) . ?
Au02 Au05 2.8904(11) . ?
Au02 Au06 2.7552(9) . ?
Au02 Au07 2.8390(9) . ?
Au02 Au08 2.9085(10) . ?
Au02 P00I 2.288(4) . ?
Au03 Au04 2.9418(9) . ?
Au03 S00G 2.318(4) . ?
Au03 S00H 2.313(4) . ?
Au04 Au06 2.7808(10) . ?
Au04 Au08 2.8743(9) . ?
Au04 Au09 2.8853(11) . ?
Au04 Au0B 2.8543(10) . ?
Au04 S00H 2.408(4) . ?
Au05 Au06 2.7797(10) . ?
Au05 Au07 3.0136(11) . ?
Au05 Au0A 2.9254(9) . ?
Au05 Au0C 2.9116(10) . ?
Au05 P00J 2.292(4) . ?
Au06 Au07 2.7872(9) . ?
Au06 Au08 2.7920(13) . ?
Au06 Au09 2.7946(9) . ?
Au06 Au0A 2.7500(13) . ?
Au06 Au0B 2.7433(10) . ?
Au06 Au0C 2.7664(11) . ?
Au06 Au0E 2.7099(18) . ?
Au06 Au1 2.700(5) . ?
Au07 Au08 2.8547(11) . ?
Au07 Au0C 3.0272(13) . ?
Au07 Au0E 2.9269(18) . ?
Au07 Au0F 2.9031(13) . ?
Au07 S00N 2.417(4) . ?
Au07 Au2 2.833(5) . ?
Au08 Au0B 2.9118(12) . ?
Au08 Au0E 3.070(2) . ?
Au08 P00K 2.294(6) . ?
Au08 Au2 2.690(4) . ?
Au09 Au0A 2.9458(11) . ?
Au09 Au0B 2.8527(13) . ?
Au09 Au0D 3.0192(14) . ?
Au09 C00V 2.070(7) . ?
Au09 Au1 3.181(5) . ?
Au0A Au0C 2.8879(12) . ?
Au0A Au0D 2.7924(16) . ?
Au0A P00M 2.277(6) . ?
Au0A Au1 3.317(5) . ?
Au0B Au0D 3.0709(19) . ?
Au0B Au0E 2.9623(19) . ?
Au0B P00L 2.277(5) . ?
Au0B Au1 2.561(6) . ?
Au0B Au2 3.008(5) . ?
Au0C Au0D 2.8494(14) . ?
Au0C Au0E 2.775(2) . ?
Au0C Au0F 2.9296(12) . ?
Au0C S00P 2.407(5) . ?
Au0C Au1 2.961(5) . ?
Au0C Au2 3.290(5) . ?
Au0D Au0E 2.852(2) . ?
Au0D P00Q 2.272(6) . ?
Au0D Au1 0.727(4) . ?
Au0E Au1 2.280(4) . ?
Au0E Au2 0.651(3) . ?
Au0E C32 2.045(9) . ?
Au0F S00N 2.325(6) . ?
Au0F S00P 2.289(7) . ?
S00G C014 1.777(7) . ?
S00H C011 1.807(8) . ?
P00I C00Y 1.817(8) . ?
P00I C010 1.843(9) . ?
P00I C012 1.827(8) . ?
P00J C01M 1.796(10) . ?
P00J C52 1.846(11) . ?
P00J C58 1.804(13) . ?
P00K C2 1.834(11) . ?
P00K C7 1.823(11) . ?
P00K C45 1.761(15) . ?
P00L C6 1.854(11) . ?
P00L C132 1.817(13) . ?
P00L C68 1.762(12) . ?
P00M C028 1.869(12) . ?
P00M C85 1.824(12) . ?
P00M C75 1.826(11) . ?
S00N C14 1.736(13) . ?
Cl00 C017 1.741(8) . ?
S00P C37 1.69(2) . ?
P00Q Au1 2.555(9) . ?
P00Q C125 1.740(19) . ?
P00Q C16 1.836(17) . ?
P00Q C31 1.847(18) . ?
O00R C01I 1.339(14) . ?
O00R C1 1.338(13) . ?
O00T C01A 1.367(17) . ?
O00T C57 1.368(18) . ?
C00V C00X 1.3900 . ?
C00V C01G 1.3900 . ?
C00X H00X 0.9300 . ?
C00X C016 1.3900 . ?
C016 H016 0.9300 . ?
C016 C017 1.3900 . ?
C017 C01N 1.3900 . ?
C01N H01N 0.9300 . ?
C01N C01G 1.3900 . ?
C01G H01G 0.9300 . ?
O015 C147 1.33(2) . ?
O015 C5 1.372(16) . ?
C019 H019 0.9300 . ?
C019 C026 1.3900 . ?
C019 C00Y 1.3900 . ?
C026 H026 0.9300 . ?
C026 C01X 1.3900 . ?
C01X H01X 0.9300 . ?
C01X C01B 1.3900 . ?
C01B H01B 0.9300 . ?
C01B C00W 1.3900 . ?
C00W H00W 0.9300 . ?
C00W C00Y 1.3900 . ?
C01D C01Q 1.3900 . ?
C01D C01R 1.3900 . ?
C01D C022 1.53(2) . ?
C01Q H01Q 0.9300 . ?
C01Q C023 1.3900 . ?
C023 H023 0.9300 . ?
C023 C011 1.3900 . ?
C011 C00Z 1.3900 . ?
C00Z H00Z 0.9300 . ?
C00Z C01R 1.3900 . ?
C01R H01R 0.9300 . ?
C01I C010 1.3900 . ?
C01I C029 1.3900 . ?
C010 C01E 1.3900 . ?
C01E H01E 0.9300 . ?
C01E C024 1.3900 . ?
C024 H024 0.9300 . ?
C024 C02U 1.3900 . ?
C02U H02U 0.9300 . ?
C02U C029 1.3900 . ?
C029 H029 0.9300 . ?
C01S H01S 0.9300 . ?
C01S C014 1.3900 . ?
C01S C01Z 1.3900 . ?
C014 C013 1.3900 . ?
C013 H013 0.9300 . ?
C013 C01H 1.3900 . ?
C01H H01H 0.9300 . ?
C01H C01P 1.3900 . ?
C01P C01Z 1.3900 . ?
C01P C033 1.52(2) . ?
C01Z H01Z 0.9300 . ?
C01U H01U 0.9300 . ?
C01U C01C 1.3900 . ?
C01U C02Z 1.3900 . ?
C01C H01C 0.9300 . ?
C01C C01M 1.3900 . ?
C01M C020 1.3900 . ?
C020 H020 0.9300 . ?
C020 C032 1.3900 . ?
C032 H032 0.9300 . ?
C032 C02Z 1.3900 . ?
C02Z H02Z 0.9300 . ?
C021 H021 0.9300 . ?
C021 C50 1.3900 . ?
C021 C012 1.3900 . ?
C50 H50 0.9300 . ?
C50 C51 1.3900 . ?
C51 H51 0.9300 . ?
C51 C02C 1.3900 . ?
C02C H02C 0.9300 . ?
C02C C01J 1.3900 . ?
C01J H01J 0.9300 . ?
C01J C012 1.3900 . ?
C022 H02A 0.9600 . ?
C022 H02B 0.9600 . ?
C022 H02D 0.9600 . ?
C028 C01A 1.3900 . ?
C028 C02G 1.3900 . ?
C01A C01V 1.3900 . ?
C01V H01V 0.9300 . ?
C01V C01Y 1.3900 . ?
C01Y H01Y 0.9300 . ?
C01Y C02P 1.3900 . ?
C02P H02P 0.9300 . ?
C02P C02G 1.3900 . ?
C02G H02G 0.9300 . ?
C033 H03A 0.9600 . ?
C033 H03B 0.9600 . ?
C033 H03C 0.9600 . ?
Au1 Au2 2.828(5) . ?
Au2 C32 1.929(11) . ?
C2 C33 1.3900 . ?
C2 C4 1.3900 . ?
C33 H33 0.9300 . ?
C33 C60 1.3900 . ?
C60 H60 0.9300 . ?
C60 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C4 1.3900 . ?
C4 H4 0.9300 . ?
C23 H23 0.9300 . ?
C23 C39 1.3900 . ?
C23 C13 1.3900 . ?
C39 H39 0.9300 . ?
C39 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C1 1.3900 . ?
C1 C7 1.3900 . ?
C7 C13 1.3900 . ?
C13 H13 0.9300 . ?
C125 C147 1.3900 . ?
C125 C78 1.3900 . ?
C147 C56 1.3900 . ?
C56 H56 0.9300 . ?
C56 C38 1.3900 . ?
C38 H38 0.9300 . ?
C38 C70 1.3900 . ?
C70 H70 0.9300 . ?
C70 C78 1.3900 . ?
C78 H78 0.9300 . ?
C5 C6 1.3900 . ?
C5 C8 1.3900 . ?
C6 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C8 1.3900 . ?
C8 H8 0.9300 . ?
C175 H175 0.9300 . ?
C175 C141 1.3900 . ?
C175 C66 1.3900 . ?
C141 C22 1.3900 . ?
C141 C224 1.71(4) . ?
C22 H22 0.9300 . ?
C22 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C37 1.3900 . ?
C37 C66 1.3900 . ?
C66 H66 0.9300 . ?
C32 C36 1.3900 . ?
C32 C26 1.3900 . ?
C36 H36 0.9300 . ?
C36 C40 1.3900 . ?
C40 H40 0.9300 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C41 Cl1 1.810(15) . ?
C42 H42 0.9300 . ?
C42 C26 1.3900 . ?
C26 H26 0.9300 . ?
C43 H43 0.9300 . ?
C43 C24 1.3900 . ?
C43 C80 1.3900 . ?
C24 H24 0.9300 . ?
C24 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C132 1.3900 . ?
C132 C143 1.3900 . ?
C143 H143 0.9300 . ?
C143 C80 1.3900 . ?
C80 H80 0.9300 . ?
C63 H63 0.9300 . ?
C63 C47 1.3900 . ?
C63 C46 1.3900 . ?
C47 H47 0.9300 . ?
C47 C67 1.3900 . ?
C67 H67 0.9300 . ?
C67 C34 1.3900 . ?
C34 H34 0.9300 . ?
C34 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 H46 0.9300 . ?
C49 H49 0.9300 . ?
C49 C48 1.3900 . ?
C49 C14 1.3900 . ?
C48 H48 0.9300 . ?
C48 C30 1.3900 . ?
C30 C29 1.3900 . ?
C30 C44 1.57(3) . ?
C29 H29 0.9300 . ?
C29 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C14 1.3900 . ?
C53 H53 0.9300 . ?
C53 C79 1.3900 . ?
C53 C52 1.3900 . ?
C79 H79 0.9300 . ?
C79 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C54 1.3900 . ?
C54 H54 0.9300 . ?
C54 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C52 1.3900 . ?
C68 C74 1.3900 . ?
C68 C69 1.3900 . ?
C74 H74 0.9300 . ?
C74 C73 1.3900 . ?
C73 H73 0.9300 . ?
C73 C71 1.3900 . ?
C71 H71 0.9300 . ?
C71 C72 1.3900 . ?
C72 H72 0.9300 . ?
C72 C69 1.3900 . ?
C69 H69 0.9300 . ?
C85 C86 1.3900 . ?
C85 C84 1.3900 . ?
C86 H86 0.9300 . ?
C86 C87 1.3900 . ?
C87 H87 0.9300 . ?
C87 C88 1.3900 . ?
C88 H88 0.9300 . ?
C88 C89 1.3900 . ?
C89 H89 0.9300 . ?
C89 C84 1.3900 . ?
C84 H84 0.9300 . ?
C75 C83 1.3900 . ?
C75 C76 1.3900 . ?
C83 H83 0.9300 . ?
C83 C82 1.3900 . ?
C82 H82 0.9300 . ?
C82 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C77 1.3900 . ?
C77 H77 0.9300 . ?
C77 C76 1.3900 . ?
C76 H76 0.9300 . ?
C224 H22A 0.9600 . ?
C224 H22B 0.9600 . ?
