# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_twin1_hklf4
_database_code_depnum_ccdc_archive 'CCDC 2286449'
loop_
_audit_author_name
_audit_author_address
'Qian Liu'
;Tsinghua University
China
;
_audit_update_record             
;
2024-02-06 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_audit_creation_date             2023-04-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H72 Au4 O2 P4, 2(C2 F6 N O4 S2)'
_chemical_formula_sum            'C92 H72 Au4 F12 N2 O10 P4 S4'
_chemical_formula_weight         2633.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H P Au'
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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                   15.3967(2)
_cell_length_b                   23.3887(2)
_cell_length_c                   27.0694(3)
_cell_angle_alpha                90.7460(10)
_cell_angle_beta                 91.7370(10)
_cell_angle_gamma                91.3300(10)
_cell_volume                     9739.91(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    46682
_cell_measurement_temperature    100.03(10)
_cell_measurement_theta_max      74.1210
_cell_measurement_theta_min      4.0450
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.170
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5064
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            60249
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.204
_diffrn_reflns_theta_min         3.476
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.03(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  31.00   1.00    1.20    --  -41.81  57.00 -90.00   98
  2  ω    -65.00  32.00   1.00    1.20    --  -41.81  38.00  60.00   97
  3  ω   -112.00 -17.00   1.00    1.20    --  -41.81 -57.00 120.00   95
  4  ω     27.00  98.00   1.00    1.20    --   41.81-125.00  30.00   71
  5  ω     37.00  62.00   1.00    1.20    --   41.81-125.00-180.00   25
  6  ω     34.00 136.00   1.00    4.79    --  107.37 -30.00-180.00  102
  7  ω    122.00 149.00   1.00    4.79    --  107.37  77.00-150.00   27
  8  ω     43.00  70.00   1.00    4.79    --  107.37 -77.00-120.00   27
  9  ω    117.00 174.00   1.00    4.79    --  107.37  77.00-120.00   57
 10  ω     35.00 132.00   1.00    4.79    --  107.37 -45.00 -60.00   97
 11  ω     58.00 112.00   1.00    4.79    --  107.37-125.00 -30.00   54
 12  ω     80.00 106.00   1.00    4.79    --  107.37 -95.00-150.00   26
 13  ω     41.00 128.00   1.00    4.79    --  107.37 -45.00  90.00   87
 14  ω     63.00 106.00   1.00    4.79    --  107.37 -95.00   0.00   43
 15  ω     47.00 112.00   1.00    4.79    --  107.37-125.00   0.00   65
 16  ω     62.00 105.00   1.00    4.79    --  107.37 -95.00-180.00   43
 17  ω     33.00 106.00   1.00    4.79    --  107.37 -95.00  90.00   73
 18  ω     54.00 171.00   1.00    4.79    --  107.37   0.00-150.00  117
 19  ω     99.00 124.00   1.00    4.79    --  107.37-140.00 -95.48   25
 20  ω     42.00  67.00   1.00    1.20    --   42.31 -38.00 -30.00   25
 21  ω     63.00  89.00   1.00    4.79    --  107.37-125.00-120.00   26
 22  ω   -117.00 -18.00   1.00    1.20    --  -42.31 -38.00   0.00   99
 23  ω   -114.00 -14.00   1.00    1.20    --  -42.31 -57.00 -60.00  100
 24  ω      9.00  42.00   1.00    1.20    --   42.31  79.00  84.27   33
 25  ω      9.00  42.00   1.00    1.20    --   42.31  79.00-137.13   33
 26  ω      9.00  42.00   1.00    1.20    --   42.31  80.00 -67.62   33
 27  ω      8.00  34.00   1.00    1.20    --   42.31  83.00-104.95   26
 28  ω     55.00 178.00   1.00    4.79    --  107.37  15.00  30.00  123
 29  ω     80.00 178.00   1.00    4.79    --  107.37  52.00-150.10   98
 30  ω     82.00 178.00   1.00    4.79    --  107.37  45.00 -60.00   96
 31  ω     78.00 178.00   1.00    4.79    --  107.37  61.00  30.00  100
 32  ω     78.00 178.00   1.00    4.79    --  107.37  61.00 150.00  100
 33  ω     80.00 178.00   1.00    4.79    --  107.37  52.00  89.63   98
 34  ω     78.00 178.00   1.00    4.79    --  107.37  61.00 120.00  100
 35  ω     78.00 178.00   1.00    4.79    --  107.37  60.00  -6.24  100
 36  ω     78.00 178.00   1.00    4.79    --  107.37  61.00-180.00  100
 37  ω     78.00 178.00   1.00    4.79    --  107.37  61.00  60.00  100
 38  ω     79.00 178.00   1.00    4.79    --  107.37  57.00-101.51   99
 39  ω     79.00 178.00   1.00    4.79    --  107.37  30.00 -90.00   99
 40  ω    -87.00  -6.00   1.00    1.20    --  -42.31 125.00  60.00   81
 41  ω      8.00  34.00   1.00    1.20    --   42.31  83.00 -10.30   26
 42  ω      8.00  34.00   1.00    1.20    --   42.31  83.00 134.73   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0332072000
_diffrn_orient_matrix_UB_12      0.0323077000
_diffrn_orient_matrix_UB_13      0.0453815000
_diffrn_orient_matrix_UB_21      0.0872897000
_diffrn_orient_matrix_UB_22      -0.0093647000
_diffrn_orient_matrix_UB_23      0.0277001000
_diffrn_orient_matrix_UB_31      0.0361128000
_diffrn_orient_matrix_UB_32      0.0566591000
_diffrn_orient_matrix_UB_33      -0.0203896000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                52739
_reflns_number_total             60249
_reflns_special_details          
;
 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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         6.159
_refine_diff_density_min         -3.798
_refine_diff_density_rms         0.416
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2310
_refine_ls_number_reflns         60249
_refine_ls_number_restraints     1699
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0929
_refine_ls_restrained_S_all      1.055
_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)+(0.1720P)²+166.4250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2487
_refine_ls_wR_factor_ref         0.2556
_refine_special_details          'Refined as a 2-component twin.,Twin,SQUEEZE'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.5808(8)
 0.4192(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 S1-C26
 1.795 with sigma of 0.02
 F2-C61
 1.362 with sigma of 0.02
 C61-F1
 1.362 with sigma of 0.02
 F22-C61
 1.362 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C021) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C05M) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03X) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C08M) \\sim Ueq, Uanis(C06N) \\sim Ueq, Uanis(C044) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C61) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01T) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07R) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C01W, Au03, C03X, P00P, Au06, Au08, Au07, C01N, C09E, C05C, C069, C9, P00I,
 P00K, C01X, C03K, C09G, P00Q, C03A, C06K, C04G, C05W, C49, C15, C18, C080,
 C083, C018, C02A, C02N, C13, C026, C02S, C07L, C044, O01C, C098, C02T, C052,
 C05I, C021, C057, C025, C089, C093, C08T, C08W, C45, C42, C39, C08A, C02Z, C8,
 C01F, C04B, C05Y, C03R, C01A, C08N, C032, C06J, C08B, C09S, C44, C04R, C043,
 C04U, C06N, C040, C09P, C09D, C37, C31, C43, C068, C03J, C022, C065, C05H,
 C06M, C02J, C04H, C08O, C05X, C06E, C48, C32, O01P, C08Q, C08S, C06D, C06L,
 C09N, C02C, C049, C06Q, C06I, C07R
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N13, S1, O8, O11, C26, S2, F14, F27, F29, O23, O1, F1, F2, F22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Au04, Au01, Au02, P00N, C01U, Au05, P00F, P00O, C019, C056, C073, C084, C01T,
 P00L, C02Y, C04X, C067, C031, C046, C05A, C055, C06C, C02E, C07K, C05O, C7,
 C05U, C02K, C02W, C023, C02L, C06W, C02R, C074, C02U, C03P, C1, C03U, C045,
 C09J, C04O, C075, C05E, C05Z, C02G, C04C, H06C, C03L, H02E, C02X, H07K, C05T,
 H05O, C07W, C08Z, H7, C04M, H05U, C04Q, O016, C02D, C02V, C05M, C047, C05S,
 C09Q, C02B, H02R, C03D, H074, C05B, H02U, C03V, H03P, C06Y, H1, C11, H03U,
 C04A, H045, C059, C05G, H09J, H04O, C086, H075, C03O, H05E, C07T, H05Z, C27,
 H02G, C03T, C05V, H03L, C05F, H02X, C05L, H05T, H07W, C062, H08Z, H04M, C02Q,
 H04Q, C05R, H02D, H02V, C03Y, H05M, C07C, H047, C029, H05S, C06A, H09Q, C01Z,
 H02B, C07A, H03D, C048, H05B, H03V, C08L, H06Y, C04I, H11, H04A, H059, C095,
 H05G, C04F, H086, H03O, H07T, C34, H27, H03T, C07S, H05V, H05F, H05L, H062,
 O03Z, H05a, H05c, H05h, H03Y, C08M, H07e, H029, C03C, H06A, H01Z, C05D, H07d,
 H048, H08L, H04I, H095, H04F, H34, H07S, C077, H08M, H03C, H05D, H07a, H07b,
 H07c
 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:
 C018(H018), C01A(H01A), C01F(H01F), C01W(H01W), C01Z(H01Z), C022(H022),
 C029(H029), C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02G(H02G),
 C02J(H02J), C02R(H02R), C02U(H02U), C02V(H02V), C02X(H02X), C02Z(H02Z),
 C032(H032), C03C(H03C), C03D(H03D), C03J(H03J), C03K(H03K), C03L(H03L),
 C03O(H03O), C03P(H03P), C03R(H03R), C03T(H03T), C03U(H03U), C03V(H03V),
 C03Y(H03Y), C040(H040), C044(H044), C045(H045), C047(H047), C048(H048),
 C049(H049), C04A(H04A), C04B(H04B), C04F(H04F), C04G(H04G), C04H(H04H),
 C04I(H04I), C04M(H04M), C04O(H04O), C04Q(H04Q), C04U(H04U), C052(H052),
 C059(H059), C05B(H05B), C05D(H05D), C05E(H05E), C05F(H05F), C05G(H05G),
 C05H(H05i), C05I(H05j), C05L(H05L), C05M(H05M), C05O(H05O), C05S(H05S),
 C05T(H05T), C05U(H05U), C05V(H05V), C05W(H05W), C05X(H05X), C05Y(H05Y),
 C05Z(H05Z), C062(H062), C065(H065), C068(H068), C06A(H06A), C06C(H06C),
 C06D(H06D), C06E(H06E), C06J(H06J), C06L(H06L), C06M(H06M), C06N(H06N),
 C06Q(H06Q), C06Y(H06Y), C074(H074), C075(H075), C07A(H07d), C07C(H07e),
 C07K(H07K), C07R(H07R), C07S(H07S), C07T(H07T), C07W(H07W), C080(H080),
 C083(H083), C086(H086), C089(H089), C08A(H08A), C08B(H08B), C08L(H08L),
 C08M(H08M), C08N(H08N), C08O(H08O), C08Q(H08Q), C08S(H08S), C08T(H08T),
 C08W(H08W), C08Z(H08Z), C093(H093), C095(H095), C098(H098), C09D(H09D),
 C09G(H09G), C09J(H09J), C09N(H09N), C09P(H09P), C09Q(H09Q), C09S(H09S), C8(H8),
  C15(H15), C18(H18), C31(H31), C39(H39), C42(H42), C43(H43), C45(H45),
 C48(H48), C49(H49), C1(H1), C11(H11), C27(H27), C34(H34), C32(H32), C37(H37),
 C44(H44), C7(H7)
6.b Idealised Me refined as rotating group:
 C04R(H04c,H04d,H04e), C05R(H05a,H05c,H05h), C06I(H06b,H06f,H06g), C077(H07a,
 H07b,H07c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.59865(3) 0.83485(2) 0.96090(2) 0.01492(12) Uani 1 1 d . . . . .
Au02 Au 0.44529(3) 0.77227(2) 0.94131(2) 0.01327(12) Uani 1 1 d . . . . .
Au03 Au 0.13812(4) 0.73369(2) 0.50111(2) 0.01862(13) Uani 1 1 d . . . . .
Au04 Au 0.57766(4) 0.76656(2) 1.05507(2) 0.01669(13) Uani 1 1 d . . . . .
Au05 Au 0.39870(4) 0.74740(2) 1.04499(2) 0.01546(13) Uani 1 1 d . . . . .
Au06 Au 0.03653(4) 0.66773(2) 0.43354(2) 0.01849(13) Uani 1 1 d . . . . .
Au07 Au -0.09677(4) 0.72498(3) 0.49167(2) 0.02075(14) Uani 1 1 d . . . . .
Au08 Au -0.00025(4) 0.74845(3) 0.57736(2) 0.02013(14) Uani 1 1 d . . . . .
P00F P 0.4189(2) 0.70730(15) 0.87831(12) 0.0162(6) Uani 1 1 d . . . . .
P00I P 0.0178(3) 0.65111(15) 0.35084(12) 0.0171(7) Uani 1 1 d . . . . .
P00K P 0.0048(3) 0.81993(17) 0.63580(12) 0.0210(7) Uani 1 1 d . . . . .
P00L P 0.2996(2) 0.67917(15) 1.06604(12) 0.0161(6) Uani 1 1 d . . . . .
P00N P 0.7315(2) 0.85080(15) 0.92828(13) 0.0165(6) Uani 1 1 d . . . . .
P00O P 0.6914(2) 0.70849(15) 1.07262(12) 0.0166(6) Uani 1 1 d . . . . .
P00P P 0.2356(3) 0.80466(17) 0.48243(13) 0.0224(7) Uani 1 1 d . . . . .
P00Q P -0.1858(3) 0.78225(17) 0.44630(14) 0.0227(7) Uani 1 1 d . . . . .
S00R S 0.0265(3) 0.5554(2) 0.16058(16) 0.0350(9) Uani 1 1 d . . . . .
S00S S 0.1016(3) 0.44940(19) 0.17517(19) 0.0407(11) Uani 1 1 d . . . . .
S00T S 0.0328(3) 0.9548(2) 0.84133(19) 0.0426(11) Uani 1 1 d . . . . .
S00U S 0.5430(4) 0.5022(2) 0.60400(18) 0.0435(11) Uani 1 1 d . . . . .
S010 S 0.5340(4) 0.5054(3) 0.7070(2) 0.0517(13) Uani 1 1 d . . . . .
S011 S -0.0221(5) 1.0329(3) 0.7731(2) 0.0574(15) Uani 1 1 d . . . . .
O016 O 0.4320(7) 0.8781(5) 0.8931(4) 0.023(2) Uani 1 1 d . . . . .
C018 C 0.0049(11) 0.7672(6) 0.3299(5) 0.022(3) Uani 1 1 d . . . . .
H018 H 0.038379 0.774688 0.359394 0.027 Uiso 1 1 calc R U . . .
C019 C 0.4782(9) 0.8253(6) 1.0415(5) 0.014(2) Uani 1 1 d . . . . .
C01A C 0.1842(12) 0.8275(8) 0.6341(6) 0.032(3) Uani 1 1 d . . . . .
H01A H 0.180845 0.791029 0.618107 0.038 Uiso 1 1 calc R U . . .
O01C O 0.2297(9) 0.6357(6) 0.4817(5) 0.037(3) Uani 1 1 d . . . . .
C01F C -0.1399(11) 0.5919(7) 0.3560(6) 0.026(3) Uani 1 1 d . . . . .
H01F H -0.154508 0.621441 0.378438 0.031 Uiso 1 1 calc R U . . .
C01N C -0.0177(12) 0.6705(8) 0.5341(6) 0.031(3) Uani 1 1 d . . . . .
O01P O 0.2005(12) 0.4398(6) 0.5300(5) 0.049(3) Uani 1 1 d . . . . .
C01T C 0.4355(9) 0.8980(6) 0.9799(5) 0.017(2) Uani 1 1 d . U . . .
C01U C 0.4676(8) 0.8420(6) 0.9916(5) 0.017(2) Uani 1 1 d . . . . .
O01V O 0.6212(12) 0.4936(9) 0.5788(6) 0.064(5) Uani 1 1 d . . . . .
C01W C -0.2009(11) 0.5495(8) 0.3441(7) 0.030(3) Uani 1 1 d . . . . .
H01W H -0.257331 0.550368 0.357357 0.036 Uiso 1 1 calc R U . . .
C01X C 0.1871(11) 0.5923(7) 0.5013(6) 0.027(3) Uani 1 1 d . . . . .
C01Z C 0.3644(14) 0.5395(8) 1.1479(8) 0.040(4) Uani 1 1 d . . . . .
H01Z H 0.339597 0.516405 1.172604 0.048 Uiso 1 1 calc R U . . .
F020 F 0.0883(9) 0.4368(6) 0.2703(5) 0.051(3) Uani 1 1 d . . . . .
C021 C -0.2640(10) 0.8193(7) 0.4840(6) 0.023(3) Uani 1 1 d . U . . .
C022 C -0.0945(13) 0.7472(7) 0.2430(6) 0.032(3) Uani 1 1 d . . . . .
H022 H -0.126539 0.739957 0.212894 0.038 Uiso 1 1 calc R U . . .
C023 C 0.2324(11) 0.7098(7) 1.1147(5) 0.025(3) Uani 1 1 d . . . . .
C025 C -0.0258(12) 0.5695(8) 0.5654(6) 0.030(3) Uani 1 1 d . . . . .
C026 C 0.1083(12) 0.8542(7) 0.6481(5) 0.028(3) Uani 1 1 d . . . . .
F027 F 0.4406(13) 0.5914(8) 0.5944(6) 0.081(5) Uani 1 1 d . . . . .
F028 F 0.2130(7) 0.4171(5) 0.2441(6) 0.053(3) Uani 1 1 d . . . . .
C029 C 0.1221(11) 0.5825(8) 0.9831(6) 0.030(3) Uani 1 1 d . . . . .
H029 H 0.088714 0.548138 0.986016 0.036 Uiso 1 1 calc R U . . .
C02A C -0.0222(10) 0.7099(6) 0.3157(5) 0.018(2) Uani 1 1 d . . . . .
C02B C 0.4357(11) 0.6037(8) 1.0727(6) 0.028(3) Uani 1 1 d . . . . .
H02B H 0.460673 0.625972 1.047428 0.033 Uiso 1 1 calc R U . . .
C02C C 0.2714(14) 0.9070(10) 0.6680(9) 0.049(4) Uani 1 1 d . . . . .
H02C H 0.327016 0.924599 0.674079 0.059 Uiso 1 1 calc R U . . .
C02D C 0.3912(9) 0.9934(6) 1.0068(6) 0.020(2) Uani 1 1 d . . . . .
H02D H 0.380440 1.019591 1.032875 0.024 Uiso 1 1 calc R U . . .
C02E C 0.7626(10) 0.7349(6) 0.9198(6) 0.021(3) Uani 1 1 d . . . . .
H02E H 0.701119 0.729894 0.919289 0.025 Uiso 1 1 calc R U . . .
O02F O 0.1116(10) 0.5801(7) 0.1510(6) 0.048(4) Uani 1 1 d . . . . .
C02G C 0.4583(11) 0.8466(7) 1.1309(5) 0.025(3) Uani 1 1 d . . . . .
H02G H 0.479710 0.809895 1.138643 0.030 Uiso 1 1 calc R U . . .
C02J C 0.2631(13) 0.8538(9) 0.6434(7) 0.040(4) Uani 1 1 d . . . . .
H02J H 0.314073 0.835651 0.632974 0.048 Uiso 1 1 calc R U . . .
C02K C 0.4216(8) 0.9174(6) 0.9297(5) 0.018(2) Uani 1 1 d . . . . .
C02L C 0.2246(9) 0.6537(7) 1.0180(5) 0.020(2) Uani 1 1 d . . . . .
C02N C -0.0582(9) 0.5929(6) 0.3362(5) 0.017(2) Uani 1 1 d . . . . .
F02O F -0.0258(8) 0.5987(7) 0.0763(5) 0.056(4) Uani 1 1 d . . . . .
C02Q C 0.3819(9) 1.0109(6) 0.9580(6) 0.021(2) Uani 1 1 d . . . . .
C02R C 0.3352(11) 0.6041(7) 0.8521(6) 0.024(3) Uani 1 1 d . . . . .