C224 H22C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C16 C15 1.3900 . ?
C16 C17 1.3900 . ?
C15 H15 0.9300 . ?
C15 C28 1.3900 . ?
C28 H28 0.9300 . ?
C28 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C91 H91 0.9300 . ?
C91 C31 1.3900 . ?
C91 C154 1.3900 . ?
C31 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C59 1.3900 . ?
C59 H59 0.9300 . ?
C59 C90 1.3900 . ?
C90 H90 0.9300 . ?
C90 C154 1.3900 . ?
C154 H154 0.9300 . ?
C64 H64 0.9300 . ?
C64 C62 1.3900 . ?
C64 C57 1.3900 . ?
C62 H62 0.9300 . ?
C62 C216 1.3900 . ?
C216 H216 0.9300 . ?
C216 C61 1.3900 . ?
C61 H61 0.9300 . ?
C61 C58 1.3900 . ?
C58 C57 1.3900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au01 Au04 58.48(2) . . ?
Au03 Au01 Au02 82.59(3) . . ?
Au03 Au01 Au04 59.42(2) . . ?
Au03 Au01 Au09 94.97(3) . . ?
Au05 Au01 Au02 59.38(2) . . ?
Au05 Au01 Au03 138.17(3) . . ?
Au05 Au01 Au04 107.04(3) . . ?
Au05 Au01 Au09 110.85(3) . . ?
Au06 Au01 Au02 57.07(2) . . ?
Au06 Au01 Au03 115.63(3) . . ?
Au06 Au01 Au04 56.98(3) . . ?
Au06 Au01 Au05 59.24(2) . . ?
Au06 Au01 Au09 58.74(2) . . ?
Au06 Au01 Au0A 58.94(3) . . ?
Au09 Au01 Au02 105.97(3) . . ?
Au09 Au01 Au04 57.92(3) . . ?
Au0A Au01 Au02 108.10(3) . . ?
Au0A Au01 Au03 156.07(3) . . ?
Au0A Au01 Au04 107.21(3) . . ?
Au0A Au01 Au05 62.18(2) . . ?
Au0A Au01 Au09 61.79(3) . . ?
S00G Au01 Au02 113.50(9) . . ?
S00G Au01 Au03 50.75(10) . . ?
S00G Au01 Au04 109.92(10) . . ?
S00G Au01 Au05 127.21(10) . . ?
S00G Au01 Au06 166.09(10) . . ?
S00G Au01 Au09 120.39(10) . . ?
S00G Au01 Au0A 134.36(10) . . ?
Au04 Au02 Au01 61.69(2) . . ?
Au05 Au02 Au01 58.02(2) . . ?
Au05 Au02 Au04 108.56(3) . . ?
Au05 Au02 Au08 110.00(3) . . ?
Au06 Au02 Au01 57.66(2) . . ?
Au06 Au02 Au04 58.34(2) . . ?
Au06 Au02 Au05 58.93(3) . . ?
Au06 Au02 Au07 59.74(2) . . ?
Au06 Au02 Au08 59.00(3) . . ?
Au07 Au02 Au01 109.11(3) . . ?
Au07 Au02 Au04 107.74(3) . . ?
Au07 Au02 Au05 63.46(3) . . ?
Au07 Au02 Au08 59.55(3) . . ?
Au08 Au02 Au01 108.36(3) . . ?
Au08 Au02 Au04 58.87(2) . . ?
P00I Au02 Au01 121.81(10) . . ?
P00I Au02 Au04 118.63(10) . . ?
P00I Au02 Au05 123.70(11) . . ?
P00I Au02 Au06 176.95(11) . . ?
P00I Au02 Au07 122.36(10) . . ?
P00I Au02 Au08 119.62(11) . . ?
Au01 Au03 Au04 62.70(3) . . ?
S00G Au03 Au01 54.04(10) . . ?
S00G Au03 Au04 116.46(10) . . ?
S00H Au03 Au01 115.37(10) . . ?
S00H Au03 Au04 52.93(10) . . ?
S00H Au03 S00G 169.38(14) . . ?
Au02 Au04 Au01 59.82(2) . . ?
Au02 Au04 Au03 82.50(2) . . ?
Au03 Au04 Au01 57.88(2) . . ?
Au06 Au04 Au01 56.74(2) . . ?
Au06 Au04 Au02 57.50(2) . . ?
Au06 Au04 Au03 113.88(3) . . ?
Au06 Au04 Au08 59.14(3) . . ?
Au06 Au04 Au09 59.07(2) . . ?
Au06 Au04 Au0B 58.25(3) . . ?
Au08 Au04 Au01 107.78(3) . . ?
Au08 Au04 Au02 60.01(2) . . ?
Au08 Au04 Au03 139.81(3) . . ?
Au08 Au04 Au09 109.47(3) . . ?
Au09 Au04 Au01 58.99(3) . . ?
Au09 Au04 Au02 107.94(3) . . ?
Au09 Au04 Au03 94.66(3) . . ?
Au0B Au04 Au01 105.85(3) . . ?
Au0B Au04 Au02 107.72(3) . . ?
Au0B Au04 Au03 153.99(4) . . ?
Au0B Au04 Au08 61.10(3) . . ?
Au0B Au04 Au09 59.60(3) . . ?
S00H Au04 Au01 107.68(10) . . ?
S00H Au04 Au02 103.69(10) . . ?
S00H Au04 Au03 50.02(10) . . ?
S00H Au04 Au06 159.19(10) . . ?
S00H Au04 Au08 122.00(10) . . ?
S00H Au04 Au09 127.99(10) . . ?
S00H Au04 Au0B 142.32(10) . . ?
Au01 Au05 Au02 62.59(2) . . ?
Au01 Au05 Au07 107.95(3) . . ?
Au01 Au05 Au0A 58.36(2) . . ?
Au01 Au05 Au0C 107.29(3) . . ?
Au02 Au05 Au07 57.44(3) . . ?
Au02 Au05 Au0A 107.64(3) . . ?
Au02 Au05 Au0C 107.51(4) . . ?
Au06 Au05 Au01 59.02(2) . . ?
Au06 Au05 Au02 58.11(3) . . ?
Au06 Au05 Au07 57.35(2) . . ?
Au06 Au05 Au0A 57.57(3) . . ?
Au06 Au05 Au0C 58.11(3) . . ?
Au0A Au05 Au07 107.37(3) . . ?
Au0C Au05 Au07 61.42(3) . . ?
Au0C Au05 Au0A 59.31(3) . . ?
P00J Au05 Au01 123.40(12) . . ?
P00J Au05 Au02 125.17(12) . . ?
P00J Au05 Au06 176.31(12) . . ?
P00J Au05 Au07 122.18(11) . . ?
P00J Au05 Au0A 120.65(12) . . ?
P00J Au05 Au0C 118.25(12) . . ?
Au01 Au06 Au04 66.29(3) . . ?
Au01 Au06 Au05 61.74(3) . . ?
Au01 Au06 Au07 117.05(3) . . ?
Au01 Au06 Au08 118.23(3) . . ?
Au01 Au06 Au09 63.23(3) . . ?
Au02 Au06 Au01 65.27(2) . . ?
Au02 Au06 Au04 64.16(2) . . ?
Au02 Au06 Au05 62.96(3) . . ?
Au02 Au06 Au07 61.62(2) . . ?
Au02 Au06 Au08 63.24(3) . . ?
Au02 Au06 Au09 116.19(3) . . ?
Au02 Au06 Au0C 115.87(3) . . ?
Au04 Au06 Au07 113.95(4) . . ?
Au04 Au06 Au08 62.10(3) . . ?
Au04 Au06 Au09 62.33(3) . . ?
Au05 Au06 Au04 116.71(3) . . ?
Au05 Au06 Au07 65.55(3) . . ?
Au05 Au06 Au08 116.97(3) . . ?
Au05 Au06 Au09 116.85(4) . . ?
Au07 Au06 Au08 61.55(3) . . ?
Au07 Au06 Au09 176.06(4) . . ?
Au08 Au06 Au09 114.66(3) . . ?
Au0A Au06 Au01 61.30(3) . . ?
Au0A Au06 Au02 117.01(3) . . ?
Au0A Au06 Au04 116.89(3) . . ?
Au0A Au06 Au05 63.88(3) . . ?
Au0A Au06 Au07 119.61(3) . . ?
Au0A Au06 Au08 178.84(3) . . ?
Au0A Au06 Au09 64.18(3) . . ?
Au0A Au06 Au0C 63.14(3) . . ?
Au0B Au06 Au01 116.90(3) . . ?
Au0B Au06 Au02 116.67(4) . . ?
Au0B Au06 Au04 62.22(3) . . ?
Au0B Au06 Au05 178.64(3) . . ?
Au0B Au06 Au07 115.54(4) . . ?
Au0B Au06 Au08 63.47(3) . . ?
Au0B Au06 Au09 62.00(3) . . ?
Au0B Au06 Au0A 115.66(4) . . ?
Au0B Au06 Au0C 117.73(3) . . ?
Au0C Au06 Au01 113.76(4) . . ?
Au0C Au06 Au04 179.95(4) . . ?
Au0C Au06 Au05 63.33(3) . . ?
Au0C Au06 Au07 66.06(3) . . ?
Au0C Au06 Au08 117.88(4) . . ?
Au0C Au06 Au09 117.66(4) . . ?
Au0E Au06 Au01 173.91(5) . . ?
Au0E Au06 Au02 119.05(5) . . ?
Au0E Au06 Au04 119.08(5) . . ?
Au0E Au06 Au05 115.55(5) . . ?
Au0E Au06 Au07 64.32(4) . . ?
Au0E Au06 Au08 67.80(5) . . ?
Au0E Au06 Au09 115.85(4) . . ?
Au0E Au06 Au0A 112.68(5) . . ?
Au0E Au06 Au0B 65.81(4) . . ?
Au0E Au06 Au0C 60.87(5) . . ?
Au1 Au06 Au01 126.28(9) . . ?
Au1 Au06 Au02 167.65(9) . . ?
Au1 Au06 Au04 114.38(12) . . ?
Au1 Au06 Au05 124.50(12) . . ?
Au1 Au06 Au07 110.80(10) . . ?
Au1 Au06 Au08 104.84(9) . . ?
Au1 Au06 Au09 70.72(10) . . ?
Au1 Au06 Au0A 74.97(9) . . ?
Au1 Au06 Au0B 56.13(12) . . ?
Au1 Au06 Au0C 65.57(12) . . ?
Au1 Au06 Au0E 49.85(9) . . ?
Au02 Au07 Au05 59.10(2) . . ?
Au02 Au07 Au08 61.44(2) . . ?
Au02 Au07 Au0C 105.77(3) . . ?
Au02 Au07 Au0E 109.54(4) . . ?
Au02 Au07 Au0F 135.45(4) . . ?
Au05 Au07 Au0C 57.63(3) . . ?
Au06 Au07 Au02 58.63(2) . . ?
Au06 Au07 Au05 57.10(2) . . ?
Au06 Au07 Au08 59.31(3) . . ?
Au06 Au07 Au0C 56.64(3) . . ?
Au06 Au07 Au0E 56.56(4) . . ?
Au06 Au07 Au0F 114.72(4) . . ?
Au06 Au07 Au2 63.52(8) . . ?
Au08 Au07 Au05 108.05(3) . . ?
Au08 Au07 Au0C 108.06(3) . . ?
Au08 Au07 Au0E 64.12(4) . . ?
Au08 Au07 Au0F 158.96(4) . . ?
Au0E Au07 Au05 102.83(4) . . ?
Au0E Au07 Au0C 55.52(4) . . ?
Au0F Au07 Au05 80.09(3) . . ?
Au0F Au07 Au0C 59.16(3) . . ?
Au0F Au07 Au0E 95.42(5) . . ?
S00N Au07 Au02 125.30(14) . . ?
S00N Au07 Au05 110.28(13) . . ?
S00N Au07 Au06 164.45(14) . . ?
S00N Au07 Au08 136.22(14) . . ?
S00N Au07 Au0C 109.87(15) . . ?