H02R H 0.326536 0.619906 0.820217 0.028 Uiso 1 1 calc R U . . .
C02S C -0.0329(9) 0.7895(5) 0.6934(4) 0.013(2) Uani 1 1 d . . . . .
C02T C -0.1283(12) 0.8402(7) 0.4168(6) 0.029(3) Uani 1 1 d . . . . .
C02U C 0.2752(11) 0.7712(7) 0.8507(6) 0.027(3) Uani 1 1 d . . . . .
H02U H 0.269032 0.776933 0.885188 0.033 Uiso 1 1 calc R U . . .
C02V C 0.1446(11) 0.7040(7) 1.1147(6) 0.028(3) Uani 1 1 d . . . . .
H02V H 0.113701 0.685184 1.087987 0.033 Uiso 1 1 calc R U . . .
C02W C 0.4160(9) 0.9380(6) 1.0179(5) 0.019(2) Uani 1 1 d . . . . .
C02X C 0.8171(12) 0.6878(7) 0.9134(6) 0.030(3) Uani 1 1 d . . . . .
H02X H 0.792645 0.650639 0.907117 0.036 Uiso 1 1 calc R U . . .
C02Y C 0.3782(8) 0.6361(6) 0.8907(5) 0.015(2) Uani 1 1 d . . . . .
C02Z C -0.0198(11) 0.8115(6) 0.2985(6) 0.025(3) Uani 1 1 d . . . . .
H02Z H 0.000288 0.849294 0.306693 0.030 Uiso 1 1 calc R U . . .
C031 C 0.7010(9) 0.6516(6) 1.0273(5) 0.016(2) Uani 1 1 d . . . . .
C032 C -0.0808(11) 0.7416(6) 0.6919(5) 0.024(3) Uani 1 1 d . . . . .
H032 H -0.096360 0.724338 0.660862 0.028 Uiso 1 1 calc R U . . .
F033 F 0.0203(9) 0.5114(6) 0.0711(4) 0.051(3) Uani 1 1 d . . . . .
O034 O 0.4696(17) 0.4655(9) 0.6007(8) 0.087(7) Uani 1 1 d . . . . .
O035 O 0.0150(16) 0.9944(13) 0.8803(8) 0.088(8) Uani 1 1 d . . . . .
C03A C -0.0642(12) 0.6248(8) 0.5612(6) 0.030(3) Uani 1 1 d . . . . .
C03C C 0.1162(11) 0.6158(8) 0.9398(6) 0.029(3) Uani 1 1 d . . . . .
H03C H 0.080985 0.602077 0.912550 0.035 Uiso 1 1 calc R U . . .
C03D C 0.3049(12) 0.5470(7) 0.8626(7) 0.029(3) Uani 1 1 d . . . . .
H03D H 0.276381 0.524417 0.837289 0.035 Uiso 1 1 calc R U . . .
O03H O 0.1686(13) 0.4662(7) 0.1439(7) 0.068(5) Uani 1 1 d . . . . .
O03I O 0.0189(18) 0.8949(11) 0.8499(10) 0.109(11) Uani 1 1 d . . . . .
C03J C -0.0716(11) 0.8034(7) 0.2564(6) 0.028(3) Uani 1 1 d . . . . .
H03J H -0.090905 0.834771 0.237351 0.033 Uiso 1 1 calc R U . . .
C03K C -0.0438(13) 0.8531(8) 0.4344(6) 0.035(3) Uani 1 1 d . . . . .
H03K H -0.015964 0.828707 0.457350 0.042 Uiso 1 1 calc R U . . .
C03L C 0.9431(13) 0.7485(10) 0.9238(9) 0.045(4) Uani 1 1 d . . . . .
H03L H 1.004718 0.752375 0.925464 0.054 Uiso 1 1 calc R U . . .
C03O C 0.5960(14) 0.6311(8) 1.1948(6) 0.037(4) Uani 1 1 d . . . . .
H03O H 0.542981 0.628666 1.211825 0.045 Uiso 1 1 calc R U . . .
C03P C 0.3544(11) 0.7319(7) 0.7826(5) 0.026(3) Uani 1 1 d . . . . .
H03P H 0.400231 0.709993 0.770153 0.031 Uiso 1 1 calc R U . . .
C03R C 0.1346(11) 0.6448(7) 0.2742(6) 0.027(3) Uani 1 1 d . . . . .
H03R H 0.090589 0.661694 0.254281 0.033 Uiso 1 1 calc R U . . .
C03T C 0.4322(12) 0.8816(7) 1.1679(6) 0.028(3) Uani 1 1 d . . . . .
H03T H 0.435131 0.869611 1.201331 0.033 Uiso 1 1 calc R U . . .
C03U C 0.5661(11) 0.7458(7) 0.8314(5) 0.025(3) Uani 1 1 d . . . . .
H03U H 0.543386 0.782802 0.836348 0.030 Uiso 1 1 calc R U . . .
C03V C 0.2157(11) 0.7955(8) 0.8181(7) 0.033(3) Uani 1 1 d . . . . .
H03V H 0.168190 0.816253 0.830158 0.040 Uiso 1 1 calc R U . . .
C03X C 0.0628(10) 0.6590(7) 0.5145(5) 0.023(3) Uani 1 1 d . U . . .
C03Y C 0.1005(11) 0.7260(8) 1.1546(6) 0.031(3) Uani 1 1 d . . . . .
H03Y H 0.040295 0.717187 1.157162 0.038 Uiso 1 1 calc R U . . .
O03Z O 0.3639(7) 1.0664(5) 0.9523(5) 0.028(2) Uani 1 1 d . . . . .
C040 C -0.3137(11) 0.7047(8) 0.4161(7) 0.034(3) Uani 1 1 d . . . . .
H040 H -0.324697 0.703151 0.450444 0.041 Uiso 1 1 calc R U . . .
C041 C 0.1457(12) 0.4538(8) 0.2380(8) 0.038(4) Uani 1 1 d . . . . .
O042 O 0.0657(12) 0.3927(6) 0.1692(8) 0.066(5) Uani 1 1 d . . . . .
C043 C 0.1714(13) 0.4949(8) 0.5267(6) 0.034(3) Uani 1 1 d . . . . .
C044 C -0.2662(12) 0.8069(9) 0.5344(7) 0.036(3) Uani 1 1 d . U . . .
H044 H -0.229828 0.777337 0.545994 0.043 Uiso 1 1 calc R U . . .
C045 C 0.7703(13) 0.6131(8) 1.0294(7) 0.037(4) Uani 1 1 d . . . . .
H045 H 0.814620 0.618063 1.054384 0.044 Uiso 1 1 calc R U . . .
C046 C 0.6826(11) 0.6709(7) 1.1314(5) 0.025(3) Uani 1 1 d . . . . .
C047 C 0.1789(11) 0.6020(7) 1.0214(6) 0.026(3) Uani 1 1 d . . . . .
H047 H 0.186354 0.579503 1.050173 0.031 Uiso 1 1 calc R U . . .
C048 C 0.3171(11) 0.5256(7) 0.9083(7) 0.030(3) Uani 1 1 d . . . . .
H048 H 0.297223 0.487777 0.914879 0.036 Uiso 1 1 calc R U . . .
C049 C -0.0870(10) 0.7396(6) 0.7794(5) 0.024(3) Uani 1 1 d . . . . .
H049 H -0.108725 0.723941 0.808901 0.029 Uiso 1 1 calc R U . . .
C04A C 0.6465(10) 0.7395(8) 0.8087(6) 0.028(3) Uani 1 1 d . . . . .
H04A H 0.678604 0.772289 0.798568 0.034 Uiso 1 1 calc R U . . .
C04B C -0.0351(11) 0.5483(7) 0.3036(7) 0.030(3) Uani 1 1 d . . . . .
H04B H 0.020918 0.548015 0.289831 0.036 Uiso 1 1 calc R U . . .
C04C C 0.4219(10) 0.9190(7) 1.0701(6) 0.023(3) Uani 1 1 d . . . . .
F04D F 0.1771(11) 0.5043(5) 0.2511(6) 0.064(4) Uani 1 1 d . . . . .
F04E F 0.4830(14) 0.5533(8) 0.5272(5) 0.093(7) Uani 1 1 d . . . . .
C04F C 0.6699(13) 0.6028(7) 1.2138(6) 0.031(3) Uani 1 1 d . . . . .
H04F H 0.664960 0.577073 1.240475 0.037 Uiso 1 1 calc R U . . .
C04G C -0.1410(13) 0.6356(9) 0.5833(7) 0.036(4) Uani 1 1 d . . . . .
H04G H -0.165085 0.672510 0.581115 0.043 Uiso 1 1 calc R U . . .
C04H C 0.1964(14) 0.9334(9) 0.6835(8) 0.043(4) Uani 1 1 d . . . . .
H04H H 0.200638 0.968822 0.701107 0.052 Uiso 1 1 calc R U . . .
C04I C 0.6776(11) 0.6870(8) 0.8013(6) 0.033(3) Uani 1 1 d . . . . .
H04I H 0.730881 0.683156 0.784935 0.040 Uiso 1 1 calc R U . . .
O04J O -0.0346(11) 0.5902(7) 0.1853(6) 0.051(4) Uani 1 1 d . . . . .
C04M C 0.8663(12) 0.9998(9) 0.9629(8) 0.039(4) Uani 1 1 d . . . . .
H04M H 0.882435 1.034484 0.947369 0.047 Uiso 1 1 calc R U . . .
C04O C 0.7586(12) 0.6446(7) 1.1520(6) 0.030(3) Uani 1 1 d . . . . .
H04O H 0.813750 0.649077 1.137481 0.036 Uiso 1 1 calc R U . . .
C04Q C 0.3955(9) 0.9714(7) 0.9194(6) 0.024(3) Uani 1 1 d . . . . .
H04Q H 0.386615 0.982476 0.885990 0.028 Uiso 1 1 calc R U . . .
C04R C 0.3179(12) 0.6282(9) 0.4685(8) 0.041(4) Uani 1 1 d . . . . .
H04C H 0.322179 0.593010 0.448824 0.061 Uiso 1 1 calc R U . . .
H04D H 0.354646 0.625658 0.498571 0.061 Uiso 1 1 calc R U . . .
H04E H 0.337482 0.660926 0.449100 0.061 Uiso 1 1 calc R U . . .
C04T C 0.504(2) 0.5688(12) 0.5729(10) 0.061(7) Uani 1 1 d . . . . .
C04U C -0.1157(17) 0.9224(8) 0.3652(8) 0.046(4) Uani 1 1 d . . . . .
H04U H -0.140549 0.944639 0.339477 0.056 Uiso 1 1 calc R U . . .
C04X C 0.3449(10) 0.7380(6) 0.8340(5) 0.022(3) Uani 1 1 d . . . . .
F050 F -0.1044(9) 0.5262(6) 0.1005(5) 0.060(4) Uani 1 1 d . . . . .
C052 C -0.1621(12) 0.8762(8) 0.3827(6) 0.032(3) Uani 1 1 d . . . . .
H052 H -0.219904 0.869272 0.370399 0.039 Uiso 1 1 calc R U . . .
F054 F 0.3775(10) 0.5352(8) 0.6817(7) 0.077(5) Uani 1 1 d . . . . .
C055 C 0.4537(10) 0.8643(7) 1.0807(5) 0.021(3) Uani 1 1 d . . . . .
C056 C 0.8015(10) 0.7887(6) 0.9268(5) 0.020(3) Uani 1 1 d . . . . .
C057 C -0.2505(10) 0.7422(6) 0.3995(6) 0.023(3) Uani 1 1 d . . . . .
C058 C -0.0234(15) 0.5483(12) 0.1004(8) 0.053(6) Uani 1 1 d . . . . .
C059 C 0.7751(15) 0.5678(9) 0.9955(7) 0.044(4) Uani 1 1 d . . . . .
H059 H 0.824203 0.543879 0.995457 0.053 Uiso 1 1 calc R U . . .
C05A C 0.7947(10) 0.7493(7) 1.0807(6) 0.024(3) Uani 1 1 d . . . . .
C05B C 0.3590(11) 0.5589(7) 0.9464(6) 0.029(3) Uani 1 1 d . . . . .
H05B H 0.365816 0.543481 0.978545 0.035 Uiso 1 1 calc R U . . .
C05C C 0.2359(11) 0.8741(7) 0.5111(5) 0.027(3) Uani 1 1 d . . . . .
C05D C 0.4442(14) 0.5266(7) 1.1314(8) 0.040(4) Uani 1 1 d . . . . .
H05D H 0.476650 0.497492 1.146985 0.048 Uiso 1 1 calc R U . . .
C05E C 0.8020(14) 0.7891(7) 1.1167(7) 0.035(3) Uani 1 1 d . . . . .
H05E H 0.754318 0.794756 1.137570 0.042 Uiso 1 1 calc R U . . .
C05F C 0.9042(12) 0.6960(7) 0.9162(6) 0.032(3) Uani 1 1 d . . . . .
H05F H 0.940058 0.663805 0.912603 0.038 Uiso 1 1 calc R U . . .
C05G C 0.6354(13) 0.5953(8) 0.9598(7) 0.037(4) Uani 1 1 d . . . . .
H05G H 0.589025 0.588925 0.936323 0.044 Uiso 1 1 calc R U . . .
C05H C 0.2672(11) 0.6009(8) 0.3334(7) 0.035(4) Uani 1 1 d . . . . .
H05I H 0.312881 0.585658 0.353169 0.042 Uiso 1 1 calc R U . . .
C05I C -0.0353(15) 0.9369(7) 0.3839(7) 0.041(4) Uani 1 1 d . . . . .
H05J H -0.005143 0.970142 0.373267 0.050 Uiso 1 1 calc R U . . .
C05L C 0.7019(13) 0.9036(9) 0.7660(7) 0.042(4) Uani 1 1 d . . . . .
H05L H 0.696156 0.914262 0.732317 0.050 Uiso 1 1 calc R U . . .
C05M C 0.2773(12) 0.7389(8) 1.1521(6) 0.034(4) Uani 1 1 d . U . . .
H05M H 0.338777 0.743262 1.152573 0.041 Uiso 1 1 calc R U . . .
C05O C 0.6409(11) 0.8940(7) 0.8457(6) 0.026(3) Uani 1 1 d . . . . .
H05O H 0.593056 0.898098 0.866770 0.031 Uiso 1 1 calc R U . . .
N05Q N 0.5668(12) 0.5261(10) 0.6571(7) 0.054(5) Uani 1 1 d . . . . .
C05R C 0.4093(12) 0.8922(7) 0.8431(6) 0.028(3) Uani 1 1 d . . . . .
H05A H 0.455091 0.879729 0.821342 0.042 Uiso 1 1 calc R U . . .
H05C H 0.402996 0.933662 0.840586 0.042 Uiso 1 1 calc R U . . .
H05H H 0.354246 0.872829 0.833262 0.042 Uiso 1 1 calc R U . . .
C05S C 0.2146(10) 0.6860(7) 0.9743(5) 0.023(3) Uani 1 1 d . . . . .
H05S H 0.245875 0.721155 0.970838 0.027 Uiso 1 1 calc R U . . .
C05T C 0.7812(13) 0.8818(9) 0.7844(7) 0.039(4) Uani 1 1 d . . . . .
H05T H 0.828470 0.877560 0.763012 0.047 Uiso 1 1 calc R U . . .
C05U C 0.8189(11) 0.9573(7) 0.9368(6) 0.028(3) Uani 1 1 d . . . . .
H05U H 0.803542 0.962837 0.902934 0.033 Uiso 1 1 calc R U . . .
C05V C 0.3982(11) 0.9539(7) 1.1095(6) 0.027(3) Uani 1 1 d . . . . .
H05V H 0.379633 0.991510 1.102511 0.032 Uiso 1 1 calc R U . . .
C05W C 0.1577(13) 0.8953(8) 0.5265(6) 0.033(3) Uani 1 1 d . . . . .
H05W H 0.105503 0.872986 0.523167 0.040 Uiso 1 1 calc R U . . .
C05X C -0.0345(12) 0.7852(8) 0.7808(6) 0.032(3) Uani 1 1 d . . . . .
H05X H -0.015167 0.799816 0.812310 0.039 Uiso 1 1 calc R U . . .
C05Y C 0.1865(11) 0.6123(6) 0.3544(6) 0.026(3) Uani 1 1 d . . . . .
H05Y H 0.177082 0.605858 0.388411 0.031 Uiso 1 1 calc R U . . .
C05Z C 0.8630(10) 0.7426(9) 1.0475(7) 0.029(3) Uani 1 1 d . . . . .
H05Z H 0.857855 0.715779 1.020835 0.035 Uiso 1 1 calc R U . . .
C062 C 0.8897(13) 0.9905(9) 1.0123(8) 0.043(4) Uani 1 1 d . . . . .
H062 H 0.924666 1.018376 1.029925 0.051 Uiso 1 1 calc R U . . .
C065 C -0.0957(12) 0.5051(8) 0.2920(7) 0.036(4) Uani 1 1 d . . . . .
H065 H -0.080936 0.475082 0.270004 0.043 Uiso 1 1 calc R U . . .
C067 C 0.5199(9) 0.6974(6) 0.8467(5) 0.019(2) Uani 1 1 d . . . . .
C068 C 0.2307(18) 0.8323(9) 0.3147(7) 0.053(6) Uani 1 1 d . . . . .
H068 H 0.234470 0.837856 0.280147 0.064 Uiso 1 1 calc R U . . .
C069 C 0.3442(11) 0.7798(8) 0.4948(6) 0.030(3) Uani 1 1 d . . . . .
C06A C 0.1582(10) 0.6654(7) 0.9363(6) 0.025(3) Uani 1 1 d . . . . .
H06A H 0.149862 0.687486 0.907468 0.030 Uiso 1 1 calc R U . . .
C06C C 0.8917(11) 0.7968(8) 0.9293(7) 0.033(4) Uani 1 1 d . . . . .
H06C H 0.917428 0.833798 0.934598 0.040 Uiso 1 1 calc R U . . .
C06D C -0.2867(11) 0.7089(9) 0.3170(7) 0.036(4) Uani 1 1 d . . . . .
H06D H -0.277150 0.709615 0.282471 0.043 Uiso 1 1 calc R U . . .
C06E C -0.1682(16) 0.9505(9) 0.6361(10) 0.052(5) Uani 1 1 d . . . . .
H06E H -0.200998 0.971573 0.658923 0.062 Uiso 1 1 calc R U . . .
O06H O -0.024(3) 1.0370(17) 0.7211(9) 0.147(14) Uani 1 1 d . . . . .
C06I C 0.2850(18) 0.4274(9) 0.5120(9) 0.057(6) Uani 1 1 d . . . . .
H06B H 0.290914 0.443635 0.478993 0.085 Uiso 1 1 calc R U . . .
H06F H 0.291844 0.385925 0.510105 0.085 Uiso 1 1 calc R U . . .
H06G H 0.329794 0.444351 0.534506 0.085 Uiso 1 1 calc R U . . .
C06J C -0.0066(10) 0.8123(6) 0.7403(5) 0.019(3) Uani 1 1 d . . . . .
H06J H 0.029586 0.845715 0.743212 0.022 Uiso 1 1 calc R U . . .
C06K C 0.0564(12) 0.5590(7) 0.5437(5) 0.030(3) Uani 1 1 d . . . . .
C06L C -0.1777(12) 0.5050(7) 0.3120(7) 0.032(3) Uani 1 1 d . . . . .
H06L H -0.218199 0.474759 0.304013 0.039 Uiso 1 1 calc R U . . .
C06M C 0.2137(12) 0.6310(8) 0.2543(6) 0.031(3) Uani 1 1 d . . . . .
H06M H 0.221851 0.635071 0.219850 0.037 Uiso 1 1 calc R U . . .
C06N C -0.3289(12) 0.8529(8) 0.4635(8) 0.039(4) Uani 1 1 d . U . . .
H06N H -0.335155 0.856076 0.428641 0.047 Uiso 1 1 calc R U . . .
O06P O 0.5909(15) 0.5246(9) 0.7449(7) 0.072(5) Uani 1 1 d . . . . .
C06Q C -0.1746(15) 0.9625(8) 0.5861(9) 0.048(4) Uani 1 1 d . . . . .