S00N Au07 Au0E 124.68(14) . . ?
S00N Au07 Au0F 50.84(15) . . ?
S00N Au07 Au2 121.37(15) . . ?
Au2 Au07 Au02 109.74(9) . . ?
Au2 Au07 Au05 114.36(7) . . ?
Au2 Au07 Au08 56.45(10) . . ?
Au2 Au07 Au0C 68.22(8) . . ?
Au2 Au07 Au0E 12.85(7) . . ?
Au2 Au07 Au0F 102.52(10) . . ?
Au02 Au08 Au0B 107.04(3) . . ?
Au02 Au08 Au0E 103.95(5) . . ?
Au04 Au08 Au02 61.12(2) . . ?
Au04 Au08 Au0B 59.11(2) . . ?
Au04 Au08 Au0E 105.51(4) . . ?
Au06 Au08 Au02 57.76(3) . . ?
Au06 Au08 Au04 58.76(3) . . ?
Au06 Au08 Au07 59.14(3) . . ?
Au06 Au08 Au0B 57.45(3) . . ?
Au06 Au08 Au0E 54.83(4) . . ?
Au07 Au08 Au02 59.02(2) . . ?
Au07 Au08 Au04 109.14(3) . . ?
Au07 Au08 Au0B 108.45(4) . . ?
Au07 Au08 Au0E 59.08(4) . . ?
Au0B Au08 Au0E 59.30(4) . . ?
P00K Au08 Au02 122.42(15) . . ?
P00K Au08 Au04 118.24(13) . . ?
P00K Au08 Au06 176.80(12) . . ?
P00K Au08 Au07 123.94(12) . . ?
P00K Au08 Au0B 120.47(13) . . ?
P00K Au08 Au0E 126.88(15) . . ?
P00K Au08 Au2 116.51(17) . . ?
Au2 Au08 Au02 111.85(11) . . ?
Au2 Au08 Au04 115.20(8) . . ?
Au2 Au08 Au06 65.29(8) . . ?
Au2 Au08 Au07 61.37(11) . . ?
Au2 Au08 Au0B 64.80(9) . . ?
Au2 Au08 Au0E 10.57(8) . . ?
Au01 Au09 Au0A 57.39(2) . . ?
Au01 Au09 Au0D 104.04(3) . . ?
Au01 Au09 Au1 106.29(10) . . ?
Au04 Au09 Au01 63.09(2) . . ?
Au04 Au09 Au0A 107.84(3) . . ?
Au04 Au09 Au0D 109.54(4) . . ?
Au04 Au09 Au1 98.71(8) . . ?
Au06 Au09 Au01 58.03(2) . . ?
Au06 Au09 Au04 58.60(2) . . ?
Au06 Au09 Au0A 57.17(3) . . ?
Au06 Au09 Au0B 58.11(3) . . ?
Au06 Au09 Au0D 58.01(3) . . ?
Au06 Au09 Au1 53.25(9) . . ?
Au0A Au09 Au0D 55.81(3) . . ?
Au0A Au09 Au1 65.42(10) . . ?
Au0B Au09 Au01 109.09(3) . . ?
Au0B Au09 Au04 59.66(3) . . ?
Au0B Au09 Au0A 106.61(3) . . ?
Au0B Au09 Au0D 62.99(4) . . ?
Au0B Au09 Au1 49.87(9) . . ?
Au0D Au09 Au1 13.14(8) . . ?
C00V Au09 Au01 120.9(3) . . ?
C00V Au09 Au04 114.6(3) . . ?
C00V Au09 Au06 173.2(3) . . ?
C00V Au09 Au0A 128.8(3) . . ?
C00V Au09 Au0B 118.8(3) . . ?
C00V Au09 Au0D 127.2(3) . . ?
C00V Au09 Au1 130.5(3) . . ?
Au01 Au0A Au05 59.46(2) . . ?
Au01 Au0A Au09 60.82(2) . . ?
Au01 Au0A Au0C 108.86(3) . . ?
Au01 Au0A Au1 105.25(10) . . ?
Au05 Au0A Au09 107.97(3) . . ?
Au05 Au0A Au1 101.77(8) . . ?
Au06 Au0A Au01 59.76(3) . . ?
Au06 Au0A Au05 58.55(3) . . ?
Au06 Au0A Au09 58.64(3) . . ?
Au06 Au0A Au0C 58.71(3) . . ?
Au06 Au0A Au0D 61.30(4) . . ?
Au06 Au0A Au1 51.83(8) . . ?
Au09 Au0A Au1 60.70(10) . . ?
Au0C Au0A Au05 60.11(3) . . ?
Au0C Au0A Au09 109.30(4) . . ?
Au0C Au0A Au1 56.49(9) . . ?
Au0D Au0A Au01 113.14(5) . . ?
Au0D Au0A Au05 110.08(4) . . ?
Au0D Au0A Au09 63.43(4) . . ?
Au0D Au0A Au0C 60.19(4) . . ?
Au0D Au0A Au1 9.50(9) . . ?
P00M Au0A Au01 122.51(16) . . ?
P00M Au0A Au05 123.73(15) . . ?
P00M Au0A Au06 177.20(16) . . ?
P00M Au0A Au09 120.46(14) . . ?
P00M Au0A Au0C 120.44(14) . . ?
P00M Au0A Au0D 115.90(16) . . ?
P00M Au0A Au1 125.37(18) . . ?
Au04 Au0B Au08 59.79(2) . . ?
Au04 Au0B Au0D 108.94(4) . . ?
Au04 Au0B Au0E 108.91(4) . . ?
Au04 Au0B Au2 106.55(9) . . ?
Au06 Au0B Au04 59.54(2) . . ?
Au06 Au0B Au08 59.08(3) . . ?
Au06 Au0B Au09 59.88(3) . . ?
Au06 Au0B Au0D 57.83(3) . . ?
Au06 Au0B Au0E 56.55(4) . . ?
Au06 Au0B Au2 61.72(9) . . ?
Au08 Au0B Au0D 108.55(4) . . ?
Au08 Au0B Au0E 63.00(4) . . ?
Au08 Au0B Au2 54.04(7) . . ?
Au09 Au0B Au04 60.74(3) . . ?
Au09 Au0B Au08 109.33(3) . . ?
Au09 Au0B Au0D 61.15(4) . . ?
Au09 Au0B Au0E 106.65(5) . . ?
Au09 Au0B Au2 116.75(9) . . ?
Au0E Au0B Au0D 56.38(5) . . ?
Au0E Au0B Au2 12.49(7) . . ?
P00L Au0B Au04 122.92(16) . . ?
P00L Au0B Au06 177.54(16) . . ?
P00L Au0B Au08 121.57(19) . . ?
P00L Au0B Au09 120.99(14) . . ?
P00L Au0B Au0D 120.23(19) . . ?
P00L Au0B Au0E 121.30(13) . . ?
P00L Au0B Au1 116.7(2) . . ?
P00L Au0B Au2 116.47(15) . . ?
Au1 Au0B Au04 116.47(11) . . ?
Au1 Au0B Au06 61.08(11) . . ?
Au1 Au0B Au08 105.20(11) . . ?
Au1 Au0B Au09 71.73(10) . . ?
Au1 Au0B Au0D 10.61(9) . . ?
Au1 Au0B Au0E 48.08(10) . . ?
Au1 Au0B Au2 60.41(12) . . ?
Au2 Au0B Au0D 68.87(8) . . ?
Au05 Au0C Au07 60.95(3) . . ?
Au05 Au0C Au0F 81.37(3) . . ?
Au05 Au0C Au1 111.34(10) . . ?
Au05 Au0C Au2 104.66(8) . . ?
Au06 Au0C Au05 58.55(3) . . ?
Au06 Au0C Au07 57.30(3) . . ?
Au06 Au0C Au0A 58.15(3) . . ?
Au06 Au0C Au0D 60.40(3) . . ?
Au06 Au0C Au0E 58.56(4) . . ?
Au06 Au0C Au0F 114.53(4) . . ?
Au06 Au0C Au1 56.13(10) . . ?
Au06 Au0C Au2 57.71(8) . . ?
Au07 Au0C Au2 53.10(7) . . ?
Au0A Au0C Au05 60.58(3) . . ?
Au0A Au0C Au07 107.99(3) . . ?
Au0A Au0C Au0F 139.51(4) . . ?
Au0A Au0C Au1 69.08(8) . . ?
Au0A Au0C Au2 109.81(8) . . ?
Au0D Au0C Au05 108.88(4) . . ?
Au0D Au0C Au07 109.38(5) . . ?
Au0D Au0C Au0A 58.24(4) . . ?
Au0D Au0C Au0F 158.60(6) . . ?
Au0D Au0C Au1 14.21(6) . . ?
Au0D Au0C Au2 67.66(8) . . ?
Au0E Au0C Au05 109.49(5) . . ?
Au0E Au0C Au07 60.41(4) . . ?
Au0E Au0C Au0A 106.73(5) . . ?
Au0E Au0C Au0D 60.92(5) . . ?
Au0E Au0C Au0F 98.20(5) . . ?
Au0E Au0C Au1 46.71(8) . . ?
Au0E Au0C Au2 7.54(8) . . ?
Au0F Au0C Au07 58.31(3) . . ?
Au0F Au0C Au1 144.63(9) . . ?
Au0F Au0C Au2 91.83(8) . . ?
S00P Au0C Au05 102.61(17) . . ?
S00P Au0C Au06 159.40(16) . . ?
S00P Au0C Au07 107.83(16) . . ?
S00P Au0C Au0A 122.57(19) . . ?
S00P Au0C Au0D 139.55(16) . . ?
S00P Au0C Au0E 129.83(19) . . ?
S00P Au0C Au0F 49.62(16) . . ?
S00P Au0C Au1 144.42(19) . . ?
S00P Au0C Au2 127.6(2) . . ?
Au1 Au0C Au07 97.93(9) . . ?
Au1 Au0C Au2 53.48(10) . . ?
Au06 Au0D Au09 57.01(3) . . ?
Au06 Au0D Au0B 55.26(3) . . ?
Au06 Au0D Au0C 58.35(3) . . ?
Au06 Au0D Au0E 57.02(5) . . ?
Au09 Au0D Au0B 55.86(3) . . ?
Au0A Au0D Au06 58.61(3) . . ?
Au0A Au0D Au09 60.76(3) . . ?
Au0A Au0D Au0B 104.84(4) . . ?
Au0A Au0D Au0C 61.57(4) . . ?
Au0A Au0D Au0E 107.25(5) . . ?
Au0C Au0D Au09 108.32(4) . . ?
Au0C Au0D Au0B 105.55(5) . . ?
Au0C Au0D Au0E 58.24(5) . . ?
Au0E Au0D Au09 105.18(6) . . ?
Au0E Au0D Au0B 59.89(5) . . ?
P00Q Au0D Au06 177.2(3) . . ?
P00Q Au0D Au09 123.08(19) . . ?
P00Q Au0D Au0A 124.1(3) . . ?
P00Q Au0D Au0B 122.2(2) . . ?
P00Q Au0D Au0C 123.02(16) . . ?
P00Q Au0D Au0E 121.2(3) . . ?
Au1 Au0D Au06 72.7(4) . . ?
Au1 Au0D Au09 96.2(5) . . ?
Au1 Au0D Au0A 131.2(5) . . ?
Au1 Au0D Au0B 40.4(5) . . ?
Au1 Au0D Au0C 91.6(5) . . ?
Au1 Au0D Au0E 33.4(5) . . ?
Au1 Au0D P00Q 104.7(5) . . ?
Au06 Au0E Au07 59.12(4) . . ?
Au06 Au0E Au08 57.37(4) . . ?
Au06 Au0E Au0B 57.64(4) . . ?
Au06 Au0E Au0C 60.57(4) . . ?
Au06 Au0E Au0D 61.01(4) . . ?
Au07 Au0E Au08 56.80(4) . . ?
Au07 Au0E Au0B 105.20(6) . . ?
Au0B Au0E Au08 57.70(4) . . ?
Au0C Au0E Au07 64.07(4) . . ?
Au0C Au0E Au08 109.02(6) . . ?
Au0C Au0E Au0B 110.54(6) . . ?
Au0C Au0E Au0D 60.84(5) . . ?
Au0D Au0E Au07 112.20(6) . . ?
Au0D Au0E Au08 110.20(6) . . ?
Au0D Au0E Au0B 63.73(5) . . ?
Au1 Au0E Au06 64.85(13) . . ?
Au1 Au0E Au07 119.83(14) . . ?
Au1 Au0E Au08 108.01(15) . . ?
Au1 Au0E Au0B 56.71(15) . . ?
Au1 Au0E Au0C 70.94(14) . . ?
Au1 Au0E Au0D 10.11(14) . . ?
Au2 Au0E Au06 106.2(5) . . ?
Au2 Au0E Au07 75.4(5) . . ?
Au2 Au0E Au08 49.3(5) . . ?
Au2 Au0E Au0B 87.7(6) . . ?
Au2 Au0E Au0C 138.4(6) . . ?
Au2 Au0E Au0D 151.4(6) . . ?
Au2 Au0E Au1 143.2(6) . . ?
Au2 Au0E C32 70.6(8) . . ?
C32 Au0E Au06 173.7(7) . . ?
C32 Au0E Au07 114.5(7) . . ?
C32 Au0E Au08 119.8(6) . . ?
C32 Au0E Au0B 126.8(6) . . ?
C32 Au0E Au0C 117.9(5) . . ?
C32 Au0E Au0D 124.4(7) . . ?
C32 Au0E Au1 121.1(7) . . ?
Au07 Au0F Au0C 62.53(3) . . ?
S00N Au0F Au07 53.71(11) . . ?
S00N Au0F Au0C 116.09(11) . . ?
S00P Au0F Au07 115.64(14) . . ?
S00P Au0F Au0C 53.23(13) . . ?
S00P Au0F S00N 169.32(18) . . ?
Au03 S00G Au01 75.21(13) . . ?
C014 S00G Au01 110.2(4) . . ?
C014 S00G Au03 106.7(4) . . ?
Au03 S00H Au04 77.05(14) . . ?
C011 S00H Au03 99.3(4) . . ?
C011 S00H Au04 111.8(4) . . ?
C00Y P00I Au02 110.6(4) . . ?
C00Y P00I C010 107.7(5) . . ?
C00Y P00I C012 105.3(5) . . ?
C010 P00I Au02 115.0(4) . . ?
C012 P00I Au02 116.2(4) . . ?
C012 P00I C010 101.1(6) . . ?
C01M P00J Au05 116.0(4) . . ?
C01M P00J C52 105.0(7) . . ?
C01M P00J C58 98.8(7) . . ?
C52 P00J Au05 112.5(6) . . ?
C58 P00J Au05 115.4(6) . . ?
C58 P00J C52 107.7(9) . . ?
C2 P00K Au08 117.1(5) . . ?
C7 P00K Au08 116.3(5) . . ?
C7 P00K C2 98.6(7) . . ?
C45 P00K Au08 114.0(8) . . ?
C45 P00K C2 106.5(9) . . ?
C45 P00K C7 102.3(8) . . ?
C6 P00L Au0B 115.4(6) . . ?
C132 P00L Au0B 114.0(6) . . ?
C132 P00L C6 103.4(8) . . ?
C68 P00L Au0B 111.5(6) . . ?
C68 P00L C6 101.7(7) . . ?
C68 P00L C132 109.9(8) . . ?
C028 P00M Au0A 114.2(4) . . ?
C85 P00M Au0A 118.5(6) . . ?
C85 P00M C028 99.8(7) . . ?
C85 P00M C75 107.0(7) . . ?
C75 P00M Au0A 110.7(6) . . ?
C75 P00M C028 105.5(7) . . ?
Au0F S00N Au07 75.46(15) . . ?
C14 S00N Au07 111.4(7) . . ?
C14 S00N Au0F 107.3(7) . . ?
Au0F S00P Au0C 77.15(19) . . ?
C37 S00P Au0C 113.8(13) . . ?
C37 S00P Au0F 104.3(11) . . ?
Au0D P00Q Au1 15.98(11) . . ?
C125 P00Q Au0D 120.1(10) . . ?
C125 P00Q Au1 104.1(10) . . ?
C125 P00Q C16 95.5(11) . . ?
C125 P00Q C31 104.8(12) . . ?
C16 P00Q Au0D 116.4(8) . . ?
C16 P00Q Au1 121.3(8) . . ?
C16 P00Q C31 106.2(13) . . ?
C31 P00Q Au0D 111.8(8) . . ?
C31 P00Q Au1 120.4(9) . . ?
C1 O00R C01I 120.4(12) . . ?
C01A O00T C57 121.3(15) . . ?
C00X C00V Au09 118.9(5) . . ?
C00X C00V C01G 120.0 . . ?
C01G C00V Au09 121.1(5) . . ?
C00V C00X H00X 120.0 . . ?
C00V C00X C016 120.0 . . ?
C016 C00X H00X 120.0 . . ?
C00X C016 H016 120.0 . . ?
C00X C016 C017 120.0 . . ?
C017 C016 H016 120.0 . . ?
C016 C017 Cl00 118.3(6) . . ?
C01N C017 Cl00 121.7(6) . . ?
C01N C017 C016 120.0 . . ?
C017 C01N H01N 120.0 . . ?
C017 C01N C01G 120.0 . . ?
C01G C01N H01N 120.0 . . ?
C00V C01G H01G 120.0 . . ?
C01N C01G C00V 120.0 . . ?
C01N C01G H01G 120.0 . . ?
C147 O015 C5 118.9(16) . . ?
C026 C019 H019 120.0 . . ?
C026 C019 C00Y 120.0 . . ?
C00Y C019 H019 120.0 . . ?
C019 C026 H026 120.0 . . ?
C01X C026 C019 120.0 . . ?
C01X C026 H026 120.0 . . ?
C026 C01X H01X 120.0 . . ?
C026 C01X C01B 120.0 . . ?
C01B C01X H01X 120.0 . . ?
C01X C01B H01B 120.0 . . ?
C00W C01B C01X 120.0 . . ?
C00W C01B H01B 120.0 . . ?
C01B C00W H00W 120.0 . . ?
C01B C00W C00Y 120.0 . . ?
C00Y C00W H00W 120.0 . . ?
C019 C00Y P00I 120.3(6) . . ?
C00W C00Y P00I 119.4(6) . . ?
C00W C00Y C019 120.0 . . ?
C01Q C01D C01R 120.0 . . ?
C01Q C01D C022 116.5(11) . . ?
C01R C01D C022 123.5(11) . . ?
C01D C01Q H01Q 120.0 . . ?
C01D C01Q C023 120.0 . . ?
C023 C01Q H01Q 120.0 . . ?
C01Q C023 H023 120.0 . . ?
C011 C023 C01Q 120.0 . . ?
C011 C023 H023 120.0 . . ?
C023 C011 S00H 123.0(6) . . ?
C023 C011 C00Z 120.0 . . ?
C00Z C011 S00H 116.6(6) . . ?
C011 C00Z H00Z 120.0 . . ?
C01R C00Z C011 120.0 . . ?
C01R C00Z H00Z 120.0 . . ?
C01D C01R H01R 120.0 . . ?
C00Z C01R C01D 120.0 . . ?
C00Z C01R H01R 120.0 . . ?
O00R C01I C010 119.6(9) . . ?
O00R C01I C029 120.3(9) . . ?
C010 C01I C029 120.0 . . ?
C01I C010 P00I 116.2(6) . . ?
C01E C010 P00I 123.8(6) . . ?
C01E C010 C01I 120.0 . . ?
C010 C01E H01E 120.0 . . ?
C010 C01E C024 120.0 . . ?
C024 C01E H01E 120.0 . . ?
C01E C024 H024 120.0 . . ?
C01E C024 C02U 120.0 . . ?
C02U C024 H024 120.0 . . ?
C024 C02U H02U 120.0 . . ?
C029 C02U C024 120.0 . . ?
C029 C02U H02U 120.0 . . ?
C01I C029 H029 120.0 . . ?
C02U C029 C01I 120.0 . . ?
C02U C029 H029 120.0 . . ?
C014 C01S H01S 120.0 . . ?
C014 C01S C01Z 120.0 . . ?
C01Z C01S H01S 120.0 . . ?
C01S C014 S00G 117.4(6) . . ?
C01S C014 C013 120.0 . . ?
C013 C014 S00G 122.2(6) . . ?
C014 C013 H013 120.0 . . ?
C01H C013 C014 120.0 . . ?
C01H C013 H013 120.0 . . ?
C013 C01H H01H 120.0 . . ?
C01P C01H C013 120.0 . . ?
C01P C01H H01H 120.0 . . ?
C01H C01P C01Z 120.0 . . ?
C01H C01P C033 119.5(10) . . ?
C01Z C01P C033 120.5(10) . . ?
C01S C01Z H01Z 120.0 . . ?
C01P C01Z C01S 120.0 . . ?
C01P C01Z H01Z 120.0 . . ?
C01C C01U H01U 120.0 . . ?
C01C C01U C02Z 120.0 . . ?
C02Z C01U H01U 120.0 . . ?
C01U C01C H01C 120.0 . . ?
C01U C01C C01M 120.0 . . ?
C01M C01C H01C 120.0 . . ?
C01C C01M P00J 119.1(7) . . ?
C020 C01M P00J 120.8(7) . . ?
C020 C01M C01C 120.0 . . ?
C01M C020 H020 120.0 . . ?
C01M C020 C032 120.0 . . ?
C032 C020 H020 120.0 . . ?
C020 C032 H032 120.0 . . ?
C020 C032 C02Z 120.0 . . ?
C02Z C032 H032 120.0 . . ?
C01U C02Z H02Z 120.0 . . ?
C032 C02Z C01U 120.0 . . ?
C032 C02Z H02Z 120.0 . . ?
C50 C021 H021 120.0 . . ?
C50 C021 C012 120.0 . . ?
C012 C021 H021 120.0 . . ?
C021 C50 H50 120.0 . . ?
C51 C50 C021 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C02C C51 C50 120.0 . . ?
C02C C51 H51 120.0 . . ?
C51 C02C H02C 120.0 . . ?
C01J C02C C51 120.0 . . ?
C01J C02C H02C 120.0 . . ?
C02C C01J H01J 120.0 . . ?
C02C C01J C012 120.0 . . ?
C012 C01J H01J 120.0 . . ?
C021 C012 P00I 120.8(7) . . ?
C01J C012 P00I 119.2(7) . . ?
C01J C012 C021 120.0 . . ?
C01D C022 H02A 109.5 . . ?
C01D C022 H02B 109.5 . . ?
C01D C022 H02D 109.5 . . ?
H02A C022 H02B 109.5 . . ?
H02A C022 H02D 109.5 . . ?
H02B C022 H02D 109.5 . . ?
C01A C028 P00M 116.7(8) . . ?
C01A C028 C02G 120.0 . . ?
C02G C028 P00M 123.3(8) . . ?
O00T C01A C028 117.2(11) . . ?
O00T C01A C01V 122.4(11) . . ?
C028 C01A C01V 120.0 . . ?
C01A C01V H01V 120.0 . . ?
C01Y C01V C01A 120.0 . . ?
C01Y C01V H01V 120.0 . . ?
C01V C01Y H01Y 120.0 . . ?
C02P C01Y C01V 120.0 . . ?
C02P C01Y H01Y 120.0 . . ?
C01Y C02P H02P 120.0 . . ?
C01Y C02P C02G 120.0 . . ?
C02G C02P H02P 120.0 . . ?
C028 C02G H02G 120.0 . . ?
C02P C02G C028 120.0 . . ?
C02P C02G H02G 120.0 . . ?
C01P C033 H03A 109.5 . . ?
C01P C033 H03B 109.5 . . ?
C01P C033 H03C 109.5 . . ?
H03A C033 H03B 109.5 . . ?
H03A C033 H03C 109.5 . . ?
H03B C033 H03C 109.5 . . ?
Au06 Au1 Au09 56.03(10) . . ?