H06Q H -0.209263 0.993339 0.575476 0.057 Uiso 1 1 calc R U . . .
C06W C 0.3558(11) 0.6177(7) 1.0915(6) 0.024(3) Uani 1 1 d . . . . .
C06Y C 0.2965(13) 0.7581(8) 0.7503(6) 0.034(3) Uani 1 1 d . . . . .
H06Y H 0.304281 0.754981 0.715680 0.041 Uiso 1 1 calc R U . . .
F072 F 0.4029(17) 0.5321(8) 0.7618(7) 0.105(8) Uani 1 1 d . . . . .
C073 C 0.7213(9) 0.8719(6) 0.8644(6) 0.019(3) Uani 1 1 d . . . . .
C074 C 0.3898(10) 0.6126(6) 0.9375(6) 0.023(3) Uani 1 1 d . . . . .
H074 H 0.419135 0.634207 0.963153 0.028 Uiso 1 1 calc R U . . .
C075 C 0.6001(12) 0.6641(10) 1.1494(8) 0.044(5) Uani 1 1 d . . . . .
H075 H 0.550107 0.679514 1.133633 0.053 Uiso 1 1 calc R U . . .
C077 C 0.3434(11) 1.0850(8) 0.9032(7) 0.034(4) Uani 1 1 d . . . . .
H07A H 0.394664 1.081616 0.882864 0.051 Uiso 1 1 calc R U . . .
H07B H 0.325741 1.124940 0.904286 0.051 Uiso 1 1 calc R U . . .
H07C H 0.295721 1.061055 0.888836 0.051 Uiso 1 1 calc R U . . .
C07A C 0.4789(12) 0.5561(7) 1.0915(8) 0.035(3) Uani 1 1 d . . . . .
H07D H 0.531164 0.543925 1.077381 0.042 Uiso 1 1 calc R U . . .
C07C C 0.2274(14) 0.7616(14) 1.1893(8) 0.064(8) Uani 1 1 d . . . . .
H07E H 0.258089 0.779891 1.216338 0.077 Uiso 1 1 calc R U . . .
C07K C 0.7900(11) 0.8670(7) 0.8324(6) 0.028(3) Uani 1 1 d . . . . .
H07K H 0.843983 0.853081 0.844483 0.033 Uiso 1 1 calc R U . . .
C07L C -0.0693(11) 0.8770(7) 0.6179(6) 0.025(3) Uani 1 1 d . . . . .
F07P F 0.4534(13) 0.6008(7) 0.7167(9) 0.091(6) Uani 1 1 d . . . . .
C07R C -0.3497(11) 0.6726(8) 0.3346(8) 0.038(4) Uani 1 1 d . U . . .
H07R H -0.385007 0.650034 0.312087 0.046 Uiso 1 1 calc R U . . .
C07S C 0.4002(13) 0.9374(8) 1.1557(7) 0.034(4) Uani 1 1 d . . . . .
H07S H 0.380672 0.962041 1.180956 0.041 Uiso 1 1 calc R U . . .
C07T C 0.8755(16) 0.8216(10) 1.1244(9) 0.051(5) Uani 1 1 d . . . . .
H07T H 0.878973 0.848236 1.151209 0.061 Uiso 1 1 calc R U . . .
F07V F 0.5703(13) 0.6082(8) 0.5760(7) 0.084(5) Uani 1 1 d . . . . .
C07W C 0.6339(13) 0.9093(9) 0.7962(6) 0.039(4) Uani 1 1 d . . . . .
H07W H 0.580796 0.923978 0.783523 0.047 Uiso 1 1 calc R U . . .
C080 C 0.2334(18) 0.8728(8) 0.3972(7) 0.049(6) Uani 1 1 d . . . . .
H080 H 0.239022 0.905062 0.418791 0.059 Uiso 1 1 calc R U . . .
C083 C 0.2312(10) 0.7699(7) 0.3839(6) 0.027(3) Uani 1 1 d . . . . .
H083 H 0.232245 0.732392 0.396922 0.032 Uiso 1 1 calc R U . . .
C084 C 0.7937(10) 0.9066(7) 0.9598(6) 0.025(3) Uani 1 1 d . . . . .
C086 C 0.7478(14) 0.6131(9) 1.1933(6) 0.040(4) Uani 1 1 d . . . . .
H086 H 0.797916 0.597361 1.208747 0.048 Uiso 1 1 calc R U . . .
C089 C -0.1849(16) 0.5919(10) 0.6097(9) 0.049(5) Uani 1 1 d . . . . .
H089 H -0.237229 0.600203 0.625807 0.059 Uiso 1 1 calc R U . . .
C08A C 0.2291(15) 0.7779(8) 0.3337(7) 0.042(4) Uani 1 1 d . . . . .
H08A H 0.226519 0.745685 0.311900 0.050 Uiso 1 1 calc R U . . .
C08B C -0.1144(14) 0.9079(9) 0.6529(8) 0.042(4) Uani 1 1 d . . . . .
H08B H -0.108328 0.900008 0.687101 0.050 Uiso 1 1 calc R U . . .
C08L C 0.2268(13) 0.7890(8) 0.7681(7) 0.037(4) Uani 1 1 d . . . . .
H08L H 0.186820 0.805576 0.745360 0.045 Uiso 1 1 calc R U . . .
C08M C 0.1418(12) 0.7603(8) 1.1908(6) 0.033(3) Uani 1 1 d . U . . .
H08M H 0.110904 0.781097 1.214678 0.039 Uiso 1 1 calc R U . . .
C08N C 0.1163(13) 0.9082(8) 0.6731(7) 0.036(3) Uani 1 1 d . . . . .
H08N H 0.065415 0.927051 0.682734 0.043 Uiso 1 1 calc R U . . .
C08O C -0.1088(13) 0.7160(7) 0.7351(6) 0.034(4) Uani 1 1 d . . . . .
H08O H -0.143367 0.681842 0.733205 0.041 Uiso 1 1 calc R U . . .
C08Q C -0.3851(15) 0.8820(11) 0.4946(13) 0.070(6) Uani 1 1 d . . . . .
H08Q H -0.426013 0.907957 0.481315 0.084 Uiso 1 1 calc R U . . .
C08S C -0.3617(13) 0.6686(9) 0.3827(9) 0.042(4) Uani 1 1 d . . . . .
H08S H -0.402713 0.641594 0.394683 0.050 Uiso 1 1 calc R U . . .
C08T C 0.1578(15) 0.9511(8) 0.5471(6) 0.036(4) Uani 1 1 d . . . . .
H08T H 0.104721 0.965955 0.558136 0.044 Uiso 1 1 calc R U . . .
C08W C 0.3070(18) 0.9623(11) 0.5365(10) 0.061(6) Uani 1 1 d . . . . .
H08W H 0.358467 0.985404 0.538917 0.073 Uiso 1 1 calc R U . . .
C08Z C 0.8631(13) 0.9419(9) 1.0358(7) 0.040(4) Uani 1 1 d . . . . .
H08Z H 0.876389 0.937639 1.070071 0.048 Uiso 1 1 calc R U . . .
C093 C 0.0943(13) 0.5033(7) 0.5453(6) 0.033(3) Uani 1 1 d . . . . .
H093 H 0.063585 0.472424 0.559747 0.039 Uiso 1 1 calc R U . . .
N094 N 0.0261(9) 0.4918(7) 0.1801(6) 0.034(3) Uani 1 1 d . . . . .
C095 C 0.7044(15) 0.5585(8) 0.9611(7) 0.041(4) Uani 1 1 d . . . . .
H095 H 0.704523 0.526766 0.938869 0.049 Uiso 1 1 calc R U . . .
C098 C 0.2224(12) 0.5374(7) 0.5049(6) 0.029(3) Uani 1 1 d . . . . .
H098 H 0.278457 0.529546 0.493131 0.035 Uiso 1 1 calc R U . . .
N09C N -0.0077(15) 0.9700(9) 0.7891(8) 0.055(5) Uani 1 1 d . . . . .
C09D C -0.0737(14) 0.5270(9) 0.5915(7) 0.042(4) Uani 1 1 d . . . . .
H09D H -0.050640 0.489830 0.594681 0.050 Uiso 1 1 calc R U . . .
C09E C 0.1022(11) 0.6033(7) 0.5196(5) 0.025(3) Uani 1 1 d . . . . .
C09G C 0.0000(17) 0.9027(9) 0.4179(7) 0.047(4) Uani 1 1 d . . . . .
H09G H 0.056314 0.912012 0.431333 0.056 Uiso 1 1 calc R U . . .
C09J C 0.6331(11) 0.6413(7) 0.9924(6) 0.026(3) Uani 1 1 d . . . . .
H09J H 0.585131 0.666048 0.991115 0.031 Uiso 1 1 calc R U . . .
C09N C 0.2795(12) 0.6118(8) 0.2839(7) 0.035(3) Uani 1 1 d . . . . .
H09N H 0.334871 0.605703 0.270389 0.042 Uiso 1 1 calc R U . . .
C09P C -0.2371(12) 0.7443(8) 0.3482(6) 0.032(3) Uani 1 1 d . . . . .
H09P H -0.194626 0.769690 0.335384 0.039 Uiso 1 1 calc R U . . .
C09Q C 0.3179(11) 0.5854(7) 1.1298(6) 0.025(3) Uani 1 1 d . . . . .
H09Q H 0.263085 0.594801 1.142473 0.030 Uiso 1 1 calc R U . . .
C09S C -0.0796(13) 0.8890(9) 0.5676(7) 0.037(4) Uani 1 1 d . . . . .
H09S H -0.049395 0.867446 0.543892 0.044 Uiso 1 1 calc R U . . .
C8 C -0.0714(11) 0.7008(7) 0.2730(6) 0.027(3) Uani 1 1 d . . . . .
H8 H -0.089824 0.663040 0.263650 0.032 Uiso 1 1 calc R U . . .
C9 C 0.2319(11) 0.8182(7) 0.4161(6) 0.026(3) Uani 1 1 d . . . . .
C13 C 0.1206(10) 0.6337(6) 0.3233(6) 0.019(3) Uani 1 1 d . . . . .
C15 C 0.4111(12) 0.7812(9) 0.4608(7) 0.037(4) Uani 1 1 d . . . . .
H15 H 0.401807 0.798040 0.429419 0.044 Uiso 1 1 calc R U . . .
C18 C 0.3610(15) 0.7534(10) 0.5424(7) 0.040(4) Uani 1 1 d . . . . .
H18 H 0.316330 0.750718 0.565706 0.048 Uiso 1 1 calc R U . . .
C31 C 0.2318(17) 0.9843(9) 0.5517(7) 0.047(4) Uani 1 1 d . . . . .
H31 H 0.230525 1.021870 0.565283 0.057 Uiso 1 1 calc R U . . .
C39 C 0.227(2) 0.8800(11) 0.3474(8) 0.068(9) Uani 1 1 d . . . . .
H39 H 0.219282 0.917214 0.334527 0.081 Uiso 1 1 calc R U . . .
C42 C 0.4402(16) 0.7327(12) 0.5533(9) 0.057(6) Uani 1 1 d . . . . .
H42 H 0.451276 0.716677 0.584830 0.068 Uiso 1 1 calc R U . . .
C43 C 0.5079(15) 0.7344(12) 0.5181(9) 0.058(6) Uani 1 1 d . . . . .
H43 H 0.563494 0.719493 0.525912 0.070 Uiso 1 1 calc R U . . .
C45 C 0.4904(14) 0.7582(11) 0.4731(9) 0.051(5) Uani 1 1 d . . . . .
H45 H 0.534599 0.758819 0.449336 0.061 Uiso 1 1 calc R U . . .
C48 C -0.1328(15) 0.9316(9) 0.5524(9) 0.048(5) Uani 1 1 d . . . . .
H48 H -0.140412 0.939355 0.518158 0.058 Uiso 1 1 calc R U . . .
C49 C 0.3117(15) 0.9076(10) 0.5175(8) 0.044(5) Uani 1 1 d . . . . .
H49 H 0.366208 0.892733 0.508844 0.052 Uiso 1 1 calc R U . . .
C1 C 0.5535(11) 0.6445(7) 0.8400(7) 0.031(4) Uani 1 1 d . . . . .
H1 H 0.522633 0.611580 0.850871 0.037 Uiso 1 1 calc R U . . .
C11 C 0.6340(13) 0.6384(9) 0.8170(8) 0.040(5) Uani 1 1 d . . . . .
H11 H 0.657764 0.601685 0.812327 0.048 Uiso 1 1 calc R U . . .
C27 C 0.9401(13) 0.7774(11) 1.0550(9) 0.053(5) Uani 1 1 d . . . . .
H27 H 0.986770 0.773221 1.033197 0.064 Uiso 1 1 calc R U . . .
C34 C 0.9479(14) 0.8164(10) 1.0929(9) 0.052(5) Uani 1 1 d . . . . .
H34 H 0.999345 0.839175 1.098129 0.062 Uiso 1 1 calc R U . . .
C32 C -0.3794(16) 0.8719(10) 0.5463(12) 0.070(6) Uani 1 1 d . . . . .
H32 H -0.418691 0.891143 0.566855 0.084 Uiso 1 1 calc R U . . .
C37 C -0.1524(15) 0.5383(10) 0.6121(8) 0.047(4) Uani 1 1 d . . . . .
H37 H -0.183893 0.508682 0.627901 0.057 Uiso 1 1 calc R U . . .
C44 C -0.3175(17) 0.8341(12) 0.5697(12) 0.071(6) Uani 1 1 d . . . . .
H44 H -0.312220 0.828441 0.604345 0.086 Uiso 1 1 calc R U . . .
O26 O 0.5068(13) 0.4477(8) 0.7063(7) 0.068(5) Uani 1 1 d . . . . .
C36 C 0.438(2) 0.5457(12) 0.7177(9) 0.063(7) Uani 1 1 d . . . . .
O25 O 0.0144(18) 1.0777(9) 0.8024(10) 0.097(8) Uani 1 1 d . . . . .
F15 F 0.1729(13) 0.9264(7) 0.7994(5) 0.070(4) Uani 1 1 d . . . . .
F18 F 0.1887(11) 0.9483(12) 0.8760(8) 0.104(7) Uani 1 1 d . . . . .
F20 F -0.1573(17) 1.0969(8) 0.7787(9) 0.112(8) Uani 1 1 d . . . . .
F21 F 0.1751(11) 1.0160(9) 0.8267(11) 0.112(8) Uani 1 1 d . . . . .
F28 F -0.1571(16) 1.0290(11) 0.8305(10) 0.134(11) Uani 1 1 d . . . . .
F38 F -0.182(2) 1.0147(12) 0.7560(12) 0.145(13) Uani 1 1 d . . . . .
C2 C -0.137(2) 1.0438(14) 0.7870(16) 0.092(12) Uani 1 1 d . . . . .
S1 S 0.4679(5) 0.9672(3) 1.2974(3) 0.0630(17) Uani 1 1 d D . . . .
S2 S 0.6218(5) 0.9081(4) 1.3079(3) 0.075(2) Uani 1 1 d . . . . .
N13 N 0.5202(17) 0.9101(10) 1.2991(10) 0.079(7) Uani 1 1 d . . . . .
C29 C 0.1495(15) 0.9620(11) 0.8334(12) 0.054(7) Uani 1 1 d . . . . .
O8 O 0.3809(15) 0.9575(14) 1.2779(8) 0.104(8) Uani 1 1 d . . . . .
O11 O 0.5101(19) 1.0160(11) 1.2788(9) 0.092(7) Uani 1 1 d . . . . .
O23 O 0.6613(14) 0.9569(9) 1.3305(10) 0.079(7) Uani 1 1 d . . . . .
O1 O 0.6423(19) 0.8513(11) 1.3266(13) 0.118(9) Uani 1 1 d . U . . .
C26 C 0.460(2) 0.985(2) 1.3624(8) 0.094(7) Uani 1 1 d D . . . .
F14 F 0.5213(18) 1.0084(15) 1.3836(11) 0.137(10) Uani 1 1 d . . . . .
F2 F 0.634(2) 0.8601(14) 1.2160(11) 0.154(13) Uani 1 1 d D . . . .
F1 F 0.640(3) 0.9570(17) 1.2203(11) 0.179(15) Uani 1 1 d D . . . .
F22 F 0.7527(16) 0.8979(17) 1.2443(16) 0.183(16) Uani 1 1 d D . . . .
F27 F 0.438(3) 0.943(2) 1.3898(12) 0.211(15) Uani 1 1 d . . . . .
F29 F 0.3873(18) 1.0138(17) 1.3667(11) 0.158(11) Uani 1 1 d . . . . .
C7 C 0.8166(12) 0.8986(9) 1.0098(7) 0.032(3) Uani 1 1 d . . . . .
H7 H 0.800577 0.864149 1.025696 0.038 Uiso 1 1 calc R U . . .
C61 C 0.665(2) 0.9075(15) 1.2432(17) 0.125(16) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au01 Au02 2.7825(8) . ?
Au01 Au04 3.0472(8) . ?
Au01 P00N 2.277(3) . ?
Au01 C01U 2.214(12) . ?
Au02 Au05 2.9791(7) . ?
Au02 P00F 2.290(3) . ?
Au02 C01U 2.125(14) . ?
Au03 Au06 2.7953(8) . ?
Au03 Au08 3.0332(8) . ?
Au03 P00P 2.284(4) . ?
Au03 C03X 2.115(16) . ?
Au04 Au05 2.7859(8) . ?
Au04 P00O 2.283(4) . ?
Au04 C019 2.108(14) . ?
Au05 P00L 2.272(3) . ?
Au05 C019 2.177(13) . ?
Au06 Au07 2.9581(8) . ?
Au06 P00I 2.276(3) . ?
Au06 C03X 2.229(14) . ?
Au07 Au08 2.7587(8) . ?
Au07 P00Q 2.282(4) . ?
Au07 C01N 2.110(17) . ?
Au08 P00K 2.285(4) . ?
Au08 C01N 2.162(19) . ?
P00F C02Y 1.805(14) . ?
P00F C04X 1.797(15) . ?
P00F C067 1.816(15) . ?
P00I C02A 1.793(15) . ?
P00I C02N 1.806(15) . ?
P00I C13 1.823(16) . ?
P00K C026 1.788(18) . ?
P00K C02S 1.827(13) . ?
P00K C07L 1.836(17) . ?
P00L C023 1.846(15) . ?
P00L C02L 1.798(15) . ?
P00L C06W 1.826(15) . ?
P00N C056 1.829(15) . ?
P00N C073 1.807(16) . ?
P00N C084 1.793(16) . ?
P00O C031 1.810(14) . ?
P00O C046 1.835(15) . ?
P00O C05A 1.842(16) . ?
P00P C05C 1.791(16) . ?
P00P C069 1.807(19) . ?
P00P C9 1.828(16) . ?
P00Q C021 1.829(14) . ?
P00Q C02T 1.810(17) . ?
P00Q C057 1.823(16) . ?
S00R O02F 1.452(16) . ?
S00R O04J 1.434(15) . ?
S00R C058 1.78(2) . ?
S00R N094 1.585(15) . ?
S00S O03H 1.406(16) . ?
S00S C041 1.81(2) . ?
S00S O042 1.430(17) . ?
S00S N094 1.553(15) . ?
S00T O035 1.43(2) . ?
S00T O03I 1.44(2) . ?
S00T N09C 1.58(2) . ?
S00T C29 1.82(2) . ?
S00U O01V 1.419(18) . ?
S00U O034 1.40(2) . ?
S00U C04T 1.88(3) . ?
S00U N05Q 1.56(2) . ?
S010 N05Q 1.54(2) . ?
S010 O06P 1.391(19) . ?
S010 O26 1.403(19) . ?
S010 C36 1.80(3) . ?
S011 O06H 1.41(2) . ?
S011 N09C 1.56(2) . ?
S011 O25 1.40(2) . ?
S011 C2 1.84(4) . ?
O016 C02K 1.358(18) . ?
O016 C05R 1.431(17) . ?
C018 H018 0.9500 . ?
C018 C02A 1.44(2) . ?
C018 C02Z 1.40(2) . ?
C019 C01U 1.417(19) . ?
C019 C055 1.454(18) . ?
C01A H01A 0.9500 . ?
C01A C026 1.40(3) . ?
C01A C02J 1.37(3) . ?
O01C C01X 1.32(2) . ?