Au06 Au1 Au0A 53.20(9) . . ?
Au06 Au1 Au0C 58.30(10) . . ?
Au06 Au1 Au2 64.67(13) . . ?
Au09 Au1 Au0A 53.87(7) . . ?
Au0B Au1 Au06 62.79(12) . . ?
Au0B Au1 Au09 58.40(11) . . ?
Au0B Au1 Au0A 103.83(16) . . ?
Au0B Au1 Au0C 117.14(17) . . ?
Au0B Au1 Au2 67.64(14) . . ?
Au0C Au1 Au09 101.52(14) . . ?
Au0C Au1 Au0A 54.42(9) . . ?
Au0D Au1 Au06 92.4(5) . . ?
Au0D Au1 Au09 70.7(5) . . ?
Au0D Au1 Au0A 39.3(4) . . ?
Au0D Au1 Au0B 129.0(6) . . ?
Au0D Au1 Au0C 74.2(5) . . ?
Au0D Au1 Au0E 136.5(6) . . ?
Au0D Au1 P00Q 59.4(5) . . ?
Au0D Au1 Au2 143.1(6) . . ?
Au0E Au1 Au06 65.30(12) . . ?
Au0E Au1 Au09 116.38(19) . . ?
Au0E Au1 Au0A 107.12(18) . . ?
Au0E Au1 Au0B 75.21(14) . . ?
Au0E Au1 Au0C 62.35(13) . . ?
Au0E Au1 P00Q 135.2(3) . . ?
Au0E Au1 Au2 7.94(14) . . ?
P00Q Au1 Au06 151.8(3) . . ?
P00Q Au1 Au09 108.4(2) . . ?
P00Q Au1 Au0A 98.6(3) . . ?
P00Q Au1 Au0B 133.1(3) . . ?
P00Q Au1 Au0C 109.5(2) . . ?
P00Q Au1 Au2 138.8(3) . . ?
Au2 Au1 Au09 112.19(18) . . ?
Au2 Au1 Au0A 110.62(18) . . ?
Au2 Au1 Au0C 69.23(15) . . ?
Au06 Au2 Au0B 54.74(7) . . ?
Au06 Au2 Au0C 52.22(7) . . ?
Au07 Au2 Au06 57.48(9) . . ?
Au07 Au2 Au0B 106.41(13) . . ?
Au07 Au2 Au0C 58.69(10) . . ?
Au08 Au2 Au06 59.01(9) . . ?
Au08 Au2 Au07 62.17(9) . . ?
Au08 Au2 Au0B 61.16(10) . . ?
Au08 Au2 Au0C 105.09(14) . . ?
Au08 Au2 Au1 104.11(17) . . ?
Au0B Au2 Au0C 96.88(10) . . ?
Au0E Au2 Au06 61.6(5) . . ?
Au0E Au2 Au07 91.8(6) . . ?
Au0E Au2 Au08 120.2(5) . . ?
Au0E Au2 Au0B 79.8(5) . . ?
Au0E Au2 Au0C 34.0(5) . . ?
Au0E Au2 Au1 28.9(5) . . ?
Au0E Au2 C32 90.8(8) . . ?
Au1 Au2 Au06 55.57(12) . . ?
Au1 Au2 Au07 105.85(17) . . ?
Au1 Au2 Au0B 51.95(14) . . ?
Au1 Au2 Au0C 57.28(13) . . ?
C32 Au2 Au06 151.9(6) . . ?
C32 Au2 Au07 123.1(8) . . ?
C32 Au2 Au08 149.0(6) . . ?
C32 Au2 Au0B 129.9(8) . . ?
C32 Au2 Au0C 102.0(6) . . ?
C32 Au2 Au1 103.1(7) . . ?
C33 C2 P00K 120.0(8) . . ?
C33 C2 C4 120.0 . . ?
C4 C2 P00K 119.6(8) . . ?
C2 C33 H33 120.0 . . ?
C60 C33 C2 120.0 . . ?
C60 C33 H33 120.0 . . ?
C33 C60 H60 120.0 . . ?
C33 C60 C25 120.0 . . ?
C25 C60 H60 120.0 . . ?
C60 C25 H25 120.0 . . ?
C9 C25 C60 120.0 . . ?
C9 C25 H25 120.0 . . ?
C25 C9 H9 120.0 . . ?
C25 C9 C4 120.0 . . ?
C4 C9 H9 120.0 . . ?
C2 C4 H4 120.0 . . ?
C9 C4 C2 120.0 . . ?
C9 C4 H4 120.0 . . ?
C39 C23 H23 120.0 . . ?
C39 C23 C13 120.0 . . ?
C13 C23 H23 120.0 . . ?
C23 C39 H39 120.0 . . ?
C23 C39 C11 120.0 . . ?
C11 C39 H39 120.0 . . ?
C39 C11 H11 120.0 . . ?
C39 C11 C1 120.0 . . ?
C1 C11 H11 120.0 . . ?
O00R C1 C11 122.0(11) . . ?
O00R C1 C7 117.8(11) . . ?
C7 C1 C11 120.0 . . ?
C1 C7 P00K 115.6(8) . . ?
C1 C7 C13 120.0 . . ?
C13 C7 P00K 122.8(8) . . ?
C23 C13 H13 120.0 . . ?
C7 C13 C23 120.0 . . ?
C7 C13 H13 120.0 . . ?
C147 C125 P00Q 115.4(17) . . ?
C147 C125 C78 120.0 . . ?
C78 C125 P00Q 124.6(17) . . ?
O015 C147 C125 127(2) . . ?
O015 C147 C56 113(2) . . ?
C56 C147 C125 120.0 . . ?
C147 C56 H56 120.0 . . ?
C38 C56 C147 120.0 . . ?
C38 C56 H56 120.0 . . ?
C56 C38 H38 120.0 . . ?
C56 C38 C70 120.0 . . ?
C70 C38 H38 120.0 . . ?
C38 C70 H70 120.0 . . ?
C78 C70 C38 120.0 . . ?
C78 C70 H70 120.0 . . ?
C125 C78 H78 120.0 . . ?
C70 C78 C125 120.0 . . ?
C70 C78 H78 120.0 . . ?
O015 C5 C6 115.6(12) . . ?
O015 C5 C8 124.2(12) . . ?
C6 C5 C8 120.0 . . ?
C5 C6 P00L 117.3(8) . . ?
C5 C6 C3 120.0 . . ?
C3 C6 P00L 122.7(8) . . ?
C6 C3 H3 120.0 . . ?
C10 C3 C6 120.0 . . ?
C10 C3 H3 120.0 . . ?
C3 C10 H10 120.0 . . ?
C3 C10 C12 120.0 . . ?
C12 C10 H10 120.0 . . ?
C10 C12 H12 120.0 . . ?
C8 C12 C10 120.0 . . ?
C8 C12 H12 120.0 . . ?
C5 C8 H8 120.0 . . ?
C12 C8 C5 120.0 . . ?
C12 C8 H8 120.0 . . ?
C141 C175 H175 120.0 . . ?
C141 C175 C66 120.0 . . ?
C66 C175 H175 120.0 . . ?
C175 C141 C22 120.0 . . ?
C175 C141 C224 114(3) . . ?
C22 C141 C224 125(3) . . ?
C141 C22 H22 120.0 . . ?
C141 C22 C20 120.0 . . ?
C20 C22 H22 120.0 . . ?
C22 C20 H20 120.0 . . ?
C37 C20 C22 120.0 . . ?
C37 C20 H20 120.0 . . ?
C20 C37 S00P 120(2) . . ?
C20 C37 C66 120.0 . . ?
C66 C37 S00P 120(2) . . ?
C175 C66 H66 120.0 . . ?
C37 C66 C175 120.0 . . ?
C37 C66 H66 120.0 . . ?
Au2 C32 Au0E 18.57(13) . . ?
C36 C32 Au0E 111.6(15) . . ?
C36 C32 Au2 124.1(15) . . ?
C36 C32 C26 120.0 . . ?
C26 C32 Au0E 126.3(15) . . ?
C26 C32 Au2 115.9(15) . . ?
C32 C36 H36 120.0 . . ?
C40 C36 C32 120.0 . . ?
C40 C36 H36 120.0 . . ?
C36 C40 H40 120.0 . . ?
C36 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 Cl1 126.4(17) . . ?
C42 C41 C40 120.0 . . ?
C42 C41 Cl1 113.6(17) . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C26 120.0 . . ?
C26 C42 H42 120.0 . . ?
C32 C26 H26 120.0 . . ?
C42 C26 C32 120.0 . . ?
C42 C26 H26 120.0 . . ?
C24 C43 H43 120.0 . . ?
C24 C43 C80 120.0 . . ?
C80 C43 H43 120.0 . . ?
C43 C24 H24 120.0 . . ?
C27 C24 C43 120.0 . . ?
C27 C24 H24 120.0 . . ?
C24 C27 H27 120.0 . . ?
C132 C27 C24 120.0 . . ?
C132 C27 H27 120.0 . . ?
C27 C132 P00L 119.2(11) . . ?
C27 C132 C143 120.0 . . ?
C143 C132 P00L 120.4(11) . . ?
C132 C143 H143 120.0 . . ?
C132 C143 C80 120.0 . . ?
C80 C143 H143 120.0 . . ?
C43 C80 H80 120.0 . . ?
C143 C80 C43 120.0 . . ?
C143 C80 H80 120.0 . . ?
C47 C63 H63 120.0 . . ?
C47 C63 C46 120.0 . . ?
C46 C63 H63 120.0 . . ?
C63 C47 H47 120.0 . . ?
C67 C47 C63 120.0 . . ?
C67 C47 H47 120.0 . . ?
C47 C67 H67 120.0 . . ?
C34 C67 C47 120.0 . . ?
C34 C67 H67 120.0 . . ?
C67 C34 H34 120.0 . . ?
C67 C34 C45 120.0 . . ?
C45 C34 H34 120.0 . . ?
C34 C45 P00K 117.6(13) . . ?
C46 C45 P00K 122.2(13) . . ?
C46 C45 C34 120.0 . . ?
C63 C46 H46 120.0 . . ?
C45 C46 C63 120.0 . . ?
C45 C46 H46 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C14 120.0 . . ?
C14 C49 H49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C30 120.0 . . ?
C30 C48 H48 120.0 . . ?
C48 C30 C44 120.1(18) . . ?
C29 C30 C48 120.0 . . ?
C29 C30 C44 119.9(18) . . ?
C30 C29 H29 120.0 . . ?
C30 C29 C21 120.0 . . ?
C21 C29 H29 120.0 . . ?
C29 C21 H21 120.0 . . ?
C14 C21 C29 120.0 . . ?
C14 C21 H21 120.0 . . ?
C49 C14 S00N 119.7(12) . . ?
C21 C14 S00N 119.7(12) . . ?
C21 C14 C49 120.0 . . ?
C79 C53 H53 120.0 . . ?
C79 C53 C52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C79 H79 120.0 . . ?
C53 C79 C65 120.0 . . ?
C65 C79 H79 120.0 . . ?
C79 C65 H65 120.0 . . ?
C79 C65 C54 120.0 . . ?
C54 C65 H65 120.0 . . ?
C65 C54 H54 120.0 . . ?
C65 C54 C55 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C52 C55 C54 120.0 . . ?
C52 C55 H55 120.0 . . ?
C53 C52 P00J 121.1(10) . . ?
C55 C52 P00J 118.6(10) . . ?
C55 C52 C53 120.0 . . ?
C74 C68 P00L 119.7(9) . . ?
C74 C68 C69 120.0 . . ?
C69 C68 P00L 119.9(9) . . ?
C68 C74 H74 120.0 . . ?
C73 C74 C68 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C73 H73 120.0 . . ?
C74 C73 C71 120.0 . . ?
C71 C73 H73 120.0 . . ?
C73 C71 H71 120.0 . . ?
C73 C71 C72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C69 120.0 . . ?
C69 C72 H72 120.0 . . ?
C68 C69 H69 120.0 . . ?
C72 C69 C68 120.0 . . ?
C72 C69 H69 120.0 . . ?