O01C C04R 1.43(2) . ?
C01F H01F 0.9500 . ?
C01F C01W 1.38(2) . ?
C01F C02N 1.38(2) . ?
C01N C03A 1.49(2) . ?
C01N C03X 1.39(2) . ?
O01P C043 1.38(2) . ?
O01P C06I 1.44(3) . ?
C01T C01U 1.45(2) . ?
C01T C02K 1.45(2) . ?
C01T C02W 1.424(19) . ?
C01W H01W 0.9500 . ?
C01W C06L 1.41(2) . ?
C01X C098 1.41(2) . ?
C01X C09E 1.44(2) . ?
C01Z H01Z 0.9500 . ?
C01Z C05D 1.36(3) . ?
C01Z C09Q 1.39(2) . ?
F020 C041 1.32(2) . ?
C021 C044 1.40(2) . ?
C021 C06N 1.39(2) . ?
C022 H022 0.9500 . ?
C022 C03J 1.39(2) . ?
C022 C8 1.41(2) . ?
C023 C02V 1.36(2) . ?
C023 C05M 1.37(2) . ?
C025 C03A 1.44(3) . ?
C025 C06K 1.44(3) . ?
C025 C09D 1.43(2) . ?
C026 C08N 1.43(3) . ?
F027 C04T 1.28(3) . ?
F028 C041 1.37(2) . ?
C029 H029 0.9500 . ?
C029 C03C 1.42(2) . ?
C029 C047 1.40(2) . ?
C02A C8 1.37(2) . ?
C02B H02B 0.9500 . ?
C02B C06W 1.39(2) . ?
C02B C07A 1.40(2) . ?
C02C H02C 0.9500 . ?
C02C C02J 1.40(3) . ?
C02C C04H 1.40(4) . ?
C02D H02D 0.9500 . ?
C02D C02Q 1.39(2) . ?
C02D C02W 1.39(2) . ?
C02E H02E 0.9500 . ?
C02E C02X 1.41(2) . ?
C02E C056 1.39(2) . ?
C02G H02G 0.9500 . ?
C02G C03T 1.36(2) . ?
C02G C055 1.43(2) . ?
C02J H02J 0.9500 . ?
C02K C04Q 1.36(2) . ?
C02L C047 1.39(2) . ?
C02L C05S 1.42(2) . ?
C02N C04B 1.42(2) . ?
F02O C058 1.36(3) . ?
C02Q O03Z 1.343(19) . ?
C02Q C04Q 1.41(2) . ?
C02R H02R 0.9500 . ?
C02R C02Y 1.42(2) . ?
C02R C03D 1.44(2) . ?
C02S C032 1.33(2) . ?
C02S C06J 1.416(18) . ?
C02T C03K 1.40(3) . ?
C02T C052 1.36(2) . ?
C02U H02U 0.9500 . ?
C02U C03V 1.39(2) . ?
C02U C04X 1.42(2) . ?
C02V H02V 0.9500 . ?
C02V C03Y 1.39(2) . ?
C02W C04C 1.49(2) . ?
C02X H02X 0.9500 . ?
C02X C05F 1.35(3) . ?
C02Y C074 1.40(2) . ?
C02Z H02Z 0.9500 . ?
C02Z C03J 1.38(2) . ?
C031 C045 1.41(2) . ?
C031 C09J 1.40(2) . ?
C032 H032 0.9500 . ?
C032 C08O 1.40(2) . ?
F033 C058 1.37(3) . ?
C03A C04G 1.37(3) . ?
C03C H03C 0.9500 . ?
C03C C06A 1.32(2) . ?
C03D H03D 0.9500 . ?
C03D C048 1.35(3) . ?
C03J H03J 0.9500 . ?
C03K H03K 0.9500 . ?
C03K C09G 1.41(3) . ?
C03L H03L 0.9500 . ?
C03L C05F 1.36(3) . ?
C03L C06C 1.40(3) . ?
C03O H03O 0.9500 . ?
C03O C04F 1.42(3) . ?
C03O C075 1.46(3) . ?
C03P H03P 0.9500 . ?
C03P C04X 1.410(19) . ?
C03P C06Y 1.39(2) . ?
C03R H03R 0.9500 . ?
C03R C06M 1.39(2) . ?
C03R C13 1.38(2) . ?
C03T H03T 0.9500 . ?
C03T C07S 1.44(2) . ?
C03U H03U 0.9500 . ?
C03U C04A 1.41(2) . ?
C03U C067 1.40(2) . ?
C03V H03V 0.9500 . ?
C03V C08L 1.38(3) . ?
C03X C09E 1.46(2) . ?
C03Y H03Y 0.9500 . ?
C03Y C08M 1.39(3) . ?
O03Z C077 1.43(2) . ?
C040 H040 0.9500 . ?
C040 C057 1.38(2) . ?
C040 C08S 1.41(3) . ?
C041 F04D 1.31(2) . ?
C043 C093 1.32(3) . ?
C043 C098 1.40(3) . ?
C044 H044 0.9500 . ?
C044 C44 1.41(3) . ?
C045 H045 0.9500 . ?
C045 C059 1.40(3) . ?
C046 C04O 1.44(2) . ?
C046 C075 1.38(3) . ?
C047 H047 0.9500 . ?
C048 H048 0.9500 . ?
C048 C05B 1.42(2) . ?
C049 H049 0.9500 . ?
C049 C05X 1.32(3) . ?
C049 C08O 1.34(2) . ?
C04A H04A 0.9500 . ?
C04A C04I 1.34(3) . ?
C04B H04B 0.9500 . ?
C04B C065 1.39(2) . ?
C04C C055 1.41(2) . ?
C04C C05V 1.40(2) . ?
F04E C04T 1.32(3) . ?
C04F H04F 0.9500 . ?
C04F C086 1.35(3) . ?
C04G H04G 0.9500 . ?
C04G C089 1.42(2) . ?
C04H H04H 0.9500 . ?
C04H C08N 1.37(3) . ?
C04I H04I 0.9500 . ?
C04I C11 1.38(3) . ?
C04M H04M 0.9500 . ?
C04M C05U 1.39(2) . ?
C04M C062 1.40(3) . ?
C04O H04O 0.9500 . ?
C04O C086 1.36(2) . ?
C04Q H04Q 0.9500 . ?
C04R H04C 0.9800 . ?
C04R H04D 0.9800 . ?
C04R H04E 0.9800 . ?
C04T F07V 1.35(4) . ?
C04U H04U 0.9500 . ?
C04U C052 1.38(3) . ?
C04U C05I 1.36(3) . ?
F050 C058 1.34(2) . ?
C052 H052 0.9500 . ?
F054 C36 1.34(3) . ?
C056 C06C 1.40(2) . ?
C057 C09P 1.41(2) . ?
C059 H059 0.9500 . ?
C059 C095 1.42(3) . ?
C05A C05E 1.34(3) . ?
C05A C05Z 1.41(2) . ?
C05B H05B 0.9500 . ?
C05B C074 1.36(2) . ?
C05C C05W 1.39(3) . ?
C05C C49 1.40(3) . ?
C05D H05D 0.9500 . ?
C05D C07A 1.40(3) . ?
C05E H05E 0.9500 . ?
C05E C07T 1.36(3) . ?
C05F H05F 0.9500 . ?
C05G H05G 0.9500 . ?
C05G C095 1.38(3) . ?
C05G C09J 1.38(2) . ?
C05H H05I 0.9500 . ?
C05H C05Y 1.41(2) . ?
C05H C09N 1.39(3) . ?
C05I H05J 0.9500 . ?
C05I C09G 1.34(3) . ?
C05L H05L 0.9500 . ?
C05L C05T 1.41(3) . ?
C05L C07W 1.36(3) . ?
C05M H05M 0.9500 . ?
C05M C07C 1.39(2) . ?
C05O H05O 0.9500 . ?
C05O C073 1.43(2) . ?
C05O C07W 1.39(2) . ?
C05R H05A 0.9800 . ?
C05R H05C 0.9800 . ?
C05R H05H 0.9800 . ?
C05S H05S 0.9500 . ?
C05S C06A 1.40(2) . ?
C05T H05T 0.9500 . ?
C05T C07K 1.35(2) . ?
C05U H05U 0.9500 . ?
C05U C084 1.40(2) . ?
C05V H05V 0.9500 . ?
C05V C07S 1.31(2) . ?
C05W H05W 0.9500 . ?
C05W C08T 1.41(3) . ?
C05X H05X 0.9500 . ?
C05X C06J 1.35(2) . ?
C05Y H05Y 0.9500 . ?
C05Y C13 1.40(2) . ?
C05Z H05Z 0.9500 . ?
C05Z C27 1.43(3) . ?
C062 H062 0.9500 . ?
C062 C08Z 1.37(3) . ?
C065 H065 0.9500 . ?
C065 C06L 1.39(3) . ?
C067 C1 1.36(2) . ?
C068 H068 0.9500 . ?
C068 C08A 1.38(3) . ?
C068 C39 1.42(3) . ?
C069 C15 1.40(3) . ?
C069 C18 1.45(3) . ?
C06A H06A 0.9500 . ?
C06C H06C 0.9500 . ?
C06D H06D 0.9500 . ?
C06D C07R 1.38(3) . ?
C06D C09P 1.38(2) . ?
C06E H06E 0.9500 . ?
C06E C06Q 1.39(4) . ?
C06E C08B 1.38(3) . ?
C06I H06B 0.9800 . ?
C06I H06F 0.9800 . ?
C06I H06G 0.9800 . ?
C06J H06J 0.9500 . ?
C06K C093 1.44(2) . ?
C06K C09E 1.42(2) . ?
C06L H06L 0.9500 . ?
C06M H06M 0.9500 . ?
C06M C09N 1.36(3) . ?
C06N H06N 0.9500 . ?
C06N C08Q 1.41(3) . ?
C06Q H06Q 0.9500 . ?
C06Q C48 1.35(3) . ?
C06W C09Q 1.42(2) . ?
C06Y H06Y 0.9500 . ?
C06Y C08L 1.40(3) . ?
F072 C36 1.36(3) . ?
C073 C07K 1.39(2) . ?
C074 H074 0.9500 . ?
C075 H075 0.9500 . ?
C077 H07A 0.9800 . ?
C077 H07B 0.9800 . ?
C077 H07C 0.9800 . ?
C07A H07D 0.9500 . ?
C07C H07E 0.9500 . ?
C07C C08M 1.32(3) . ?
C07K H07K 0.9500 . ?
C07L C08B 1.40(2) . ?
C07L C09S 1.40(2) . ?
F07P C36 1.31(3) . ?
C07R H07R 0.9500 . ?
C07R C08S 1.32(3) . ?
C07S H07S 0.9500 . ?
C07T H07T 0.9500 . ?
C07T C34 1.43(4) . ?
C07W H07W 0.9500 . ?
C080 H080 0.9500 . ?
C080 C9 1.38(3) . ?
C080 C39 1.36(3) . ?
C083 H083 0.9500 . ?
C083 C08A 1.37(2) . ?
C083 C9 1.42(2) . ?
C084 C7 1.40(2) . ?
C086 H086 0.9500 . ?
C089 H089 0.9500 . ?
C089 C37 1.36(3) . ?
C08A H08A 0.9500 . ?
C08B H08B 0.9500 . ?
C08L H08L 0.9500 . ?
C08M H08M 0.9500 . ?
C08N H08N 0.9500 . ?
C08O H08O 0.9500 . ?
C08Q H08Q 0.9500 . ?
C08Q C32 1.42(5) . ?
C08S H08S 0.9500 . ?
C08T H08T 0.9500 . ?
C08T C31 1.37(3) . ?
C08W H08W 0.9500 . ?
C08W C31 1.35(4) . ?
C08W C49 1.38(3) . ?
C08Z H08Z 0.9500 . ?
C08Z C7 1.40(3) . ?
C093 H093 0.9500 . ?
C095 H095 0.9500 . ?
C098 H098 0.9500 . ?
C09D H09D 0.9500 . ?
C09D C37 1.38(3) . ?
C09G H09G 0.9500 . ?
C09J H09J 0.9500 . ?
C09N H09N 0.9500 . ?
C09P H09P 0.9500 . ?
C09Q H09Q 0.9500 . ?
C09S H09S 0.9500 . ?
C09S C48 1.36(3) . ?
C8 H8 0.9500 . ?
C15 H15 0.9500 . ?
C15 C45 1.38(3) . ?
C18 H18 0.9500 . ?
C18 C42 1.35(3) . ?
C31 H31 0.9500 . ?
C39 H39 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.43(4) . ?
C43 H43 0.9500 . ?
C43 C45 1.37(3) . ?
C45 H45 0.9500 . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C1 H1 0.9500 . ?
C1 C11 1.41(2) . ?
C11 H11 0.9500 . ?
C27 H27 0.9500 . ?
C27 C34 1.36(4) . ?
C34 H34 0.9500 . ?
C32 H32 0.9500 . ?
C32 C44 1.45(5) . ?
C37 H37 0.9500 . ?
C44 H44 0.9500 . ?
F15 C29 1.30(3) . ?
F18 C29 1.33(4) . ?
F20 C2 1.31(3) . ?
F21 C29 1.33(3) . ?
F28 C2 1.28(4) . ?
F38 C2 1.26(5) . ?
S1 N13 1.58(3) . ?
S1 O8 1.44(2) . ?
S1 O11 1.41(3) . ?
S1 C26 1.810(19) . ?
S2 N13 1.58(3) . ?
S2 O23 1.41(2) . ?
S2 O1 1.46(3) . ?
S2 C61 1.89(5) . ?
C26 F14 1.21(4) . ?
C26 F27 1.28(5) . ?
C26 F29 1.33(5) . ?
F2 C61 1.39(2) . ?
F1 C61 1.38(2) . ?
F22 C61 1.38(2) . ?
C7 H7 0.9500 . ?

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 77.29(2) . . ?
P00N Au01 Au02 140.11(9) . . ?
P00N Au01 Au04 121.51(9) . . ?
C01U Au01 Au02 48.7(4) . . ?
C01U Au01 Au04 67.3(4) . . ?
C01U Au01 P00N 166.2(4) . . ?
Au01 Au02 Au05 98.60(2) . . ?
P00F Au02 Au01 126.84(9) . . ?
P00F Au02 Au05 121.86(9) . . ?
C01U Au02 Au01 51.5(3) . . ?
C01U Au02 Au05 65.7(4) . . ?
C01U Au02 P00F 171.5(4) . . ?
Au06 Au03 Au08 96.84(2) . . ?
P00P Au03 Au06 126.31(9) . . ?
P00P Au03 Au08 122.95(10) . . ?
C03X Au03 Au06 51.8(4) . . ?
C03X Au03 Au08 65.3(4) . . ?
C03X Au03 P00P 170.9(5) . . ?
Au05 Au04 Au01 96.93(2) . . ?
P00O Au04 Au01 113.67(9) . . ?
P00O Au04 Au05 133.30(9) . . ?
C019 Au04 Au01 65.9(4) . . ?
C019 Au04 Au05 50.5(4) . . ?
C019 Au04 P00O 175.6(4) . . ?
Au04 Au05 Au02 78.39(2) . . ?
P00L Au05 Au02 123.94(9) . . ?
P00L Au05 Au04 137.66(9) . . ?
C019 Au05 Au02 68.9(3) . . ?
C019 Au05 Au04 48.4(4) . . ?
C019 Au05 P00L 164.3(3) . . ?
Au03 Au06 Au07 77.89(2) . . ?
P00I Au06 Au03 141.03(10) . . ?
P00I Au06 Au07 121.71(10) . . ?
C03X Au06 Au03 48.2(4) . . ?
C03X Au06 Au07 68.6(4) . . ?
C03X Au06 P00I 164.5(4) . . ?
Au08 Au07 Au06 99.43(2) . . ?
P00Q Au07 Au06 114.17(10) . . ?
P00Q Au07 Au08 130.15(10) . . ?
C01N Au07 Au06 66.6(5) . . ?
C01N Au07 Au08 50.6(5) . . ?
C01N Au07 P00Q 178.3(5) . . ?
Au07 Au08 Au03 77.17(2) . . ?
P00K Au08 Au03 123.30(10) . . ?
P00K Au08 Au07 135.61(10) . . ?
C01N Au08 Au03 66.9(5) . . ?
C01N Au08 Au07 49.0(5) . . ?
C01N Au08 P00K 167.9(5) . . ?
C02Y P00F Au02 120.8(5) . . ?
C02Y P00F C067 105.4(6) . . ?
C04X P00F Au02 108.4(5) . . ?
C04X P00F C02Y 107.2(7) . . ?
C04X P00F C067 106.2(7) . . ?
C067 P00F Au02 107.9(5) . . ?
C02A P00I Au06 115.6(5) . . ?
C02A P00I C02N 104.5(7) . . ?
C02A P00I C13 104.9(7) . . ?
C02N P00I Au06 113.1(5) . . ?
C02N P00I C13 107.4(7) . . ?
C13 P00I Au06 110.7(5) . . ?
C026 P00K Au08 116.5(6) . . ?
C026 P00K C02S 108.3(6) . . ?
C026 P00K C07L 106.0(8) . . ?
C02S P00K Au08 107.6(4) . . ?
C02S P00K C07L 107.9(7) . . ?
C07L P00K Au08 110.3(5) . . ?
C023 P00L Au05 107.6(6) . . ?
C02L P00L Au05 116.8(5) . . ?
C02L P00L C023 105.9(7) . . ?
C02L P00L C06W 108.2(8) . . ?
C06W P00L Au05 109.5(6) . . ?
C06W P00L C023 108.4(7) . . ?
C056 P00N Au01 115.2(5) . . ?
C073 P00N Au01 111.2(5) . . ?
C073 P00N C056 104.2(7) . . ?
C084 P00N Au01 113.2(5) . . ?
C084 P00N C056 106.1(7) . . ?
C084 P00N C073 106.3(7) . . ?
C031 P00O Au04 112.6(5) . . ?
C031 P00O C046 104.0(7) . . ?
C031 P00O C05A 110.7(7) . . ?
C046 P00O Au04 113.9(6) . . ?
C046 P00O C05A 103.1(7) . . ?
C05A P00O Au04 111.9(5) . . ?
C05C P00P Au03 122.7(6) . . ?
C05C P00P C069 104.0(8) . . ?
C05C P00P C9 104.9(7) . . ?
C069 P00P Au03 108.8(6) . . ?
C069 P00P C9 104.4(8) . . ?
C9 P00P Au03 110.5(5) . . ?
C021 P00Q Au07 112.8(6) . . ?
C02T P00Q Au07 113.3(6) . . ?
C02T P00Q C021 103.1(7) . . ?
C02T P00Q C057 108.8(8) . . ?
C057 P00Q Au07 112.4(5) . . ?
C057 P00Q C021 105.7(7) . . ?
O02F S00R C058 103.3(10) . . ?
O02F S00R N094 115.5(9) . . ?
O04J S00R O02F 118.1(10) . . ?
O04J S00R C058 101.3(11) . . ?
O04J S00R N094 112.3(9) . . ?
N094 S00R C058 103.4(11) . . ?
O03H S00S C041 107.1(12) . . ?
O03H S00S O042 118.0(12) . . ?
O03H S00S N094 116.0(10) . . ?
O042 S00S C041 105.7(11) . . ?
O042 S00S N094 108.7(10) . . ?
N094 S00S C041 99.0(9) . . ?
O035 S00T O03I 118.3(18) . . ?
O035 S00T N09C 115.0(12) . . ?
O035 S00T C29 104.7(14) . . ?
O03I S00T N09C 109.2(12) . . ?
O03I S00T C29 104.0(15) . . ?
N09C S00T C29 104.0(14) . . ?
O01V S00U C04T 100.3(12) . . ?
O01V S00U N05Q 108.4(11) . . ?
O034 S00U O01V 124.7(14) . . ?
O034 S00U C04T 103.2(15) . . ?
O034 S00U N05Q 115.2(13) . . ?
N05Q S00U C04T 100.8(12) . . ?
N05Q S010 C36 105.3(11) . . ?
O06P S010 N05Q 109.7(12) . . ?
O06P S010 O26 118.3(12) . . ?
O06P S010 C36 102.9(14) . . ?
O26 S010 N05Q 113.4(13) . . ?
O26 S010 C36 105.7(14) . . ?
O06H S011 N09C 110.7(19) . . ?
O06H S011 C2 101(2) . . ?
N09C S011 C2 103.0(12) . . ?
O25 S011 O06H 120(2) . . ?
O25 S011 N09C 119.1(14) . . ?
O25 S011 C2 97.9(19) . . ?
C02K O016 C05R 119.5(12) . . ?
C02A C018 H018 121.2 . . ?
C02Z C018 H018 121.2 . . ?
C02Z C018 C02A 117.5(14) . . ?
Au04 C019 Au05 81.1(5) . . ?
C01U C019 Au04 115.0(9) . . ?
C01U C019 Au05 103.4(9) . . ?
C01U C019 C055 119.3(12) . . ?
C055 C019 Au04 119.7(10) . . ?
C055 C019 Au05 108.9(10) . . ?
C026 C01A H01A 120.1 . . ?
C02J C01A H01A 120.1 . . ?
C02J C01A C026 119.8(19) . . ?
C01X O01C C04R 118.6(14) . . ?
C01W C01F H01F 118.9 . . ?
C01W C01F C02N 122.2(16) . . ?
C02N C01F H01F 118.9 . . ?
Au07 C01N Au08 80.4(6) . . ?
C03A C01N Au07 115.8(12) . . ?
C03A C01N Au08 112.5(12) . . ?
C03X C01N Au07 115.3(11) . . ?
C03X C01N Au08 106.4(12) . . ?
C03X C01N C03A 119.1(16) . . ?
C043 O01P C06I 118.7(17) . . ?
C01U C01T C02K 123.0(12) . . ?
C02W C01T C01U 121.2(13) . . ?
C02W C01T C02K 115.8(13) . . ?
Au02 C01U Au01 79.8(4) . . ?
C019 C01U Au01 104.5(9) . . ?
C019 C01U Au02 113.8(10) . . ?
C019 C01U C01T 120.1(12) . . ?
C01T C01U Au01 108.2(9) . . ?
C01T C01U Au02 120.4(10) . . ?
C01F C01W H01W 120.8 . . ?
C01F C01W C06L 118.5(16) . . ?
C06L C01W H01W 120.8 . . ?
O01C C01X C098 122.4(16) . . ?
O01C C01X C09E 117.1(14) . . ?
C098 C01X C09E 120.5(16) . . ?
C05D C01Z H01Z 118.9 . . ?
C05D C01Z C09Q 122.3(18) . . ?
C09Q C01Z H01Z 118.9 . . ?
C044 C021 P00Q 118.3(13) . . ?
C06N C021 P00Q 122.5(13) . . ?
C06N C021 C044 118.6(15) . . ?
C03J C022 H022 119.2 . . ?
C03J C022 C8 121.6(16) . . ?
C8 C022 H022 119.2 . . ?
C02V C023 P00L 123.4(12) . . ?
C02V C023 C05M 121.0(14) . . ?
C05M C023 P00L 115.6(12) . . ?
C06K C025 C03A 120.2(15) . . ?
C09D C025 C03A 116.6(17) . . ?
C09D C025 C06K 123.2(17) . . ?
C01A C026 P00K 120.0(13) . . ?
C01A C026 C08N 118.3(17) . . ?
C08N C026 P00K 121.7(14) . . ?
C03C C029 H029 121.1 . . ?
C047 C029 H029 121.1 . . ?
C047 C029 C03C 117.8(16) . . ?
C018 C02A P00I 119.1(11) . . ?
C8 C02A P00I 121.0(11) . . ?
C8 C02A C018 119.6(14) . . ?
C06W C02B H02B 120.5 . . ?
C06W C02B C07A 119.0(17) . . ?
C07A C02B H02B 120.5 . . ?
C02J C02C H02C 120.7 . . ?
C04H C02C H02C 120.7 . . ?
C04H C02C C02J 118.7(19) . . ?
C02Q C02D H02D 119.5 . . ?
C02Q C02D C02W 121.1(13) . . ?
C02W C02D H02D 119.5 . . ?
C02X C02E H02E 121.0 . . ?
C056 C02E H02E 121.0 . . ?
C056 C02E C02X 118.0(15) . . ?
C03T C02G H02G 119.6 . . ?
C03T C02G C055 120.8(16) . . ?
C055 C02G H02G 119.6 . . ?
C01A C02J C02C 122(2) . . ?
C01A C02J H02J 118.9 . . ?
C02C C02J H02J 118.9 . . ?
O016 C02K C01T 116.6(13) . . ?
O016 C02K C04Q 121.1(14) . . ?
C04Q C02K C01T 122.2(13) . . ?
C047 C02L P00L 122.0(11) . . ?
C047 C02L C05S 118.8(14) . . ?
C05S C02L P00L 119.1(12) . . ?
C01F C02N P00I 120.4(12) . . ?
C01F C02N C04B 119.3(14) . . ?
C04B C02N P00I 120.3(12) . . ?
C02D C02Q C04Q 119.3(14) . . ?
O03Z C02Q C02D 115.3(13) . . ?
O03Z C02Q C04Q 125.4(14) . . ?
C02Y C02R H02R 121.0 . . ?
C02Y C02R C03D 118.1(15) . . ?
C03D C02R H02R 121.0 . . ?
C032 C02S P00K 119.5(10) . . ?
C032 C02S C06J 117.9(12) . . ?
C06J C02S P00K 122.3(10) . . ?
C03K C02T P00Q 117.1(13) . . ?
C052 C02T P00Q 126.3(15) . . ?
C052 C02T C03K 116.3(16) . . ?
C03V C02U H02U 118.9 . . ?
C03V C02U C04X 122.1(16) . . ?
C04X C02U H02U 118.9 . . ?
C023 C02V H02V 120.6 . . ?
C023 C02V C03Y 118.7(16) . . ?
C03Y C02V H02V 120.6 . . ?
C01T C02W C04C 118.3(13) . . ?
C02D C02W C01T 121.2(14) . . ?
C02D C02W C04C 120.5(13) . . ?
C02E C02X H02X 120.3 . . ?
C05F C02X C02E 119.5(16) . . ?
C05F C02X H02X 120.3 . . ?
C02R C02Y P00F 119.1(11) . . ?
C074 C02Y P00F 120.5(11) . . ?
C074 C02Y C02R 120.4(13) . . ?
C018 C02Z H02Z 118.2 . . ?
C03J C02Z C018 123.6(14) . . ?
C03J C02Z H02Z 118.2 . . ?
C045 C031 P00O 121.8(12) . . ?
C09J C031 P00O 119.3(11) . . ?
C09J C031 C045 118.5(14) . . ?
C02S C032 H032 119.3 . . ?
C02S C032 C08O 121.4(14) . . ?
C08O C032 H032 119.3 . . ?
C025 C03A C01N 119.0(16) . . ?
C04G C03A C01N 120.6(17) . . ?
C04G C03A C025 120.3(16) . . ?
C029 C03C H03C 119.1 . . ?
C06A C03C C029 121.8(16) . . ?
C06A C03C H03C 119.1 . . ?
C02R C03D H03D 120.0 . . ?
C048 C03D C02R 120.1(16) . . ?
C048 C03D H03D 120.0 . . ?
C022 C03J H03J 121.4 . . ?
C02Z C03J C022 117.2(15) . . ?
C02Z C03J H03J 121.4 . . ?
C02T C03K H03K 120.1 . . ?
C02T C03K C09G 119.8(19) . . ?
C09G C03K H03K 120.1 . . ?
C05F C03L H03L 120.2 . . ?
C05F C03L C06C 119.7(17) . . ?
C06C C03L H03L 120.2 . . ?
C04F C03O H03O 119.5 . . ?
C04F C03O C075 120.9(18) . . ?
C075 C03O H03O 119.5 . . ?
C04X C03P H03P 120.1 . . ?
C06Y C03P H03P 120.1 . . ?
C06Y C03P C04X 119.8(16) . . ?
C06M C03R H03R 120.3 . . ?
C13 C03R H03R 120.3 . . ?
C13 C03R C06M 119.3(16) . . ?
C02G C03T H03T 120.5 . . ?
C02G C03T C07S 119.0(15) . . ?
C07S C03T H03T 120.5 . . ?
C04A C03U H03U 120.1 . . ?
C067 C03U H03U 120.1 . . ?
C067 C03U C04A 119.7(15) . . ?
C02U C03V H03V 120.6 . . ?
C08L C03V C02U 118.7(17) . . ?
C08L C03V H03V 120.6 . . ?
Au03 C03X Au06 80.1(5) . . ?
C01N C03X Au03 113.2(12) . . ?
C01N C03X Au06 102.4(11) . . ?
C01N C03X C09E 121.6(14) . . ?
C09E C03X Au03 121.7(12) . . ?
C09E C03X Au06 104.7(10) . . ?
C02V C03Y H03Y 118.9 . . ?
C08M C03Y C02V 122.1(17) . . ?
C08M C03Y H03Y 118.9 . . ?
C02Q O03Z C077 117.3(13) . . ?
C057 C040 H040 119.7 . . ?
C057 C040 C08S 120.7(18) . . ?
C08S C040 H040 119.7 . . ?
F020 C041 S00S 111.8(13) . . ?
F020 C041 F028 104.4(16) . . ?
F028 C041 S00S 110.5(15) . . ?
F04D C041 S00S 114.2(15) . . ?
F04D C041 F020 109.4(18) . . ?
F04D C041 F028 105.8(16) . . ?
O01P C043 C098 120.3(18) . . ?
C093 C043 O01P 115.3(17) . . ?
C093 C043 C098 124.4(17) . . ?
C021 C044 H044 117.0 . . ?
C021 C044 C44 126(2) . . ?
C44 C044 H044 117.0 . . ?
C031 C045 H045 119.3 . . ?
C059 C045 C031 121.4(17) . . ?
C059 C045 H045 119.3 . . ?
C04O C046 P00O 118.5(12) . . ?
C075 C046 P00O 116.6(13) . . ?
C075 C046 C04O 124.4(15) . . ?
C029 C047 H047 119.5 . . ?
C02L C047 C029 121.0(15) . . ?
C02L C047 H047 119.5 . . ?
C03D C048 H048 119.7 . . ?
C03D C048 C05B 120.7(15) . . ?
C05B C048 H048 119.7 . . ?
C05X C049 H049 120.9 . . ?
C05X C049 C08O 118.3(14) . . ?
C08O C049 H049 120.9 . . ?
C03U C04A H04A 120.1 . . ?
C04I C04A C03U 119.7(15) . . ?
C04I C04A H04A 120.1 . . ?
C02N C04B H04B 120.5 . . ?
C065 C04B C02N 118.9(15) . . ?
C065 C04B H04B 120.5 . . ?
C055 C04C C02W 119.3(13) . . ?
C05V C04C C02W 122.3(14) . . ?
C05V C04C C055 118.3(14) . . ?
C03O C04F H04F 120.5 . . ?
C086 C04F C03O 118.9(17) . . ?
C086 C04F H04F 120.5 . . ?
C03A C04G H04G 119.7 . . ?
C03A C04G C089 121(2) . . ?
C089 C04G H04G 119.7 . . ?
C02C C04H H04H 120.1 . . ?
C08N C04H C02C 120(2) . . ?
C08N C04H H04H 120.1 . . ?
C04A C04I H04I 119.1 . . ?
C04A C04I C11 121.7(16) . . ?
C11 C04I H04I 119.1 . . ?
C05U C04M H04M 120.6 . . ?
C05U C04M C062 118.8(19) . . ?
C062 C04M H04M 120.6 . . ?
C046 C04O H04O 121.7 . . ?
C086 C04O C046 116.7(17) . . ?
C086 C04O H04O 121.7 . . ?
C02K C04Q C02Q 120.3(15) . . ?
C02K C04Q H04Q 119.8 . . ?
C02Q C04Q H04Q 119.8 . . ?
O01C C04R H04C 109.5 . . ?
O01C C04R H04D 109.5 . . ?
O01C C04R H04E 109.5 . . ?
H04C C04R H04D 109.5 . . ?
H04C C04R H04E 109.5 . . ?
H04D C04R H04E 109.5 . . ?
F027 C04T S00U 113(2) . . ?
F027 C04T F04E 111(3) . . ?
F027 C04T F07V 106(2) . . ?
F04E C04T S00U 105.7(17) . . ?
F04E C04T F07V 113(3) . . ?
F07V C04T S00U 107.8(19) . . ?
C052 C04U H04U 119.3 . . ?
C05I C04U H04U 119.3 . . ?
C05I C04U C052 121(2) . . ?
C02U C04X P00F 119.7(11) . . ?
C03P C04X P00F 122.5(13) . . ?
C03P C04X C02U 117.8(14) . . ?
C02T C052 C04U 122(2) . . ?
C02T C052 H052 118.8 . . ?
C04U C052 H052 118.8 . . ?
C02G C055 C019 119.9(14) . . ?
C04C C055 C019 121.4(13) . . ?
C04C C055 C02G 118.7(13) . . ?
C02E C056 P00N 118.2(11) . . ?
C02E C056 C06C 122.0(15) . . ?
C06C C056 P00N 119.6(12) . . ?
C040 C057 P00Q 117.0(13) . . ?
C040 C057 C09P 118.2(15) . . ?
C09P C057 P00Q 124.7(13) . . ?
F02O C058 S00R 112.4(15) . . ?
F02O C058 F033 106.6(18) . . ?
F033 C058 S00R 111.6(17) . . ?
F050 C058 S00R 113.5(16) . . ?
F050 C058 F02O 108(2) . . ?
F050 C058 F033 104.2(17) . . ?
C045 C059 H059 121.0 . . ?
C045 C059 C095 118.0(17) . . ?
C095 C059 H059 121.0 . . ?
C05E C05A P00O 118.6(14) . . ?
C05E C05A C05Z 119.8(16) . . ?
C05Z C05A P00O 121.4(13) . . ?
C048 C05B H05B 119.6 . . ?
C074 C05B C048 120.7(16) . . ?
C074 C05B H05B 119.6 . . ?
C05W C05C P00P 118.5(13) . . ?
C05W C05C C49 119.4(17) . . ?
C49 C05C P00P 122.1(15) . . ?
C01Z C05D H05D 119.8 . . ?
C01Z C05D C07A 120.3(16) . . ?
C07A C05D H05D 119.8 . . ?
C05A C05E H05E 119.0 . . ?
C05A C05E C07T 122(2) . . ?
C07T C05E H05E 119.0 . . ?
C02X C05F C03L 123.0(15) . . ?
C02X C05F H05F 118.5 . . ?
C03L C05F H05F 118.5 . . ?
C095 C05G H05G 119.6 . . ?
C095 C05G C09J 120.8(18) . . ?
C09J C05G H05G 119.6 . . ?
C05Y C05H H05I 120.0 . . ?
C09N C05H H05I 120.0 . . ?
C09N C05H C05Y 119.9(16) . . ?
C04U C05I H05J 121.1 . . ?
C09G C05I C04U 117.8(18) . . ?
C09G C05I H05J 121.1 . . ?
C05T C05L H05L 119.9 . . ?
C07W C05L H05L 119.9 . . ?
C07W C05L C05T 120.2(17) . . ?
C023 C05M H05M 121.9 . . ?
C023 C05M C07C 116.2(18) . . ?
C07C C05M H05M 121.9 . . ?
C073 C05O H05O 120.5 . . ?
C07W C05O H05O 120.5 . . ?
C07W C05O C073 119.0(15) . . ?
S010 N05Q S00U 128.7(16) . . ?
O016 C05R H05A 109.5 . . ?
O016 C05R H05C 109.5 . . ?
O016 C05R H05H 109.5 . . ?
H05A C05R H05C 109.5 . . ?
H05A C05R H05H 109.5 . . ?
H05C C05R H05H 109.5 . . ?
C02L C05S H05S 120.4 . . ?
C06A C05S C02L 119.1(14) . . ?
C06A C05S H05S 120.4 . . ?
C05L C05T H05T 119.9 . . ?
C07K C05T C05L 120.2(16) . . ?
C07K C05T H05T 119.9 . . ?
C04M C05U H05U 119.6 . . ?
C04M C05U C084 120.7(17) . . ?
C084 C05U H05U 119.6 . . ?
C04C C05V H05V 118.4 . . ?
C07S C05V C04C 123.3(16) . . ?
C07S C05V H05V 118.4 . . ?
C05C C05W H05W 120.9 . . ?
C05C C05W C08T 118.2(17) . . ?
C08T C05W H05W 120.9 . . ?
C049 C05X H05X 118.0 . . ?
C049 C05X C06J 124.0(16) . . ?
C06J C05X H05X 118.0 . . ?
C05H C05Y H05Y 121.2 . . ?
C13 C05Y C05H 117.7(15) . . ?
C13 C05Y H05Y 121.2 . . ?
C05A C05Z H05Z 120.9 . . ?
C05A C05Z C27 118.2(19) . . ?
C27 C05Z H05Z 120.9 . . ?
C04M C062 H062 119.4 . . ?
C08Z C062 C04M 121.2(17) . . ?
C08Z C062 H062 119.4 . . ?
C04B C065 H065 119.5 . . ?
C04B C065 C06L 121.0(15) . . ?
C06L C065 H065 119.5 . . ?
C03U C067 P00F 118.5(11) . . ?
C1 C067 P00F 121.7(12) . . ?
C1 C067 C03U 119.7(14) . . ?
C08A C068 H068 120.4 . . ?
C08A C068 C39 119.3(18) . . ?
C39 C068 H068 120.4 . . ?
C15 C069 P00P 124.5(14) . . ?
C15 C069 C18 118.3(18) . . ?
C18 C069 P00P 117.1(14) . . ?
C03C C06A C05S 121.4(15) . . ?
C03C C06A H06A 119.3 . . ?
C05S C06A H06A 119.3 . . ?
C03L C06C H06C 121.1 . . ?
C056 C06C C03L 117.8(17) . . ?
C056 C06C H06C 121.1 . . ?
C07R C06D H06D 119.3 . . ?
C09P C06D H06D 119.3 . . ?
C09P C06D C07R 121.5(18) . . ?
C06Q C06E H06E 119.8 . . ?
C08B C06E H06E 119.8 . . ?
C08B C06E C06Q 120(2) . . ?
O01P C06I H06B 109.5 . . ?
O01P C06I H06F 109.5 . . ?
O01P C06I H06G 109.5 . . ?
H06B C06I H06F 109.5 . . ?
H06B C06I H06G 109.5 . . ?
H06F C06I H06G 109.5 . . ?
C02S C06J H06J 121.0 . . ?
C05X C06J C02S 118.1(14) . . ?
C05X C06J H06J 121.0 . . ?
C025 C06K C093 121.3(16) . . ?
C09E C06K C025 120.7(16) . . ?
C09E C06K C093 118.0(17) . . ?
C01W C06L H06L 119.9 . . ?
C065 C06L C01W 120.2(15) . . ?
C065 C06L H06L 119.9 . . ?
C03R C06M H06M 119.9 . . ?
C09N C06M C03R 120.3(16) . . ?
C09N C06M H06M 119.9 . . ?
C021 C06N H06N 120.1 . . ?
C021 C06N C08Q 120(2) . . ?
C08Q C06N H06N 120.1 . . ?
C06E C06Q H06Q 119.2 . . ?
C48 C06Q C06E 121.6(19) . . ?
C48 C06Q H06Q 119.2 . . ?
C02B C06W P00L 118.6(12) . . ?
C02B C06W C09Q 121.3(15) . . ?
C09Q C06W P00L 120.1(12) . . ?
C03P C06Y H06Y 119.6 . . ?
C03P C06Y C08L 120.8(16) . . ?
C08L C06Y H06Y 119.6 . . ?
C05O C073 P00N 119.8(11) . . ?
C07K C073 P00N 121.6(12) . . ?
C07K C073 C05O 118.6(14) . . ?
C02Y C074 H074 120.0 . . ?
C05B C074 C02Y 120.0(15) . . ?
C05B C074 H074 120.0 . . ?
C03O C075 H075 122.8 . . ?
C046 C075 C03O 114.5(17) . . ?
C046 C075 H075 122.8 . . ?
O03Z C077 H07A 109.5 . . ?
O03Z C077 H07B 109.5 . . ?
O03Z C077 H07C 109.5 . . ?
H07A C077 H07B 109.5 . . ?
H07A C077 H07C 109.5 . . ?