C86 C85 P00M 124.0(10) . . ?
C86 C85 C84 120.0 . . ?
C84 C85 P00M 115.9(10) . . ?
C85 C86 H86 120.0 . . ?
C87 C86 C85 120.0 . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C88 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C87 C88 C89 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C84 C89 C88 120.0 . . ?
C84 C89 H89 120.0 . . ?
C85 C84 H84 120.0 . . ?
C89 C84 C85 120.0 . . ?
C89 C84 H84 120.0 . . ?
C83 C75 P00M 117.1(8) . . ?
C83 C75 C76 120.0 . . ?
C76 C75 P00M 122.9(8) . . ?
C75 C83 H83 120.0 . . ?
C75 C83 C82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C83 C82 H82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C77 C81 C82 120.0 . . ?
C77 C81 H81 120.0 . . ?
C81 C77 H77 120.0 . . ?
C81 C77 C76 120.0 . . ?
C76 C77 H77 120.0 . . ?
C75 C76 H76 120.0 . . ?
C77 C76 C75 120.0 . . ?
C77 C76 H76 120.0 . . ?
C141 C224 H22A 109.5 . . ?
C141 C224 H22B 109.5 . . ?
C141 C224 H22C 109.5 . . ?
H22A C224 H22B 109.5 . . ?
H22A C224 H22C 109.5 . . ?
H22B C224 H22C 109.5 . . ?
C30 C44 H44A 109.5 . . ?
C30 C44 H44B 109.5 . . ?
C30 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C15 C16 P00Q 119.0(14) . . ?
C15 C16 C17 120.0 . . ?
C17 C16 P00Q 120.9(14) . . ?
C16 C15 H15 120.0 . . ?
C28 C15 C16 120.0 . . ?
C28 C15 H15 120.0 . . ?
C15 C28 H28 120.0 . . ?
C19 C28 C15 120.0 . . ?
C19 C28 H28 120.0 . . ?
C28 C19 H19 120.0 . . ?
C28 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C31 C91 H91 120.0 . . ?
C31 C91 C154 120.0 . . ?
C154 C91 H91 120.0 . . ?
C91 C31 P00Q 112.2(18) . . ?
C35 C31 P00Q 127.0(18) . . ?
C35 C31 C91 120.0 . . ?
C31 C35 H35 120.0 . . ?
C59 C35 C31 120.0 . . ?
C59 C35 H35 120.0 . . ?
C35 C59 H59 120.0 . . ?
C90 C59 C35 120.0 . . ?
C90 C59 H59 120.0 . . ?
C59 C90 H90 120.0 . . ?
C154 C90 C59 120.0 . . ?
C154 C90 H90 120.0 . . ?
C91 C154 H154 120.0 . . ?
C90 C154 C91 120.0 . . ?
C90 C154 H154 120.0 . . ?
C62 C64 H64 120.0 . . ?
C62 C64 C57 120.0 . . ?
C57 C64 H64 120.0 . . ?
C64 C62 H62 120.0 . . ?
C64 C62 C216 120.0 . . ?
C216 C62 H62 120.0 . . ?
C62 C216 H216 120.0 . . ?
C62 C216 C61 120.0 . . ?
C61 C216 H216 120.0 . . ?
C216 C61 H61 120.0 . . ?
C58 C61 C216 120.0 . . ?
C58 C61 H61 120.0 . . ?
C61 C58 P00J 120.6(11) . . ?
C57 C58 P00J 119.2(11) . . ?
C57 C58 C61 120.0 . . ?
O00T C57 C64 123.8(14) . . ?
O00T C57 C58 116.0(14) . . ?
C58 C57 C64 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au01 S00G C014 C01S 72.2(6) . . . . ?
Au01 S00G C014 C013 -114.9(6) . . . . ?
Au02 P00I C00Y C019 112.2(5) . . . . ?
Au02 P00I C00Y C00W -61.0(6) . . . . ?
Au02 P00I C010 C01I -60.5(7) . . . . ?
Au02 P00I C010 C01E 119.9(6) . . . . ?
Au02 P00I C012 C021 0.2(8) . . . . ?
Au02 P00I C012 C01J -179.5(5) . . . . ?
Au03 S00G C014 C01S 152.2(5) . . . . ?
Au03 S00G C014 C013 -34.9(7) . . . . ?
Au03 S00H C011 C023 -46.5(6) . . . . ?
Au03 S00H C011 C00Z 126.2(5) . . . . ?
Au04 S00H C011 C023 33.1(7) . . . . ?
Au04 S00H C011 C00Z -154.2(5) . . . . ?
Au05 P00J C01M C01C -1.9(8) . . . . ?
Au05 P00J C01M C020 174.9(5) . . . . ?
Au05 P00J C52 C53 -171.9(8) . . . . ?
Au05 P00J C52 C55 14.1(11) . . . . ?
Au05 P00J C58 C61 124.2(9) . . . . ?
Au05 P00J C58 C57 -60.3(10) . . . . ?
Au06 Au0D Au1 Au09 -52.59(19) . . . . ?
Au06 Au0D Au1 Au0A 3.5(6) . . . . ?
Au06 Au0D Au1 Au0B -56.3(4) . . . . ?
Au06 Au0D Au1 Au0C 56.03(16) . . . . ?
Au06 Au0D Au1 Au0E 55.7(6) . . . . ?
Au06 Au0D Au1 P00Q -179.16(16) . . . . ?
Au06 Au0D Au1 Au2 48.9(8) . . . . ?
Au06 Au0E Au2 Au07 51.1(3) . . . . ?
Au06 Au0E Au2 Au08 -7.5(7) . . . . ?
Au06 Au0E Au2 Au0B -55.3(2) . . . . ?
Au06 Au0E Au2 Au0C 63.7(6) . . . . ?
Au06 Au0E Au2 Au1 -69.5(7) . . . . ?
Au06 Au0E Au2 C32 174.2(7) . . . . ?
Au07 Au0E Au2 Au06 -51.1(3) . . . . ?
Au07 Au0E Au2 Au08 -58.5(4) . . . . ?
Au07 Au0E Au2 Au0B -106.35(11) . . . . ?
Au07 Au0E Au2 Au0C 12.6(7) . . . . ?
Au07 Au0E Au2 Au1 -120.6(7) . . . . ?
Au07 Au0E Au2 C32 123.2(8) . . . . ?
Au07 S00N C14 C49 -109.2(10) . . . . ?
Au07 S00N C14 C21 79.0(10) . . . . ?
Au08 Au0E Au2 Au06 7.5(7) . . . . ?
Au08 Au0E Au2 Au07 58.5(4) . . . . ?
Au08 Au0E Au2 Au0B -47.8(5) . . . . ?
Au08 Au0E Au2 Au0C 71.2(9) . . . . ?
Au08 Au0E Au2 Au1 -62.1(11) . . . . ?
Au08 Au0E Au2 C32 -178.3(9) . . . . ?
Au08 P00K C2 C33 165.8(6) . . . . ?
Au08 P00K C2 C4 -6.7(10) . . . . ?
Au08 P00K C7 C1 -64.8(8) . . . . ?
Au08 P00K C7 C13 129.6(7) . . . . ?
Au08 P00K C45 C34 -47.8(12) . . . . ?
Au08 P00K C45 C46 136.9(9) . . . . ?
Au09 Au0D Au1 Au06 52.59(19) . . . . ?
Au09 Au0D Au1 Au0A 56.1(4) . . . . ?
Au09 Au0D Au1 Au0B -3.7(6) . . . . ?
Au09 Au0D Au1 Au0C 108.62(8) . . . . ?
Au09 Au0D Au1 Au0E 108.3(7) . . . . ?
Au09 Au0D Au1 P00Q -126.6(3) . . . . ?
Au09 Au0D Au1 Au2 101.5(8) . . . . ?
Au09 C00V C00X C016 179.7(7) . . . . ?
Au09 C00V C01G C01N -179.7(7) . . . . ?
Au0A Au0D Au1 Au06 -3.5(6) . . . . ?
Au0A Au0D Au1 Au09 -56.1(4) . . . . ?
Au0A Au0D Au1 Au0B -59.8(8) . . . . ?
Au0A Au0D Au1 Au0C 52.5(4) . . . . ?
Au0A Au0D Au1 Au0E 52.3(11) . . . . ?
Au0A Au0D Au1 P00Q 177.4(6) . . . . ?
Au0A Au0D Au1 Au2 45.5(12) . . . . ?
Au0A P00M C028 C01A -59.6(7) . . . . ?
Au0A P00M C028 C02G 121.9(6) . . . . ?
Au0A P00M C85 C86 169.0(7) . . . . ?
Au0A P00M C85 C84 -7.3(10) . . . . ?
Au0A P00M C75 C83 -54.8(9) . . . . ?
Au0A P00M C75 C76 127.3(7) . . . . ?
Au0B Au0D Au1 Au06 56.3(4) . . . . ?
Au0B Au0D Au1 Au09 3.7(6) . . . . ?
Au0B Au0D Au1 Au0A 59.8(8) . . . . ?
Au0B Au0D Au1 Au0C 112.4(5) . . . . ?
Au0B Au0D Au1 Au0E 112.1(10) . . . . ?
Au0B Au0D Au1 P00Q -122.8(5) . . . . ?
Au0B Au0D Au1 Au2 105.3(11) . . . . ?
Au0B Au0E Au2 Au06 55.3(2) . . . . ?
Au0B Au0E Au2 Au07 106.35(11) . . . . ?
Au0B Au0E Au2 Au08 47.8(5) . . . . ?
Au0B Au0E Au2 Au0C 119.0(6) . . . . ?
Au0B Au0E Au2 Au1 -14.2(8) . . . . ?
Au0B Au0E Au2 C32 -130.5(7) . . . . ?
Au0B P00L C6 C5 -54.9(8) . . . . ?
Au0B P00L C6 C3 126.4(8) . . . . ?
Au0B P00L C132 C27 -23.7(11) . . . . ?
Au0B P00L C132 C143 163.5(7) . . . . ?
Au0B P00L C68 C74 -47.1(9) . . . . ?
Au0B P00L C68 C69 140.1(7) . . . . ?
Au0C Au0D Au1 Au06 -56.03(16) . . . . ?
Au0C Au0D Au1 Au09 -108.62(8) . . . . ?
Au0C Au0D Au1 Au0A -52.5(4) . . . . ?
Au0C Au0D Au1 Au0B -112.4(5) . . . . ?
Au0C Au0D Au1 Au0E -0.3(7) . . . . ?
Au0C Au0D Au1 P00Q 124.8(2) . . . . ?
Au0C Au0D Au1 Au2 -7.1(9) . . . . ?
Au0C Au0E Au2 Au06 -63.7(6) . . . . ?
Au0C Au0E Au2 Au07 -12.6(7) . . . . ?
Au0C Au0E Au2 Au08 -71.2(9) . . . . ?
Au0C Au0E Au2 Au0B -119.0(6) . . . . ?
Au0C Au0E Au2 Au1 -133.2(13) . . . . ?
Au0C Au0E Au2 C32 110.5(9) . . . . ?
Au0C S00P C37 C20 -152.3(12) . . . . ?
Au0C S00P C37 C66 22.4(18) . . . . ?
Au0D Au0E Au2 Au06 58.6(9) . . . . ?
Au0D Au0E Au2 Au07 109.7(10) . . . . ?
Au0D Au0E Au2 Au08 51.2(14) . . . . ?
Au0D Au0E Au2 Au0B 3.3(10) . . . . ?
Au0D Au0E Au2 Au0C 122.3(14) . . . . ?
Au0D Au0E Au2 Au1 -10.9(4) . . . . ?
Au0D Au0E Au2 C32 -127.1(12) . . . . ?
Au0D P00Q C125 C147 -50.5(14) . . . . ?
Au0D P00Q C125 C78 127.9(12) . . . . ?
Au0D P00Q C16 C15 -5.5(14) . . . . ?
Au0D P00Q C16 C17 178.3(8) . . . . ?
Au0D P00Q C31 C91 -69.7(11) . . . . ?
Au0D P00Q C31 C35 120.2(12) . . . . ?
Au0E Au0D Au1 Au06 -55.7(6) . . . . ?
Au0E Au0D Au1 Au09 -108.3(7) . . . . ?
Au0E Au0D Au1 Au0A -52.3(11) . . . . ?
Au0E Au0D Au1 Au0B -112.1(10) . . . . ?
Au0E Au0D Au1 Au0C 0.3(7) . . . . ?
Au0E Au0D Au1 P00Q 125.1(6) . . . . ?
Au0E Au0D Au1 Au2 -6.8(3) . . . . ?
Au0E C32 C36 C40 -164.4(12) . . . . ?
Au0E C32 C26 C42 161.9(14) . . . . ?
Au0F S00N C14 C49 -28.4(11) . . . . ?
Au0F S00N C14 C21 159.8(8) . . . . ?
Au0F S00P C37 C20 125.6(13) . . . . ?
Au0F S00P C37 C66 -59.7(15) . . . . ?
S00G C014 C013 C01H -172.7(9) . . . . ?
S00H C011 C00Z C01R -172.9(8) . . . . ?
P00I C010 C01E C024 179.6(9) . . . . ?
P00J C01M C020 C032 -176.8(9) . . . . ?
P00J C58 C57 O00T 9.0(16) . . . . ?
P00J C58 C57 C64 -175.5(13) . . . . ?
P00K C2 C33 C60 -172.4(11) . . . . ?
P00K C2 C4 C9 172.5(11) . . . . ?
P00K C7 C13 C23 165.0(11) . . . . ?
P00K C45 C46 C63 175.1(15) . . . . ?
P00L C6 C3 C10 178.7(11) . . . . ?
P00L C132 C143 C80 172.7(13) . . . . ?
P00L C68 C74 C73 -172.8(11) . . . . ?
P00L C68 C69 C72 172.8(11) . . . . ?
P00M C028 C01A O00T 8.5(10) . . . . ?
P00M C028 C01A C01V -178.6(9) . . . . ?
P00M C028 C02G C02P 178.5(9) . . . . ?
P00M C85 C86 C87 -176.2(12) . . . . ?
P00M C85 C84 C89 176.5(12) . . . . ?
P00M C75 C83 C82 -177.9(12) . . . . ?
P00M C75 C76 C77 177.8(12) . . . . ?
Cl00 C017 C01N C01G 178.5(9) . . . . ?
S00P C37 C66 C175 -175(2) . . . . ?
P00Q Au0D Au1 Au06 179.16(16) . . . . ?
P00Q Au0D Au1 Au09 126.6(3) . . . . ?
P00Q Au0D Au1 Au0A -177.4(6) . . . . ?
P00Q Au0D Au1 Au0B 122.8(5) . . . . ?
P00Q Au0D Au1 Au0C -124.8(2) . . . . ?
P00Q Au0D Au1 Au0E -125.1(6) . . . . ?
P00Q Au0D Au1 Au2 -131.9(8) . . . . ?
P00Q C125 C147 O015 7(2) . . . . ?
P00Q C125 C147 C56 178.5(17) . . . . ?
P00Q C125 C78 C70 -178.3(19) . . . . ?
P00Q C16 C15 C28 -176.2(15) . . . . ?
P00Q C16 C17 C18 176.2(15) . . . . ?
P00Q C31 C35 C59 169.4(17) . . . . ?
O00R C01I C010 P00I 4.0(11) . . . . ?
O00R C01I C010 C01E -176.4(12) . . . . ?
O00R C01I C029 C02U 176.4(12) . . . . ?
O00R C1 C7 P00K 19.7(12) . . . . ?
O00R C1 C7 C13 -174.3(13) . . . . ?
O00T C01A C01V C01Y 172.5(12) . . . . ?
C00V C00X C016 C017 0.0 . . . . ?
C00X C00V C01G C01N 0.0 . . . . ?
C00X C016 C017 Cl00 -178.5(9) . . . . ?
C00X C016 C017 C01N 0.0 . . . . ?
C016 C017 C01N C01G 0.0 . . . . ?
C017 C01N C01G C00V 0.0 . . . . ?
C01G C00V C00X C016 0.0 . . . . ?
O015 C147 C56 C38 172(2) . . . . ?
O015 C5 C6 P00L -3.8(13) . . . . ?
O015 C5 C6 C3 175.0(15) . . . . ?
O015 C5 C8 C12 -174.5(17) . . . . ?
C019 C026 C01X C01B 0.0 . . . . ?
C026 C019 C00Y P00I -173.2(7) . . . . ?
C026 C019 C00Y C00W 0.0 . . . . ?
C026 C01X C01B C00W 0.0 . . . . ?
C01X C01B C00W C00Y 0.0 . . . . ?
C01B C00W C00Y P00I 173.3(7) . . . . ?
C01B C00W C00Y C019 0.0 . . . . ?
C00Y P00I C010 C01I 175.6(6) . . . . ?
C00Y P00I C010 C01E -3.9(9) . . . . ?
C00Y P00I C012 C021 123.0(7) . . . . ?
C00Y P00I C012 C01J -56.7(8) . . . . ?
C00Y C019 C026 C01X 0.0 . . . . ?
C01D C01Q C023 C011 0.0 . . . . ?
C01Q C01D C01R C00Z 0.0 . . . . ?
C01Q C023 C011 S00H 172.4(9) . . . . ?
C01Q C023 C011 C00Z 0.0 . . . . ?
C023 C011 C00Z C01R 0.0 . . . . ?
C011 C00Z C01R C01D 0.0 . . . . ?
C01R C01D C01Q C023 0.0 . . . . ?
C01I O00R C1 C11 27.4(17) . . . . ?
C01I O00R C1 C7 -158.4(10) . . . . ?
C01I C010 C01E C024 0.0 . . . . ?
C010 P00I C00Y C019 -121.3(6) . . . . ?
C010 P00I C00Y C00W 65.4(7) . . . . ?
C010 P00I C012 C021 -125.0(7) . . . . ?
C010 P00I C012 C01J 55.3(8) . . . . ?
C010 C01I C029 C02U 0.0 . . . . ?
C010 C01E C024 C02U 0.0 . . . . ?
C01E C024 C02U C029 0.0 . . . . ?
C024 C02U C029 C01I 0.0 . . . . ?
C029 C01I C010 P00I -179.6(8) . . . . ?
C029 C01I C010 C01E 0.0 . . . . ?
C01S C014 C013 C01H 0.0 . . . . ?
C014 C01S C01Z C01P 0.0 . . . . ?
C014 C013 C01H C01P 0.0 . . . . ?
C013 C01H C01P C01Z 0.0 . . . . ?
C013 C01H C01P C033 -179.6(15) . . . . ?
C01H C01P C01Z C01S 0.0 . . . . ?
C01Z C01S C014 S00G 173.0(8) . . . . ?
C01Z C01S C014 C013 0.0 . . . . ?
C01U C01C C01M P00J 176.9(8) . . . . ?
C01U C01C C01M C020 0.0 . . . . ?
C01C C01U C02Z C032 0.0 . . . . ?
C01C C01M C020 C032 0.0 . . . . ?
C01M P00J C52 C53 61.0(11) . . . . ?
C01M P00J C52 C55 -113.0(10) . . . . ?
C01M P00J C58 C61 -111.4(10) . . . . ?
C01M P00J C58 C57 64.2(10) . . . . ?
C01M C020 C032 C02Z 0.0 . . . . ?
C020 C032 C02Z C01U 0.0 . . . . ?
C02Z C01U C01C C01M 0.0 . . . . ?
C021 C50 C51 C02C 0.0 . . . . ?
C50 C021 C012 P00I -179.7(9) . . . . ?
C50 C021 C012 C01J 0.0 . . . . ?
C50 C51 C02C C01J 0.0 . . . . ?
C51 C02C C01J C012 0.0 . . . . ?
C02C C01J C012 P00I 179.7(9) . . . . ?
C02C C01J C012 C021 0.0 . . . . ?
C012 P00I C00Y C019 -14.1(7) . . . . ?
C012 P00I C00Y C00W 172.7(6) . . . . ?
C012 P00I C010 C01I 65.5(7) . . . . ?
C012 P00I C010 C01E -114.1(8) . . . . ?
C012 C021 C50 C51 0.0 . . . . ?
C022 C01D C01Q C023 -178.6(13) . . . . ?
C022 C01D C01R C00Z 178.5(14) . . . . ?
C028 P00M C85 C86 44.6(10) . . . . ?
C028 P00M C85 C84 -131.8(9) . . . . ?
C028 P00M C75 C83 69.2(9) . . . . ?
C028 P00M C75 C76 -108.7(9) . . . . ?
C028 C01A C01V C01Y 0.0 . . . . ?
C01A O00T C57 C64 50(2) . . . . ?
C01A O00T C57 C58 -134.9(12) . . . . ?
C01A C028 C02G C02P 0.0 . . . . ?
C01A C01V C01Y C02P 0.0 . . . . ?
C01V C01Y C02P C02G 0.0 . . . . ?
C01Y C02P C02G C028 0.0 . . . . ?
C02G C028 C01A O00T -172.9(11) . . . . ?
C02G C028 C01A C01V 0.0 . . . . ?
C033 C01P C01Z C01S 179.6(15) . . . . ?
Au1 Au0E Au2 Au06 69.5(7) . . . . ?
Au1 Au0E Au2 Au07 120.6(7) . . . . ?
Au1 Au0E Au2 Au08 62.1(11) . . . . ?
Au1 Au0E Au2 Au0B 14.2(8) . . . . ?
Au1 Au0E Au2 Au0C 133.2(13) . . . . ?
Au1 Au0E Au2 C32 -116.2(10) . . . . ?
Au1 P00Q C125 C147 -49.9(12) . . . . ?
Au1 P00Q C125 C78 128.5(13) . . . . ?
Au1 P00Q C16 C15 -22.9(14) . . . . ?
Au1 P00Q C16 C17 160.9(8) . . . . ?
Au1 P00Q C31 C91 -54.7(12) . . . . ?
Au1 P00Q C31 C35 135.2(11) . . . . ?
Au2 C32 C36 C40 -179.9(14) . . . . ?
Au2 C32 C26 C42 179.9(13) . . . . ?
C2 P00K C7 C1 61.3(8) . . . . ?
C2 P00K C7 C13 -104.3(9) . . . . ?
C2 P00K C45 C34 -178.5(10) . . . . ?
C2 P00K C45 C46 6.2(13) . . . . ?
C2 C33 C60 C25 0.0 . . . . ?
C33 C2 C4 C9 0.0 . . . . ?
C33 C60 C25 C9 0.0 . . . . ?
C60 C25 C9 C4 0.0 . . . . ?
C25 C9 C4 C2 0.0 . . . . ?
C4 C2 C33 C60 0.0 . . . . ?
C23 C39 C11 C1 0.0 . . . . ?
C39 C23 C13 C7 0.0 . . . . ?
C39 C11 C1 O00R 174.0(14) . . . . ?
C39 C11 C1 C7 0.0 . . . . ?
C11 C1 C7 P00K -166.0(10) . . . . ?
C11 C1 C7 C13 0.0 . . . . ?
C1 O00R C01I C010 -123.5(12) . . . . ?
C1 O00R C01I C029 60.1(15) . . . . ?
C1 C7 C13 C23 0.0 . . . . ?
C7 P00K C2 C33 40.3(9) . . . . ?
C7 P00K C2 C4 -132.2(8) . . . . ?
C7 P00K C45 C34 78.5(11) . . . . ?
C7 P00K C45 C46 -96.7(12) . . . . ?
C13 C23 C39 C11 0.0 . . . . ?
C125 P00Q C16 C15 -133.1(13) . . . . ?
C125 P00Q C16 C17 50.6(14) . . . . ?
C125 P00Q C31 C91 61.9(14) . . . . ?
C125 P00Q C31 C35 -108.2(16) . . . . ?
C125 C147 C56 C38 0.0 . . . . ?
C147 O015 C5 C6 -149.7(19) . . . . ?
C147 O015 C5 C8 25(3) . . . . ?