H07B C077 H07C 109.5 . . ?
C02B C07A H07D 120.3 . . ?
C05D C07A C02B 119.5(17) . . ?
C05D C07A H07D 120.3 . . ?
C05M C07C H07E 116.8 . . ?
C08M C07C C05M 126(2) . . ?
C08M C07C H07E 116.8 . . ?
C05T C07K C073 121.1(16) . . ?
C05T C07K H07K 119.4 . . ?
C073 C07K H07K 119.4 . . ?
C08B C07L P00K 121.8(14) . . ?
C08B C07L C09S 120.2(17) . . ?
C09S C07L P00K 118.0(13) . . ?
C06D C07R H07R 119.7 . . ?
C08S C07R C06D 120.6(17) . . ?
C08S C07R H07R 119.7 . . ?
C03T C07S H07S 120.0 . . ?
C05V C07S C03T 119.9(16) . . ?
C05V C07S H07S 120.0 . . ?
C05E C07T H07T 119.4 . . ?
C05E C07T C34 121(2) . . ?
C34 C07T H07T 119.4 . . ?
C05L C07W C05O 120.8(18) . . ?
C05L C07W H07W 119.6 . . ?
C05O C07W H07W 119.6 . . ?
C9 C080 H080 120.2 . . ?
C39 C080 H080 120.2 . . ?
C39 C080 C9 119.6(19) . . ?
C08A C083 H083 120.3 . . ?
C08A C083 C9 119.3(16) . . ?
C9 C083 H083 120.3 . . ?
C05U C084 P00N 122.8(13) . . ?
C05U C084 C7 119.5(16) . . ?
C7 C084 P00N 117.7(13) . . ?
C04F C086 C04O 124(2) . . ?
C04F C086 H086 118.0 . . ?
C04O C086 H086 118.0 . . ?
C04G C089 H089 119.8 . . ?
C37 C089 C04G 120(2) . . ?
C37 C089 H089 119.8 . . ?
C068 C08A H08A 119.8 . . ?
C083 C08A C068 120.4(17) . . ?
C083 C08A H08A 119.8 . . ?
C06E C08B C07L 118(2) . . ?
C06E C08B H08B 121.1 . . ?
C07L C08B H08B 121.1 . . ?
C03V C08L C06Y 120.7(16) . . ?
C03V C08L H08L 119.6 . . ?
C06Y C08L H08L 119.6 . . ?
C03Y C08M H08M 122.7 . . ?
C07C C08M C03Y 114.5(17) . . ?
C07C C08M H08M 122.7 . . ?
C026 C08N H08N 119.4 . . ?
C04H C08N C026 121(2) . . ?
C04H C08N H08N 119.4 . . ?
C032 C08O H08O 119.9 . . ?
C049 C08O C032 120.2(15) . . ?
C049 C08O H08O 119.9 . . ?
C06N C08Q H08Q 120.7 . . ?
C06N C08Q C32 119(3) . . ?
C32 C08Q H08Q 120.7 . . ?
C040 C08S H08S 120.0 . . ?
C07R C08S C040 120.0(19) . . ?
C07R C08S H08S 120.0 . . ?
C05W C08T H08T 119.0 . . ?
C31 C08T C05W 122(2) . . ?
C31 C08T H08T 119.0 . . ?
C31 C08W H08W 118.8 . . ?
C31 C08W C49 122(2) . . ?
C49 C08W H08W 118.8 . . ?
C062 C08Z H08Z 119.8 . . ?
C062 C08Z C7 120.4(18) . . ?
C7 C08Z H08Z 119.8 . . ?
C043 C093 C06K 120.6(17) . . ?
C043 C093 H093 119.7 . . ?
C06K C093 H093 119.7 . . ?
S00S N094 S00R 125.3(9) . . ?
C059 C095 H095 119.7 . . ?
C05G C095 C059 120.5(17) . . ?
C05G C095 H095 119.7 . . ?
C01X C098 H098 121.4 . . ?
C043 C098 C01X 117.1(17) . . ?
C043 C098 H098 121.4 . . ?
S011 N09C S00T 122.2(13) . . ?
C025 C09D H09D 119.0 . . ?
C37 C09D C025 122.0(19) . . ?
C37 C09D H09D 119.0 . . ?
C01X C09E C03X 121.6(14) . . ?
C06K C09E C01X 119.1(15) . . ?
C06K C09E C03X 119.3(15) . . ?
C03K C09G H09G 119.0 . . ?
C05I C09G C03K 122(2) . . ?
C05I C09G H09G 119.0 . . ?
C031 C09J H09J 119.7 . . ?
C05G C09J C031 120.6(16) . . ?
C05G C09J H09J 119.7 . . ?
C05H C09N H09N 119.5 . . ?
C06M C09N C05H 121.1(17) . . ?
C06M C09N H09N 119.5 . . ?
C057 C09P H09P 120.5 . . ?
C06D C09P C057 118.9(18) . . ?
C06D C09P H09P 120.5 . . ?
C01Z C09Q C06W 117.2(17) . . ?
C01Z C09Q H09Q 121.4 . . ?
C06W C09Q H09Q 121.4 . . ?
C07L C09S H09S 119.8 . . ?
C48 C09S C07L 120(2) . . ?
C48 C09S H09S 119.8 . . ?
C022 C8 H8 119.8 . . ?
C02A C8 C022 120.3(15) . . ?
C02A C8 H8 119.8 . . ?
C080 C9 P00P 122.5(13) . . ?
C080 C9 C083 120.4(15) . . ?
C083 C9 P00P 117.1(12) . . ?
C03R C13 P00I 120.7(13) . . ?
C03R C13 C05Y 121.5(15) . . ?
C05Y C13 P00I 117.7(12) . . ?
C069 C15 H15 120.1 . . ?
C45 C15 C069 120(2) . . ?
C45 C15 H15 120.1 . . ?
C069 C18 H18 120.1 . . ?
C42 C18 C069 120(2) . . ?
C42 C18 H18 120.1 . . ?
C08T C31 H31 120.8 . . ?
C08W C31 C08T 118.4(19) . . ?
C08W C31 H31 120.8 . . ?
C068 C39 H39 119.8 . . ?
C080 C39 C068 120(2) . . ?
C080 C39 H39 119.8 . . ?
C18 C42 H42 119.4 . . ?
C18 C42 C43 121(2) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 120.9 . . ?
C45 C43 C42 118(2) . . ?
C45 C43 H43 120.9 . . ?
C15 C45 H45 118.7 . . ?
C43 C45 C15 123(2) . . ?
C43 C45 H45 118.7 . . ?
C06Q C48 C09S 120(2) . . ?
C06Q C48 H48 120.2 . . ?
C09S C48 H48 120.2 . . ?
C05C C49 H49 120.3 . . ?
C08W C49 C05C 119(2) . . ?
C08W C49 H49 120.3 . . ?
C067 C1 H1 119.8 . . ?
C067 C1 C11 120.3(16) . . ?
C11 C1 H1 119.8 . . ?
C04I C11 C1 118.7(18) . . ?
C04I C11 H11 120.6 . . ?
C1 C11 H11 120.6 . . ?
C05Z C27 H27 119.3 . . ?
C34 C27 C05Z 121(2) . . ?
C34 C27 H27 119.3 . . ?
C07T C34 H34 121.4 . . ?
C27 C34 C07T 117.3(19) . . ?
C27 C34 H34 121.4 . . ?
C08Q C32 H32 117.9 . . ?
C08Q C32 C44 124.2(19) . . ?
C44 C32 H32 117.9 . . ?
C089 C37 C09D 120.0(19) . . ?
C089 C37 H37 120.0 . . ?
C09D C37 H37 120.0 . . ?
C044 C44 C32 111(3) . . ?
C044 C44 H44 124.3 . . ?
C32 C44 H44 124.3 . . ?
F054 C36 S010 110.6(17) . . ?
F054 C36 F072 109(3) . . ?
F072 C36 S010 111.2(19) . . ?
F07P C36 S010 112(2) . . ?
F07P C36 F054 105(2) . . ?
F07P C36 F072 109(2) . . ?
F20 C2 S011 110(3) . . ?
F28 C2 S011 114(2) . . ?
F28 C2 F20 111(4) . . ?
F38 C2 S011 107(3) . . ?
F38 C2 F20 105(3) . . ?
F38 C2 F28 109(3) . . ?
N13 S1 C26 101.9(19) . . ?
O8 S1 N13 111.5(16) . . ?
O8 S1 C26 107.1(16) . . ?
O11 S1 N13 117.5(17) . . ?
O11 S1 O8 114.3(18) . . ?
O11 S1 C26 102.7(19) . . ?
N13 S2 C61 103.4(15) . . ?
O23 S2 N13 115.9(13) . . ?
O23 S2 O1 119.7(15) . . ?
O23 S2 C61 104.3(17) . . ?
O1 S2 N13 107.7(16) . . ?
O1 S2 C61 103.8(19) . . ?
S1 N13 S2 123.6(16) . . ?
F15 C29 S00T 109.5(19) . . ?
F15 C29 F18 109(2) . . ?
F15 C29 F21 115(2) . . ?
F18 C29 S00T 107.6(17) . . ?
F21 C29 S00T 112.4(17) . . ?
F21 C29 F18 104(3) . . ?
F14 C26 S1 119(3) . . ?
F14 C26 F27 106(4) . . ?
F14 C26 F29 112(4) . . ?
F27 C26 S1 115(3) . . ?
F27 C26 F29 97(4) . . ?
F29 C26 S1 106(2) . . ?
C084 C7 H7 120.4 . . ?
C08Z C7 C084 119.3(18) . . ?
C08Z C7 H7 120.4 . . ?
F2 C61 S2 112(3) . . ?
F1 C61 S2 108(3) . . ?
F1 C61 F2 110(4) . . ?
F1 C61 F22 115(4) . . ?
F22 C61 S2 110(3) . . ?
F22 C61 F2 100(3) . . ?

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 P00N C056 C02E 33.0(13) . . . . ?
Au01 P00N C056 C06C -151.4(12) . . . . ?
Au01 P00N C073 C05O 19.8(14) . . . . ?
Au01 P00N C073 C07K -159.9(12) . . . . ?
Au01 P00N C084 C05U -116.9(13) . . . . ?
Au01 P00N C084 C7 62.3(15) . . . . ?
Au02 P00F C02Y C02R 158.6(10) . . . . ?
Au02 P00F C02Y C074 -22.1(13) . . . . ?
Au02 P00F C04X C02U -39.3(14) . . . . ?
Au02 P00F C04X C03P 138.9(12) . . . . ?
Au02 P00F C067 C03U -50.8(13) . . . . ?
Au02 P00F C067 C1 125.6(14) . . . . ?
Au03 P00P C05C C05W -30.2(16) . . . . ?
Au03 P00P C05C C49 151.1(14) . . . . ?
Au03 P00P C069 C15 127.5(15) . . . . ?
Au03 P00P C069 C18 -48.6(15) . . . . ?
Au03 P00P C9 C080 136.8(17) . . . . ?
Au03 P00P C9 C083 -46.0(15) . . . . ?
Au03 C03X C09E C01X -19.5(19) . . . . ?
Au03 C03X C09E C06K 159.7(11) . . . . ?
Au04 P00O C031 C045 175.8(12) . . . . ?
Au04 P00O C031 C09J -11.5(13) . . . . ?
Au04 P00O C046 C04O -165.0(11) . . . . ?
Au04 P00O C046 C075 22.7(16) . . . . ?
Au04 P00O C05A C05E 60.6(13) . . . . ?
Au04 P00O C05A C05Z -114.4(12) . . . . ?
Au04 C019 C01U Au01 -29.0(11) . . . . ?
Au04 C019 C01U Au02 56.0(11) . . . . ?
Au04 C019 C01U C01T -150.6(10) . . . . ?
Au04 C019 C055 C02G -33.0(19) . . . . ?
Au04 C019 C055 C04C 149.5(12) . . . . ?
Au05 P00L C023 C02V 135.2(13) . . . . ?
Au05 P00L C023 C05M -45.8(14) . . . . ?
Au05 P00L C02L C047 160.8(11) . . . . ?
Au05 P00L C02L C05S -16.1(13) . . . . ?
Au05 P00L C06W C02B -34.0(15) . . . . ?
Au05 P00L C06W C09Q 145.9(12) . . . . ?
Au05 C019 C01U Au01 -115.3(7) . . . . ?
Au05 C019 C01U Au02 -30.3(10) . . . . ?
Au05 C019 C01U C01T 123.1(11) . . . . ?
Au05 C019 C055 C02G 57.4(16) . . . . ?
Au05 C019 C055 C04C -120.1(14) . . . . ?
Au06 P00I C02A C018 35.3(12) . . . . ?
Au06 P00I C02A C8 -150.9(11) . . . . ?
Au06 P00I C02N C01F 51.9(13) . . . . ?
Au06 P00I C02N C04B -129.3(12) . . . . ?
Au06 P00I C13 C03R -153.1(12) . . . . ?
Au06 P00I C13 C05Y 22.7(13) . . . . ?
Au06 C03X C09E C01X 67.8(16) . . . . ?
Au06 C03X C09E C06K -112.9(13) . . . . ?
Au07 P00Q C021 C044 -4.1(15) . . . . ?
Au07 P00Q C021 C06N -174.8(13) . . . . ?
Au07 P00Q C02T C03K -16.5(15) . . . . ?
Au07 P00Q C02T C052 170.8(14) . . . . ?
Au07 P00Q C057 C040 67.9(13) . . . . ?
Au07 P00Q C057 C09P -108.1(14) . . . . ?
Au07 C01N C03A C025 143.0(13) . . . . ?
Au07 C01N C03A C04G -39(2) . . . . ?
Au07 C01N C03X Au03 56.3(14) . . . . ?
Au07 C01N C03X Au06 -28.1(14) . . . . ?
Au07 C01N C03X C09E -144.3(12) . . . . ?
Au08 P00K C026 C01A -18.6(14) . . . . ?
Au08 P00K C026 C08N 163.0(11) . . . . ?
Au08 P00K C02S C032 -20.7(14) . . . . ?
Au08 P00K C02S C06J 153.6(11) . . . . ?
Au08 P00K C07L C08B 145.4(15) . . . . ?
Au08 P00K C07L C09S -34.7(15) . . . . ?
Au08 C01N C03A C025 -127.0(14) . . . . ?
Au08 C01N C03A C04G 51(2) . . . . ?
Au08 C01N C03X Au03 -30.7(12) . . . . ?
Au08 C01N C03X Au06 -115.1(8) . . . . ?
Au08 C01N C03X C09E 128.7(13) . . . . ?
P00F C02Y C074 C05B -179.9(12) . . . . ?
P00F C067 C1 C11 -177.5(16) . . . . ?
P00I C02A C8 C022 -173.3(13) . . . . ?
P00I C02N C04B C065 -178.2(14) . . . . ?
P00K C026 C08N C04H 178.3(14) . . . . ?
P00K C02S C032 C08O 178.1(14) . . . . ?
P00K C02S C06J C05X -176.8(13) . . . . ?
P00K C07L C08B C06E 179.4(17) . . . . ?
P00K C07L C09S C48 -179.0(17) . . . . ?
P00L C023 C02V C03Y 176.3(13) . . . . ?
P00L C023 C05M C07C -179.2(19) . . . . ?
P00L C02L C047 C029 -178.7(13) . . . . ?
P00L C02L C05S C06A 178.2(11) . . . . ?
P00L C06W C09Q C01Z -179.4(14) . . . . ?
P00N C056 C06C C03L -174.6(15) . . . . ?
P00N C073 C07K C05T 178.6(15) . . . . ?
P00N C084 C7 C08Z -178.3(14) . . . . ?
P00O C031 C045 C059 177.1(15) . . . . ?
P00O C031 C09J C05G -174.8(13) . . . . ?
P00O C046 C04O C086 -174.6(13) . . . . ?
P00O C046 C075 C03O 176.7(14) . . . . ?
P00O C05A C05E C07T -178.8(14) . . . . ?
P00O C05A C05Z C27 177.6(14) . . . . ?
P00P C05C C05W C08T -177.3(13) . . . . ?
P00P C05C C49 C08W 175.2(19) . . . . ?
P00P C069 C15 C45 -176.4(16) . . . . ?
P00P C069 C18 C42 178.4(19) . . . . ?
P00Q C021 C044 C44 175.1(18) . . . . ?
P00Q C021 C06N C08Q -177.7(16) . . . . ?
P00Q C02T C03K C09G -171.1(14) . . . . ?
P00Q C02T C052 C04U 174.2(14) . . . . ?
P00Q C057 C09P C06D 175.5(14) . . . . ?
O016 C02K C04Q C02Q 177.6(13) . . . . ?
C018 C02A C8 C022 1(2) . . . . ?
C018 C02Z C03J C022 -5(2) . . . . ?
C01A C026 C08N C04H 0(2) . . . . ?
O01C C01X C098 C043 179.6(15) . . . . ?
O01C C01X C09E C03X 3(2) . . . . ?
O01C C01X C09E C06K -176.1(14) . . . . ?
C01F C01W C06L C065 -2(3) . . . . ?
C01F C02N C04B C065 1(3) . . . . ?
C01N C03A C04G C089 -179.3(19) . . . . ?
C01N C03X C09E C01X -177.1(15) . . . . ?
C01N C03X C09E C06K 2(2) . . . . ?
O01P C043 C093 C06K -179.5(15) . . . . ?
O01P C043 C098 C01X 177.8(15) . . . . ?
C01T C02K C04Q C02Q 1(2) . . . . ?
C01T C02W C04C C055 6(2) . . . . ?
C01T C02W C04C C05V -175.4(15) . . . . ?
C01U C019 C055 C02G 175.6(14) . . . . ?
C01U C019 C055 C04C -2(2) . . . . ?
C01U C01T C02K O016 6.3(19) . . . . ?
C01U C01T C02K C04Q -176.5(13) . . . . ?
C01U C01T C02W C02D 175.2(13) . . . . ?
C01U C01T C02W C04C -5(2) . . . . ?
O01V S00U C04T F027 -170(2) . . . . ?
O01V S00U C04T F04E 68(2) . . . . ?
O01V S00U C04T F07V -52.9(19) . . . . ?
O01V S00U N05Q S010 -130.5(16) . . . . ?
C01W C01F C02N P00I 177.3(14) . . . . ?
C01W C01F C02N C04B -2(2) . . . . ?
C01Z C05D C07A C02B 8(3) . . . . ?
C021 P00Q C02T C03K 105.8(14) . . . . ?
C021 P00Q C02T C052 -66.9(17) . . . . ?
C021 P00Q C057 C040 -55.6(14) . . . . ?
C021 P00Q C057 C09P 128.5(14) . . . . ?
C021 C044 C44 C32 9(3) . . . . ?
C021 C06N C08Q C32 -6(3) . . . . ?
C023 P00L C02L C047 -79.3(13) . . . . ?
C023 P00L C02L C05S 103.7(12) . . . . ?
C023 P00L C06W C02B -151.2(14) . . . . ?
C023 P00L C06W C09Q 28.7(16) . . . . ?
C023 C02V C03Y C08M 9(3) . . . . ?
C023 C05M C07C C08M -4(4) . . . . ?
C025 C03A C04G C089 -2(3) . . . . ?
C025 C06K C093 C043 -177.6(16) . . . . ?
C025 C06K C09E C01X 175.8(14) . . . . ?
C025 C06K C09E C03X -3(2) . . . . ?
C025 C09D C37 C089 -3(3) . . . . ?
C026 P00K C02S C032 -147.4(13) . . . . ?
C026 P00K C02S C06J 26.9(14) . . . . ?
C026 P00K C07L C08B -87.6(17) . . . . ?
C026 P00K C07L C09S 92.2(15) . . . . ?
C026 C01A C02J C02C 2(3) . . . . ?
C029 C03C C06A C05S 4(3) . . . . ?
C02A P00I C02N C01F -74.6(13) . . . . ?
C02A P00I C02N C04B 104.2(13) . . . . ?
C02A P00I C13 C03R -27.7(15) . . . . ?
C02A P00I C13 C05Y 148.1(12) . . . . ?
C02A C018 C02Z C03J 3(2) . . . . ?
C02B C06W C09Q C01Z 1(3) . . . . ?
C02C C04H C08N C026 2(3) . . . . ?