C147 C125 C78 C70 0.0 . . . . ?
C147 C56 C38 C70 0.0 . . . . ?
C56 C38 C70 C78 0.0 . . . . ?
C38 C70 C78 C125 0.0 . . . . ?
C78 C125 C147 O015 -171(2) . . . . ?
C78 C125 C147 C56 0.0 . . . . ?
C5 O015 C147 C125 -116.9(19) . . . . ?
C5 O015 C147 C56 71(2) . . . . ?
C5 C6 C3 C10 0.0 . . . . ?
C6 P00L C132 C27 -149.8(9) . . . . ?
C6 P00L C132 C143 37.4(11) . . . . ?
C6 P00L C68 C74 76.4(10) . . . . ?
C6 P00L C68 C69 -96.4(9) . . . . ?
C6 C5 C8 C12 0.0 . . . . ?
C6 C3 C10 C12 0.0 . . . . ?
C3 C10 C12 C8 0.0 . . . . ?
C10 C12 C8 C5 0.0 . . . . ?
C8 C5 C6 P00L -178.8(10) . . . . ?
C8 C5 C6 C3 0.0 . . . . ?
C175 C141 C22 C20 0.0 . . . . ?
C141 C175 C66 C37 0.0 . . . . ?
C141 C22 C20 C37 0.0 . . . . ?
C22 C20 C37 S00P 175(2) . . . . ?
C22 C20 C37 C66 0.0 . . . . ?
C20 C37 C66 C175 0.0 . . . . ?
C66 C175 C141 C22 0.0 . . . . ?
C66 C175 C141 C224 -174(3) . . . . ?
C32 Au0E Au2 Au06 -174.2(7) . . . . ?
C32 Au0E Au2 Au07 -123.2(8) . . . . ?
C32 Au0E Au2 Au08 178.3(9) . . . . ?
C32 Au0E Au2 Au0B 130.5(7) . . . . ?
C32 Au0E Au2 Au0C -110.5(9) . . . . ?
C32 Au0E Au2 Au1 116.2(10) . . . . ?
C32 C36 C40 C41 0.0 . . . . ?
C36 C32 C26 C42 0.0 . . . . ?
C36 C40 C41 C42 0.0 . . . . ?
C36 C40 C41 Cl1 178.4(17) . . . . ?
C40 C41 C42 C26 0.0 . . . . ?
C41 C42 C26 C32 0.0 . . . . ?
C26 C32 C36 C40 0.0 . . . . ?
Cl1 C41 C42 C26 -178.6(15) . . . . ?
C43 C24 C27 C132 0.0 . . . . ?
C24 C43 C80 C143 0.0 . . . . ?
C24 C27 C132 P00L -172.8(12) . . . . ?
C24 C27 C132 C143 0.0 . . . . ?
C27 C132 C143 C80 0.0 . . . . ?
C132 P00L C6 C5 70.3(9) . . . . ?
C132 P00L C6 C3 -108.4(10) . . . . ?
C132 P00L C68 C74 -174.5(9) . . . . ?
C132 P00L C68 C69 12.7(11) . . . . ?
C132 C143 C80 C43 0.0 . . . . ?
C80 C43 C24 C27 0.0 . . . . ?
C63 C47 C67 C34 0.0 . . . . ?
C47 C63 C46 C45 0.0 . . . . ?
C47 C67 C34 C45 0.0 . . . . ?
C67 C34 C45 P00K -175.3(14) . . . . ?
C67 C34 C45 C46 0.0 . . . . ?
C34 C45 C46 C63 0.0 . . . . ?
C45 P00K C2 C33 -65.3(11) . . . . ?
C45 P00K C2 C4 122.2(10) . . . . ?
C45 P00K C7 C1 170.4(9) . . . . ?
C45 P00K C7 C13 4.8(12) . . . . ?
C46 C63 C47 C67 0.0 . . . . ?
C49 C48 C30 C29 0.0 . . . . ?
C49 C48 C30 C44 -179(2) . . . . ?
C48 C49 C14 S00N -171.8(15) . . . . ?
C48 C49 C14 C21 0.0 . . . . ?
C48 C30 C29 C21 0.0 . . . . ?
C30 C29 C21 C14 0.0 . . . . ?
C29 C21 C14 S00N 171.8(15) . . . . ?
C29 C21 C14 C49 0.0 . . . . ?
C14 C49 C48 C30 0.0 . . . . ?
C53 C79 C65 C54 0.0 . . . . ?
C79 C53 C52 P00J -173.9(13) . . . . ?
C79 C53 C52 C55 0.0 . . . . ?
C79 C65 C54 C55 0.0 . . . . ?
C65 C54 C55 C52 0.0 . . . . ?
C54 C55 C52 P00J 174.1(13) . . . . ?
C54 C55 C52 C53 0.0 . . . . ?
C52 P00J C01M C01C 122.9(8) . . . . ?
C52 P00J C01M C020 -60.2(9) . . . . ?
C52 P00J C58 C61 -2.4(13) . . . . ?
C52 P00J C58 C57 173.1(10) . . . . ?
C52 C53 C79 C65 0.0 . . . . ?
C68 P00L C6 C5 -175.6(8) . . . . ?
C68 P00L C6 C3 5.6(11) . . . . ?
C68 P00L C132 C27 102.3(10) . . . . ?
C68 P00L C132 C143 -70.5(11) . . . . ?
C68 C74 C73 C71 0.0 . . . . ?
C74 C68 C69 C72 0.0 . . . . ?
C74 C73 C71 C72 0.0 . . . . ?
C73 C71 C72 C69 0.0 . . . . ?
C71 C72 C69 C68 0.0 . . . . ?
C69 C68 C74 C73 0.0 . . . . ?
C85 P00M C028 C01A 67.8(8) . . . . ?
C85 P00M C028 C02G -110.7(8) . . . . ?
C85 P00M C75 C83 174.8(9) . . . . ?
C85 P00M C75 C76 -3.1(12) . . . . ?
C85 C86 C87 C88 0.0 . . . . ?
C86 C85 C84 C89 0.0 . . . . ?
C86 C87 C88 C89 0.0 . . . . ?
C87 C88 C89 C84 0.0 . . . . ?
C88 C89 C84 C85 0.0 . . . . ?
C84 C85 C86 C87 0.0 . . . . ?
C75 P00M C028 C01A 178.7(7) . . . . ?
C75 P00M C028 C02G 0.1(9) . . . . ?
C75 P00M C85 C86 -65.0(12) . . . . ?
C75 P00M C85 C84 118.6(9) . . . . ?
C75 C83 C82 C81 0.0 . . . . ?
C83 C75 C76 C77 0.0 . . . . ?
C83 C82 C81 C77 0.0 . . . . ?
C82 C81 C77 C76 0.0 . . . . ?
C81 C77 C76 C75 0.0 . . . . ?
C76 C75 C83 C82 0.0 . . . . ?
C224 C141 C22 C20 174(3) . . . . ?
C44 C30 C29 C21 179(2) . . . . ?
C16 P00Q C125 C147 74.4(14) . . . . ?
C16 P00Q C125 C78 -107.2(15) . . . . ?
C16 P00Q C31 C91 162.3(12) . . . . ?
C16 P00Q C31 C35 -7.8(17) . . . . ?
C16 C15 C28 C19 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C15 C28 C19 C18 0.0 . . . . ?
C28 C19 C18 C17 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C17 C16 C15 C28 0.0 . . . . ?
C91 C31 C35 C59 0.0 . . . . ?
C31 P00Q C125 C147 -177.2(13) . . . . ?
C31 P00Q C125 C78 1.2(19) . . . . ?
C31 P00Q C16 C15 119.6(12) . . . . ?
C31 P00Q C16 C17 -56.6(14) . . . . ?
C31 C91 C154 C90 0.0 . . . . ?
C31 C35 C59 C90 0.0 . . . . ?
C35 C59 C90 C154 0.0 . . . . ?
C59 C90 C154 C91 0.0 . . . . ?
C154 C91 C31 P00Q -170.9(15) . . . . ?
C154 C91 C31 C35 0.0 . . . . ?
C64 C62 C216 C61 0.0 . . . . ?
C62 C64 C57 O00T 175.1(19) . . . . ?
C62 C64 C57 C58 0.0 . . . . ?
C62 C216 C61 C58 0.0 . . . . ?
C216 C61 C58 P00J 175.5(13) . . . . ?
C216 C61 C58 C57 0.0 . . . . ?
C61 C58 C57 O00T -175.5(18) . . . . ?
C61 C58 C57 C64 0.0 . . . . ?
C58 P00J C01M C01C -126.0(8) . . . . ?
C58 P00J C01M C020 50.9(9) . . . . ?
C58 P00J C52 C53 -43.6(12) . . . . ?
C58 P00J C52 C55 142.4(10) . . . . ?
C57 O00T C01A C028 -137.4(13) . . . . ?
C57 O00T C01A C01V 49.9(17) . . . . ?
C57 C64 C62 C216 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.829 0.000 -0.063 2969.3 385.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_STOE_detector_distance          '60.0 mm'
_STOE_detector_pixelsize_x       '0.172 mm'
_STOE_detector_pixelsize_y       '0.172 mm'
_STOE_detector_size_x            '8.4 cm'
_STOE_detector_size_y            '10.6 cm'
_STOE_evaluation_integration_A   5.5
_STOE_evaluation_integration_B   -0.6
_STOE_evaluation_integration_EMS 0.010
_STOE_evaluation_LANA_BIS_l_even_max -
_STOE_evaluation_LANA_BIS_l_odd_max -
_STOE_evaluation_LANA_BOS_l_even_max 4
_STOE_evaluation_LANA_BOS_l_odd_max 1
_STOE_evaluation_LANA_completeness 92.9
_STOE_evaluation_LANA_DXS_max_order 3
_STOE_evaluation_LANA_DYS_max_order 3
_STOE_evaluation_LANA_FS_max_order 3
_STOE_evaluation_LANA_max_2theta_available 140.5
_STOE_evaluation_LANA_max_2theta_desired 140.5
_STOE_evaluation_LANA_mean_redundancy 2.4
_STOE_evaluation_LANA_number_refls_after_OR 73743
_STOE_evaluation_LANA_number_refls_outliers 3800
_STOE_evaluation_LANA_number_refls_total 77543
_STOE_evaluation_LANA_number_refls_unique 31347
_STOE_evaluation_LANA_number_refls_written 73743
_STOE_evaluation_LANA_OR_c1      0.035
_STOE_evaluation_LANA_OR_c2      0
_STOE_evaluation_LANA_OR_c3      0
_STOE_evaluation_LANA_OR_c4      0.7
_STOE_evaluation_LANA_point_group -1
_STOE_evaluation_LANA_table      
;
#----------------------------------------------------------------------------
2Theta          18.5   32.9   47.3   61.7   76.1   90.5  104.9  119.3  133.7
#----------------------------------------------------------------------------
<Resolution>    4.29   2.64   1.90   1.50   1.24   1.08   0.97   0.89   0.85
N(total)         708   2347   4086   5121  15494  15007  14755  12842   7183
<Redundancy>     1.7    1.8    1.7    1.6    3.1    2.7    2.5    2.3    2.0
Complet. [%%]    95.9   97.5   96.7   91.8   97.8   99.2   98.3   96.2   68.7
<I/sigma>       29.7   32.9   19.0    7.8    5.1    3.4    2.1    2.2    1.3
R(int)         0.039  0.035  0.040  0.060  0.049  0.062  0.092  0.098  0.200
#----------------------------------------------------------------------------
;
_STOE_measurement_identifier     1
_STOE_measurement_max_exposure_per_frame '15.0 s'
_STOE_measurement_mean_exposure_per_frame '11.5 s'
_STOE_measurement_min_exposure_per_frame '2.0 s'
_STOE_measurement_total_exposure_time '5.5 h'
_STOE_measurement_total_frame_number 1738
_STOE_measurement_total_run_number 32
_STOE_measurement_tube_power     '30.0 W'

# start Validation Reply Form
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02378 Ang.  
RESPONSE: the week diffraction at high angles
;
# end Validation Reply Form