C02D C02Q O03Z C077 -172.7(13) . . . . ?
C02D C02Q C04Q C02K -3(2) . . . . ?
C02D C02W C04C C055 -175.1(14) . . . . ?
C02D C02W C04C C05V 4(2) . . . . ?
C02E C02X C05F C03L -2(3) . . . . ?
C02E C056 C06C C03L 1(3) . . . . ?
O02F S00R C058 F02O -56.6(19) . . . . ?
O02F S00R C058 F033 63.2(18) . . . . ?
O02F S00R C058 F050 -179.5(19) . . . . ?
O02F S00R N094 S00S -18.9(18) . . . . ?
C02G C03T C07S C05V -1(3) . . . . ?
C02J C01A C026 P00K 179.9(12) . . . . ?
C02J C01A C026 C08N -2(2) . . . . ?
C02J C02C C04H C08N -2(3) . . . . ?
C02K C01T C01U Au01 61.4(14) . . . . ?
C02K C01T C01U Au02 -27.2(17) . . . . ?
C02K C01T C01U C019 -178.8(12) . . . . ?
C02K C01T C02W C02D -4.3(19) . . . . ?
C02K C01T C02W C04C 175.0(12) . . . . ?
C02L P00L C023 C02V 9.5(16) . . . . ?
C02L P00L C023 C05M -171.5(14) . . . . ?
C02L P00L C06W C02B 94.4(15) . . . . ?
C02L P00L C06W C09Q -85.7(15) . . . . ?
C02L C05S C06A C03C -2(2) . . . . ?
C02N P00I C02A C018 160.2(11) . . . . ?
C02N P00I C02A C8 -26.0(14) . . . . ?
C02N P00I C13 C03R 83.0(14) . . . . ?
C02N P00I C13 C05Y -101.2(13) . . . . ?
C02N C01F C01W C06L 2(3) . . . . ?
C02N C04B C065 C06L 0(3) . . . . ?
C02Q C02D C02W C01T 2(2) . . . . ?
C02Q C02D C02W C04C -177.3(14) . . . . ?
C02R C02Y C074 C05B -1(2) . . . . ?
C02R C03D C048 C05B 0(3) . . . . ?
C02S P00K C026 C01A 102.8(13) . . . . ?
C02S P00K C026 C08N -75.7(14) . . . . ?
C02S P00K C07L C08B 28.2(17) . . . . ?
C02S P00K C07L C09S -152.0(14) . . . . ?
C02S C032 C08O C049 0(3) . . . . ?
C02T P00Q C021 C044 -126.7(14) . . . . ?
C02T P00Q C021 C06N 62.6(16) . . . . ?
C02T P00Q C057 C040 -165.8(12) . . . . ?
C02T P00Q C057 C09P 18.3(16) . . . . ?
C02T C03K C09G C05I -3(3) . . . . ?
C02U C03V C08L C06Y 0(3) . . . . ?
C02V C023 C05M C07C 0(3) . . . . ?
C02V C03Y C08M C07C -12(3) . . . . ?
C02W C01T C01U Au01 -118.1(12) . . . . ?
C02W C01T C01U Au02 153.3(10) . . . . ?
C02W C01T C01U C019 1.6(19) . . . . ?
C02W C01T C02K O016 -174.1(12) . . . . ?
C02W C01T C02K C04Q 3.1(19) . . . . ?
C02W C02D C02Q O03Z -175.3(13) . . . . ?
C02W C02D C02Q C04Q 2(2) . . . . ?
C02W C04C C055 C019 -2(2) . . . . ?
C02W C04C C055 C02G -179.5(14) . . . . ?
C02W C04C C05V C07S 177.8(17) . . . . ?
C02X C02E C056 P00N 173.3(11) . . . . ?
C02X C02E C056 C06C -2(2) . . . . ?
C02Y P00F C04X C02U 92.7(13) . . . . ?
C02Y P00F C04X C03P -89.2(14) . . . . ?
C02Y P00F C067 C03U 178.9(12) . . . . ?
C02Y P00F C067 C1 -4.7(16) . . . . ?
C02Y C02R C03D C048 1(2) . . . . ?
C02Z C018 C02A P00I 173.2(11) . . . . ?
C02Z C018 C02A C8 -1(2) . . . . ?
C031 P00O C046 C04O 72.0(14) . . . . ?
C031 P00O C046 C075 -100.3(16) . . . . ?
C031 P00O C05A C05E -172.9(12) . . . . ?
C031 P00O C05A C05Z 12.2(15) . . . . ?
C031 C045 C059 C095 -5(3) . . . . ?
C032 C02S C06J C05X -2(2) . . . . ?
O034 S00U C04T F027 61(2) . . . . ?
O034 S00U C04T F04E -61(2) . . . . ?
O034 S00U C04T F07V 177.5(18) . . . . ?
O034 S00U N05Q S010 14(2) . . . . ?
O035 S00T N09C S011 31(2) . . . . ?
O035 S00T C29 F15 178(2) . . . . ?
O035 S00T C29 F18 60(2) . . . . ?
O035 S00T C29 F21 -53(3) . . . . ?
C03A C01N C03X Au03 -159.1(12) . . . . ?
C03A C01N C03X Au06 116.5(14) . . . . ?
C03A C01N C03X C09E 0(2) . . . . ?
C03A C025 C06K C093 -176.9(15) . . . . ?
C03A C025 C06K C09E 2(2) . . . . ?
C03A C025 C09D C37 -1(3) . . . . ?
C03A C04G C089 C37 -2(4) . . . . ?
C03C C029 C047 C02L 3(2) . . . . ?
C03D C02R C02Y P00F 178.7(12) . . . . ?
C03D C02R C02Y C074 -1(2) . . . . ?
C03D C048 C05B C074 -2(3) . . . . ?
O03H S00S C041 F020 -177.8(14) . . . . ?
O03H S00S C041 F028 -61.9(15) . . . . ?
O03H S00S C041 F04D 57.2(18) . . . . ?
O03H S00S N094 S00R -11(2) . . . . ?
O03I S00T N09C S011 166.3(19) . . . . ?
O03I S00T C29 F15 54(2) . . . . ?
O03I S00T C29 F18 -64(2) . . . . ?
O03I S00T C29 F21 -178(2) . . . . ?
C03J C022 C8 C02A -3(3) . . . . ?
C03K C02T C052 C04U 1(3) . . . . ?
C03O C04F C086 C04O -7(3) . . . . ?
C03P C06Y C08L C03V 2(3) . . . . ?
C03R C06M C09N C05H 6(3) . . . . ?
C03T C02G C055 C019 -177.4(15) . . . . ?
C03T C02G C055 C04C 0(2) . . . . ?
C03U C04A C04I C11 -2(3) . . . . ?
C03U C067 C1 C11 -1(3) . . . . ?
C03V C02U C04X P00F -179.4(13) . . . . ?
C03V C02U C04X C03P 2(2) . . . . ?
C03X C01N C03A C025 -1(2) . . . . ?
C03X C01N C03A C04G 176.2(17) . . . . ?
O03Z C02Q C04Q C02K 173.7(13) . . . . ?
C040 C057 C09P C06D 0(2) . . . . ?
C041 S00S N094 S00R 103.2(14) . . . . ?
O042 S00S C041 F020 -51.2(16) . . . . ?
O042 S00S C041 F028 64.7(15) . . . . ?
O042 S00S C041 F04D -176.2(16) . . . . ?
O042 S00S N094 S00R -146.8(15) . . . . ?
C044 C021 C06N C08Q 12(3) . . . . ?
C045 C031 C09J C05G -2(2) . . . . ?
C045 C059 C095 C05G 3(3) . . . . ?
C046 P00O C031 C045 -60.4(15) . . . . ?
C046 P00O C031 C09J 112.3(13) . . . . ?
C046 P00O C05A C05E -62.2(14) . . . . ?
C046 P00O C05A C05Z 122.8(13) . . . . ?
C046 C04O C086 C04F 4(3) . . . . ?
C047 C029 C03C C06A -4(3) . . . . ?
C047 C02L C05S C06A 1(2) . . . . ?
C048 C05B C074 C02Y 2(2) . . . . ?
C049 C05X C06J C02S -2(3) . . . . ?
C04A C03U C067 P00F 177.3(12) . . . . ?
C04A C03U C067 C1 1(2) . . . . ?
C04A C04I C11 C1 2(3) . . . . ?
C04B C065 C06L C01W 1(3) . . . . ?
C04C C05V C07S C03T 3(3) . . . . ?
C04F C03O C075 C046 -8(3) . . . . ?
C04G C089 C37 C09D 4(4) . . . . ?
C04H C02C C02J C01A 0(3) . . . . ?
O04J S00R C058 F02O 66.2(18) . . . . ?
O04J S00R C058 F033 -174.1(16) . . . . ?
O04J S00R C058 F050 -57(2) . . . . ?
O04J S00R N094 S00S -158.4(13) . . . . ?
C04M C05U C084 P00N 179.2(14) . . . . ?
C04M C05U C084 C7 0(3) . . . . ?
C04M C062 C08Z C7 4(3) . . . . ?
C04O C046 C075 C03O 5(3) . . . . ?
C04Q C02Q O03Z C077 10(2) . . . . ?
C04R O01C C01X C098 -7(2) . . . . ?
C04R O01C C01X C09E 172.7(15) . . . . ?
C04T S00U N05Q S010 124.7(18) . . . . ?
C04U C05I C09G C03K 0(3) . . . . ?
C04X P00F C02Y C02R 33.8(13) . . . . ?
C04X P00F C02Y C074 -146.8(12) . . . . ?
C04X P00F C067 C03U 65.3(13) . . . . ?
C04X P00F C067 C1 -118.3(15) . . . . ?
C04X C02U C03V C08L -3(3) . . . . ?
C04X C03P C06Y C08L -2(3) . . . . ?
C052 C02T C03K C09G 2(3) . . . . ?
C052 C04U C05I C09G 4(3) . . . . ?
C055 C019 C01U Au01 123.7(12) . . . . ?
C055 C019 C01U Au02 -151.3(11) . . . . ?
C055 C019 C01U C01T 2.1(19) . . . . ?
C055 C02G C03T C07S 0(3) . . . . ?
C055 C04C C05V C07S -3(3) . . . . ?
C056 P00N C073 C05O 144.4(13) . . . . ?
C056 P00N C073 C07K -35.3(15) . . . . ?
C056 P00N C084 C05U 115.9(14) . . . . ?
C056 P00N C084 C7 -64.9(14) . . . . ?
C056 C02E C02X C05F 3(2) . . . . ?
C057 P00Q C021 C044 119.1(14) . . . . ?
C057 P00Q C021 C06N -51.6(16) . . . . ?
C057 P00Q C02T C03K -142.3(13) . . . . ?
C057 P00Q C02T C052 45.0(17) . . . . ?
C057 C040 C08S C07R -3(3) . . . . ?
C058 S00R N094 S00S 93.2(16) . . . . ?
C05A P00O C031 C045 49.7(15) . . . . ?
C05A P00O C031 C09J -137.6(12) . . . . ?
C05A P00O C046 C04O -43.6(14) . . . . ?
C05A P00O C046 C075 144.1(15) . . . . ?
C05A C05E C07T C34 3(3) . . . . ?
C05A C05Z C27 C34 -1(3) . . . . ?
C05C P00P C069 C15 -100.2(16) . . . . ?
C05C P00P C069 C18 83.7(16) . . . . ?
C05C P00P C9 C080 3(2) . . . . ?
C05C P00P C9 C083 179.9(13) . . . . ?
C05C C05W C08T C31 1(3) . . . . ?
C05D C01Z C09Q C06W 2(3) . . . . ?
C05E C05A C05Z C27 3(2) . . . . ?
C05E C07T C34 C27 0(3) . . . . ?
C05F C03L C06C C056 0(3) . . . . ?
C05H C05Y C13 P00I -177.7(13) . . . . ?
C05H C05Y C13 C03R -2(2) . . . . ?
C05I C04U C052 C02T -5(3) . . . . ?
C05L C05T C07K C073 1(3) . . . . ?
C05M C023 C02V C03Y -3(3) . . . . ?
C05M C07C C08M C03Y 9(4) . . . . ?
C05O C073 C07K C05T -1(3) . . . . ?
N05Q S00U C04T F027 -59(2) . . . . ?
N05Q S00U C04T F04E 180(2) . . . . ?
N05Q S00U C04T F07V 58.2(19) . . . . ?
N05Q S010 C36 F054 61(2) . . . . ?
N05Q S010 C36 F072 -179(2) . . . . ?
N05Q S010 C36 F07P -56(2) . . . . ?
C05R O016 C02K C01T 172.5(13) . . . . ?
C05R O016 C02K C04Q -5(2) . . . . ?
C05S C02L C047 C029 -2(2) . . . . ?
C05T C05L C07W C05O 0(3) . . . . ?
C05U C04M C062 C08Z -3(3) . . . . ?
C05U C084 C7 C08Z 1(3) . . . . ?
C05V C04C C055 C019 179.0(15) . . . . ?
C05V C04C C055 C02G 1(2) . . . . ?
C05W C05C C49 C08W -3(3) . . . . ?
C05W C08T C31 C08W -1(3) . . . . ?
C05X C049 C08O C032 -4(3) . . . . ?
C05Y C05H C09N C06M -3(3) . . . . ?
C05Z C05A C05E C07T -4(3) . . . . ?
C05Z C27 C34 C07T -1(3) . . . . ?
C062 C04M C05U C084 1(3) . . . . ?
C062 C08Z C7 C084 -3(3) . . . . ?
C067 P00F C02Y C02R -79.0(13) . . . . ?
C067 P00F C02Y C074 100.3(12) . . . . ?
C067 P00F C04X C02U -155.1(13) . . . . ?
C067 P00F C04X C03P 23.1(15) . . . . ?
C067 C03U C04A C04I 1(2) . . . . ?
C067 C1 C11 C04I 0(3) . . . . ?
C069 P00P C05C C05W -153.9(13) . . . . ?
C069 P00P C05C C49 27.4(18) . . . . ?
C069 P00P C9 C080 -106.4(19) . . . . ?
C069 P00P C9 C083 70.8(14) . . . . ?
C069 C15 C45 C43 -1(4) . . . . ?
C069 C18 C42 C43 -2(4) . . . . ?
C06C C03L C05F C02X 0(3) . . . . ?
C06D C07R C08S C040 4(3) . . . . ?
C06E C06Q C48 C09S -3(4) . . . . ?
O06H S011 N09C S00T 156(2) . . . . ?
O06H S011 C2 F20 -70(3) . . . . ?
O06H S011 C2 F28 164(3) . . . . ?
O06H S011 C2 F38 44(3) . . . . ?
C06I O01P C043 C093 -178.2(18) . . . . ?
C06I O01P C043 C098 2(3) . . . . ?
C06J C02S C032 C08O 4(2) . . . . ?
C06K C025 C03A C01N 0(2) . . . . ?
C06K C025 C03A C04G -177.5(16) . . . . ?
C06K C025 C09D C37 179.7(19) . . . . ?
C06M C03R C13 P00I -180.0(13) . . . . ?
C06M C03R C13 C05Y 4(2) . . . . ?
C06N C021 C044 C44 -14(3) . . . . ?
C06N C08Q C32 C44 2(4) . . . . ?
O06P S010 N05Q S00U 160.3(16) . . . . ?
O06P S010 C36 F054 175.5(19) . . . . ?
O06P S010 C36 F072 -64(2) . . . . ?
O06P S010 C36 F07P 59(2) . . . . ?
C06Q C06E C08B C07L -2(3) . . . . ?
C06W P00L C023 C02V -106.5(15) . . . . ?
C06W P00L C023 C05M 72.6(15) . . . . ?
C06W P00L C02L C047 36.7(14) . . . . ?
C06W P00L C02L C05S -140.3(12) . . . . ?
C06W C02B C07A C05D -5(3) . . . . ?
C06Y C03P C04X P00F -178.1(13) . . . . ?
C06Y C03P C04X C02U 0(2) . . . . ?
C073 P00N C056 C02E -89.0(12) . . . . ?
C073 P00N C056 C06C 86.6(14) . . . . ?
C073 P00N C084 C05U 5.4(16) . . . . ?
C073 P00N C084 C7 -175.4(13) . . . . ?
C073 C05O C07W C05L 0(3) . . . . ?
C075 C03O C04F C086 9(3) . . . . ?
C075 C046 C04O C086 -3(3) . . . . ?
C07A C02B C06W P00L -179.2(13) . . . . ?
C07A C02B C06W C09Q 1(3) . . . . ?
C07L P00K C026 C01A -141.7(13) . . . . ?
C07L P00K C026 C08N 39.9(15) . . . . ?
C07L P00K C02S C032 98.3(14) . . . . ?
C07L P00K C02S C06J -87.4(13) . . . . ?
C07L C09S C48 C06Q 1(3) . . . . ?
C07R C06D C09P C057 1(3) . . . . ?
C07W C05L C05T C07K -1(3) . . . . ?
C07W C05O C073 P00N -179.2(14) . . . . ?
C07W C05O C073 C07K 1(2) . . . . ?
C084 P00N C056 C02E 159.0(12) . . . . ?
C084 P00N C056 C06C -25.3(15) . . . . ?
C084 P00N C073 C05O -103.8(13) . . . . ?
C084 P00N C073 C07K 76.5(15) . . . . ?
C08A C068 C39 C080 9(5) . . . . ?
C08A C083 C9 P00P -179.5(15) . . . . ?
C08A C083 C9 C080 -2(3) . . . . ?
C08B C06E C06Q C48 4(4) . . . . ?
C08B C07L C09S C48 1(3) . . . . ?
C08O C049 C05X C06J 5(3) . . . . ?
C08Q C32 C44 C044 -2(3) . . . . ?
C08S C040 C057 P00Q -174.8(14) . . . . ?
C08S C040 C057 C09P 1(2) . . . . ?
C093 C043 C098 C01X -2(3) . . . . ?
C093 C06K C09E C01X -5(2) . . . . ?
C093 C06K C09E C03X 175.8(14) . . . . ?
N094 S00R C058 F02O -177.3(15) . . . . ?
N094 S00R C058 F033 -57.6(17) . . . . ?
N094 S00R C058 F050 60(2) . . . . ?
N094 S00S C041 F020 61.3(15) . . . . ?
N094 S00S C041 F028 177.2(13) . . . . ?
N094 S00S C041 F04D -63.7(16) . . . . ?
C095 C05G C09J C031 0(3) . . . . ?
C098 C01X C09E C03X -177.5(14) . . . . ?
C098 C01X C09E C06K 3(2) . . . . ?
C098 C043 C093 C06K 1(3) . . . . ?
N09C S00T C29 F15 -61(2) . . . . ?
N09C S00T C29 F18 -178.5(19) . . . . ?
N09C S00T C29 F21 68(3) . . . . ?
N09C S011 C2 F20 176(3) . . . . ?
N09C S011 C2 F28 50(3) . . . . ?
N09C S011 C2 F38 -71(2) . . . . ?
C09D C025 C03A C01N -179.5(16) . . . . ?
C09D C025 C03A C04G 3(2) . . . . ?
C09D C025 C06K C093 3(2) . . . . ?
C09D C025 C06K C09E -178.0(16) . . . . ?
C09E C01X C098 C043 0(2) . . . . ?
C09E C06K C093 C043 3(2) . . . . ?
C09J C031 C045 C059 4(3) . . . . ?
C09J C05G C095 C059 -1(3) . . . . ?
C09N C05H C05Y C13 1(3) . . . . ?
C09P C06D C07R C08S -3(3) . . . . ?
C09Q C01Z C05D C07A -7(3) . . . . ?
C09S C07L C08B C06E 0(3) . . . . ?
C8 C022 C03J C02Z 5(3) . . . . ?
C9 P00P C05C C05W 96.8(14) . . . . ?
C9 P00P C05C C49 -81.9(17) . . . . ?
C9 P00P C069 C15 9.5(17) . . . . ?
C9 P00P C069 C18 -166.6(14) . . . . ?
C9 C080 C39 C068 -9(5) . . . . ?
C9 C083 C08A C068 2(3) . . . . ?
C13 P00I C02A C018 -86.9(12) . . . . ?
C13 P00I C02A C8 86.9(13) . . . . ?
C13 P00I C02N C01F 174.4(12) . . . . ?
C13 P00I C02N C04B -6.8(15) . . . . ?
C13 C03R C06M C09N -6(3) . . . . ?
C15 C069 C18 C42 2(3) . . . . ?
C18 C069 C15 C45 0(3) . . . . ?
C18 C42 C43 C45 1(4) . . . . ?
C31 C08W C49 C05C 3(4) . . . . ?
C39 C068 C08A C083 -6(4) . . . . ?
C39 C080 C9 P00P -177(2) . . . . ?
C39 C080 C9 C083 6(4) . . . . ?
C42 C43 C45 C15 1(4) . . . . ?
C49 C05C C05W C08T 1(3) . . . . ?
C49 C08W C31 C08T -1(4) . . . . ?
O26 S010 N05Q S00U 25(2) . . . . ?
O26 S010 C36 F054 -60(2) . . . . ?
O26 S010 C36 F072 61(2) . . . . ?
O26 S010 C36 F07P -177(2) . . . . ?
C36 S010 N05Q S00U -90(2) . . . . ?
O25 S011 N09C S00T 10(3) . . . . ?
O25 S011 C2 F20 53(3) . . . . ?
O25 S011 C2 F28 -73(3) . . . . ?
O25 S011 C2 F38 167(2) . . . . ?
C2 S011 N09C S00T -96(2) . . . . ?
N13 S1 C26 F14 81(4) . . . . ?
N13 S1 C26 F27 -46(4) . . . . ?
N13 S1 C26 F29 -151(3) . . . . ?
N13 S2 C61 F2 -61(3) . . . . ?
N13 S2 C61 F1 61(3) . . . . ?
N13 S2 C61 F22 -172(3) . . . . ?
C29 S00T N09C S011 -83.3(18) . . . . ?
O8 S1 N13 S2 167(2) . . . . ?
O8 S1 C26 F14 -161(4) . . . . ?
O8 S1 C26 F27 71(4) . . . . ?
O8 S1 C26 F29 -34(4) . . . . ?
O11 S1 N13 S2 32(3) . . . . ?
O11 S1 C26 F14 -41(4) . . . . ?
O11 S1 C26 F27 -168(4) . . . . ?
O11 S1 C26 F29 86(3) . . . . ?
O23 S2 N13 S1 21(3) . . . . ?
O23 S2 C61 F2 178(2) . . . . ?
O23 S2 C61 F1 -60(3) . . . . ?
O23 S2 C61 F22 67(3) . . . . ?
O1 S2 N13 S1 158(2) . . . . ?
O1 S2 C61 F2 52(3) . . . . ?
O1 S2 C61 F1 173(3) . . . . ?
O1 S2 C61 F22 -60(3) . . . . ?
C26 S1 N13 S2 -79(3) . . . . ?
C61 S2 N13 S1 -93(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 9.5 0.0 ?
2 -0.168 0.148 -0.014 130.9 41.6 '1 CH3CH2OCH2CH3'
3 -0.377 0.290 0.312 361.3 69.2 '1.8 CH3CH2OCH2CH3'
4 0.377 0.710 0.688 361.3 69.1 '1.8 CH3CH2OCH2CH3'
5 0.168 0.852 0.014 130.9 36.0 '1 CH3CH2OCH2CH3'
6 0.454 0.734 0.295 125.7 38.2 '1 CH3CH2OCH2CH3'
7 0.546 0.266 0.705 125.7 48.8 '0.8 CH3CH2OCH2CH3'
8 0.500 0.000 0.500 21.6 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'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.560
_oxdiff_exptl_absorpt_empirical_full_min 0.724
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.5808(8) 88509 92082 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.4192(8) 88394 92082 nmt -0.4982 0.0002 -0.5018 0.0002 -0.9998 0.0001
-1.4988 -0.0002 0.4977

_twin_special_details            
;
Component 2 rotated by 179.9849° 
around [-0.32 0.00 0.95] (reciprocal) or [-0.71 -0.00 0.71] (direct)
;

# start Validation Reply Form
_vrf_PLAT213_1_twin1_hklf4       
;
PROBLEM: Atom C01T            has ADP max/min Ratio .....        4.2 prolat
         Atom C02A            has ADP max/min Ratio .....        4.2 oblate
RESPONSE: Due to the twinning present in the crystal and disorder that 
could not be modeled, some atoms display a high ADP ratio.
;
_vrf_PLAT342_1_twin1_hklf4       
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02541 Ang.  
RESPONSE: This alert results from moderate diffracting crystal and 
quality of the data.
;
_vrf_PLAT412_1_twin1_hklf4       
;
PROBLEM: Short Intra XH3 .. XHn     H04Q     ..H05C     .       1.70 Ang.  
RESPONSE: This is due to the disorder in the OCH3 group of 
1,3-dimethoxyphenanthrene, the average positions of H atoms on 
the OCH3 and Ph groups are close.
;
# 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
_database_code_depnum_ccdc_archive 'CCDC 2286452'
loop_
_audit_author_name
_audit_author_address
'Qian Liu'
;Tsinghua University
China
;
_audit_update_record             
;
2024-02-06 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_audit_creation_date             2024-02-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.17 svn.r577a77a9 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C172 H130 Au11 P6, 3(C2 F6 N O4 S2), 4[CH3CH2OCH2CH3]'
_chemical_formula_sum            'C194 H170 Au11 F18 N3 O16 P6 S6'
_chemical_formula_weight         5686.13
_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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.4994(3)
_cell_length_b                   19.4956(2)
_cell_length_c                   33.2461(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.7470(10)
_cell_angle_gamma                90
_cell_volume                     18784.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    37407
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      75.2290
_cell_measurement_theta_min      4.0130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    17.480
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10800
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            62834
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.464
_diffrn_reflns_theta_min         3.640
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -113.00 -29.00   1.00    5.78    --  -41.81 -57.00  60.00   84
  2  ω    -67.00  34.00   1.00    5.78    --  -41.81  77.00-180.00  101
  3  ω      0.00  74.00   1.00    5.78    --   41.81 -77.00 -30.00   74
  4  ω     16.00 114.00   1.00    5.78    --   41.81  57.00 -60.00   98
  5  ω     38.00 126.00   1.00   20.63    --  109.96 -45.00   0.00   88
  6  ω    108.00 165.00   1.00   20.63    --  109.96  45.00   0.00   57
  7  ω     38.00  73.00   1.00   20.63    --  109.96 -77.00-180.00   35
  8  ω     96.00 130.00   1.00   20.63    --  109.96 -61.00  30.00   34
  9  ω     72.00 111.00   1.00   20.63    --  109.96-125.00-150.00   39
 10  ω    136.00 178.00   1.00   20.63    --  109.96  77.00  30.00   42
 11  ω     28.00  54.00   1.00   20.63    --  109.96 -95.00  60.00   26
 12  ω     28.00 106.00   1.00   20.63    --  109.96 -95.00-120.00   78
 13  ω     77.00 111.00   1.00   20.63    --  109.96-125.00   0.00   34
 14  ω     45.00 112.00   1.00   20.63    --  109.96 -45.00-120.00   67
 15  ω     28.00 106.00   1.00   20.63    --  109.96 -95.00  30.00   78
 16  ω     81.00 106.00   1.00   20.63    --  109.96 -95.00  60.00   25
 17  ω    146.00 171.00   1.00   20.63    --  109.96  77.00 -60.00   25
 18  ω     27.00 178.00   1.00   20.63    --  109.96   0.00 150.00  151
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17707
_reflns_number_total             19076
_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       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.336
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1055
_refine_ls_number_reflns         19076
_refine_ls_number_restraints     113
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0342
_refine_ls_restrained_S_all      1.027
_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)+(0.0424P)²+130.8238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0885
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 S00B-C6
 1.846 with sigma of 0.02
 F23-C6
 1.319 with sigma of 0.02
 F16-C6
 1.319 with sigma of 0.02
 C6-F9
 1.319 with sigma of 0.02
3. Rigid body (RIGU) restrains
 F16, S00A, O01M, O029, C030, N14, F017, F023, F02F, S00B, O02Z, O11, C6, F9,
 F23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00L(H00L), C00N(H00N), C00O(H00O), C00R(H00R), C00U(H00U),
 C00V(H00V), C00X(H00X), C00Z(H00Z), C010(H010), C011(H011), C014(H014),
 C015(H015), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C), C01E(H01E),
 C01G(H01G), C01I(H01I), C01J(H01J), C01N(H01N), C01O(H01O), C01P(H01P),
 C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W),
 C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022),
 C024(H024), C025(H025), C026(H026), C027(H027), C028(H028), C02A(H02A),
 C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02G(H02G), C02H(H02H),
 C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N),
 C02O(H02O), C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S), C02T(H02T),
 C02U(H02U), C02V(H02V), C02X(H02X), C02Y(H02Y), C031(H031)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.500000 0.65868(2) 0.250000 0.02290(6) Uani 1 2 d S T P . .
Au02 Au 0.42927(2) 0.60727(2) 0.28175(2) 0.02593(5) Uani 1 1 d . . . . .
Au03 Au 0.47285(2) 0.57702(2) 0.16994(2) 0.02712(5) Uani 1 1 d . . . . .
Au04 Au 0.49373(2) 0.63225(2) 0.39358(2) 0.03176(6) Uani 1 1 d . . . . .
Au05 Au 0.40447(2) 0.52044(2) 0.20479(2) 0.03139(6) Uani 1 1 d . . . . .
Au06 Au 0.39429(2) 0.65044(2) 0.34696(2) 0.03403(6) Uani 1 1 d . . . . .
P007 P 0.37456(5) 0.41800(7) 0.22016(5) 0.0357(3) Uani 1 1 d . . . . .
P008 P 0.34074(5) 0.73046(8) 0.35553(4) 0.0379(3) Uani 1 1 d . . . . .
P009 P 0.51432(5) 0.72750(8) 0.43275(4) 0.0373(3) Uani 1 1 d . . . . .
S00A S 0.15792(9) 0.56912(12) 0.43680(8) 0.0780(6) Uani 1 1 d . . . . .
S00B S 0.20789(15) 0.50253(16) 0.50551(9) 0.1102(11) Uani 1 1 d D . . . .
C00D C 0.42754(16) 0.6662(2) 0.22578(14) 0.0236(9) Uani 1 1 d . . . . .
C00E C 0.41483(16) 0.6249(2) 0.19059(15) 0.0259(9) Uani 1 1 d . . . . .
C00F C 0.40800(16) 0.7329(3) 0.22643(15) 0.0278(10) Uani 1 1 d . . . . .
C00G C 0.42636(17) 0.5522(3) 0.33649(14) 0.0309(11) Uani 1 1 d . . . . .
C00H C 0.47212(17) 0.5403(3) 0.35862(16) 0.0315(11) Uani 1 1 d . . . . .
C00I C 0.37549(17) 0.7578(3) 0.19250(15) 0.0289(10) Uani 1 1 d . . . . .
C00K C 0.38276(17) 0.6510(3) 0.15658(16) 0.0318(11) Uani 1 1 d . . . . .
H00K H 0.374374 0.623047 0.132963 0.038 Uiso 1 1 calc R U . . .
C00L C 0.42126(19) 0.7765(3) 0.26051(17) 0.0361(12) Uani 1 1 d . . . . .
H00L H 0.443185 0.760593 0.283218 0.043 Uiso 1 1 calc R U . . .
C00M C 0.36369(17) 0.7148(3) 0.15676(15) 0.0318(11) Uani 1 1 d . . . . .
C00N C 0.4433(2) 0.7030(4) 0.4734(2) 0.0512(16) Uani 1 1 d . . . . .
H00N H 0.446554 0.656936 0.465041 0.061 Uiso 1 1 calc R U . . .
C00O C 0.3565(2) 0.8238(3) 0.19538(18) 0.0404(13) Uani 1 1 d . . . . .
H00O H 0.333983 0.840392 0.173362 0.048 Uiso 1 1 calc R U . . .
C00P C 0.3555(2) 0.3647(3) 0.17535(19) 0.0436(14) Uani 1 1 d . . . . .
C00Q C 0.4454(2) 0.4293(3) 0.38273(18) 0.0413(13) Uani 1 1 d . . . . .
C00R C 0.4034(2) 0.8410(3) 0.26172(19) 0.0412(13) Uani 1 1 d . . . . .
H00R H 0.413612 0.869980 0.284582 0.049 Uiso 1 1 calc R U . . .
C00S C 0.3205(2) 0.7200(4) 0.40290(19) 0.0472(15) Uani 1 1 d . . . . .
C00T C 0.3997(2) 0.4448(3) 0.36231(17) 0.0418(13) Uani 1 1 d . . . . .
C00U C 0.5154(2) 0.7948(4) 0.35950(19) 0.0447(14) Uani 1 1 d . . . . .
H00U H 0.501078 0.754484 0.347100 0.054 Uiso 1 1 calc R U . . .
C00V C 0.2981(2) 0.7154(4) 0.27463(19) 0.0473(14) Uani 1 1 d . . . . .
H00V H 0.328169 0.723148 0.269147 0.057 Uiso 1 1 calc R U . . .
C00W C 0.4814(2) 0.4766(3) 0.38046(16) 0.0346(11) Uani 1 1 d . . . . .
C00X C 0.4544(2) 0.3995(3) 0.2772(2) 0.0444(14) Uani 1 1 d . . . . .
H00X H 0.458870 0.447188 0.273633 0.053 Uiso 1 1 calc R U . . .
C00Y C 0.3232(2) 0.4326(3) 0.24150(17) 0.0378(12) Uani 1 1 d . . . . .
C00Z C 0.3916(2) 0.5036(3) 0.33922(17) 0.0398(13) Uani 1 1 d . . . . .
H00Z H 0.361339 0.511801 0.324433 0.048 Uiso 1 1 calc R U . . .
C010 C 0.3698(2) 0.8641(3) 0.2289(2) 0.0460(14) Uani 1 1 d . . . . .
H010 H 0.356285 0.908051 0.230108 0.055 Uiso 1 1 calc R U . . .
C011 C 0.2968(2) 0.3795(4) 0.2519(2) 0.0481(15) Uani 1 1 d . . . . .
H011 H 0.305450 0.333462 0.247628 0.058 Uiso 1 1 calc R U . . .
C012 C 0.3557(2) 0.8209(4) 0.35201(19) 0.0449(14) Uani 1 1 d . . . . .
C013 C 0.4700(2) 0.7540(4) 0.46134(18) 0.0477(15) Uani 1 1 d . . . . .
C014 C 0.2580(2) 0.3922(4) 0.2684(2) 0.0527(16) Uani 1 1 d . . . . .
H014 H 0.239965 0.354952 0.275070 0.063 Uiso 1 1 calc R U . . .
C015 C 0.4872(3) 0.3626(5) 0.3036(2) 0.0605(19) Uani 1 1 d . . . . .
H015 H 0.514106 0.385011 0.317764 0.073 Uiso 1 1 calc R U . . .
C016 C 0.29084(19) 0.7162(3) 0.31472(19) 0.0405(13) Uani 1 1 d . . . . .
F017 F 0.1616(2) 0.4858(3) 0.3753(2) 0.104(2) Uani 1 1 d . . . . .
C018 C 0.5270(2) 0.7985(3) 0.40178(19) 0.0427(13) Uani 1 1 d . . . . .
C019 C 0.3101(2) 0.4993(3) 0.2482(2) 0.0444(14) Uani 1 1 d . . . . .
H019 H 0.327849 0.536581 0.241201 0.053 Uiso 1 1 calc R U . . .
C01A C 0.3117(3) 0.6539(4) 0.4150(2) 0.0562(18) Uani 1 1 d . . . . .
H01A H 0.316580 0.615920 0.398370 0.067 Uiso 1 1 calc R U . . .
C01B C 0.5272(2) 0.4601(3) 0.4006(2) 0.0469(15) Uani 1 1 d . . . . .
H01B H 0.551437 0.491887 0.399754 0.056 Uiso 1 1 calc R U . . .
C01C C 0.5242(3) 0.8484(4) 0.3350(2) 0.0602(19) Uani 1 1 d . . . . .
H01C H 0.516503 0.844874 0.306040 0.072 Uiso 1 1 calc R U . . .
C01D C 0.4149(2) 0.3677(3) 0.2556(2) 0.0434(13) Uani 1 1 d . . . . .
C01E C 0.3995(3) 0.8405(4) 0.3698(2) 0.0549(17) Uani 1 1 d . . . . .
H01E H 0.420876 0.807412 0.382907 0.066 Uiso 1 1 calc R U . . .
C01F C 0.3328(2) 0.7403(4) 0.11894(17) 0.0421(13) Uani 1 1 d . . . . .
C01G C 0.3139(2) 0.7750(5) 0.4277(2) 0.0560(18) Uani 1 1 d . . . . .
H01G H 0.320147 0.820381 0.419825 0.067 Uiso 1 1 calc R U . . .
C01H C 0.3596(2) 0.3987(4) 0.36394(19) 0.0489(16) Uani 1 1 d . . . . .
C01I C 0.2451(2) 0.4593(4) 0.2753(2) 0.0545(17) Uani 1 1 d . . . . .
H01I H 0.218526 0.467915 0.286795 0.065 Uiso 1 1 calc R U . . .
C01J C 0.5369(3) 0.4000(4) 0.4209(2) 0.0574(19) Uani 1 1 d . . . . .
H01J H 0.567811 0.388939 0.432946 0.069 Uiso 1 1 calc R U . . .
C01K C 0.5660(2) 0.7155(4) 0.47117(19) 0.0497(16) Uani 1 1 d . . . . .
O01M O 0.1801(3) 0.6330(3) 0.4487(2) 0.088(2) Uani 1 1 d . . . . .
C01N C 0.4559(3) 0.3686(3) 0.4059(2) 0.0528(18) Uani 1 1 d . . . . .
H01N H 0.431804 0.337775 0.408944 0.063 Uiso 1 1 calc R U . . .
C01O C 0.2473(2) 0.7043(4) 0.3226(2) 0.0502(15) Uani 1 1 d . . . . .
H01O H 0.242132 0.705099 0.349967 0.060 Uiso 1 1 calc R U . . .
C01P C 0.4114(2) 0.7191(5) 0.4979(2) 0.063(2) Uani 1 1 d . . . . .
H01P H 0.392693 0.684130 0.506121 0.076 Uiso 1 1 calc R U . . .
C01R C 0.5488(3) 0.8584(4) 0.4195(2) 0.0560(17) Uani 1 1 d . . . . .
H01R H 0.557836 0.861636 0.448412 0.067 Uiso 1 1 calc R U . . .
C01S C 0.2964(2) 0.6989(4) 0.0999(2) 0.0485(15) Uani 1 1 d . . . . .
H01S H 0.291020 0.655513 0.111146 0.058 Uiso 1 1 calc R U . . .
C01T C 0.2108(2) 0.6911(4) 0.2904(3) 0.0571(18) Uani 1 1 d . . . . .
H01T H 0.180875 0.682386 0.295828 0.069 Uiso 1 1 calc R U . . .
C01U C 0.2709(2) 0.5126(4) 0.2653(2) 0.0546(17) Uani 1 1 d . . . . .
H01U H 0.262376 0.558463 0.269990 0.066 Uiso 1 1 calc R U . . .
C01V C 0.3415(2) 0.8020(4) 0.10107(19) 0.0489(15) Uani 1 1 d . . . . .
H01V H 0.367174 0.829007 0.113413 0.059 Uiso 1 1 calc R U . . .
C01W C 0.2615(3) 0.7032(4) 0.2425(2) 0.0553(17) Uani 1 1 d . . . . .
H01W H 0.266353 0.703458 0.215064 0.066 Uiso 1 1 calc R U . . .
C01X C 0.6005(3) 0.6741(5) 0.4619(3) 0.067(2) Uani 1 1 d . . . . .
H01X H 0.596706 0.651134 0.436299 0.081 Uiso 1 1 calc R U . . .
C01Y C 0.5005(3) 0.3538(4) 0.4239(2) 0.062(2) Uani 1 1 d . . . . .
H01Y H 0.507124 0.312117 0.438678 0.074 Uiso 1 1 calc R U . . .
C01Z C 0.4086(3) 0.2977(4) 0.2620(3) 0.0612(19) Uani 1 1 d . . . . .
H01Z H 0.381565 0.275001 0.248287 0.073 Uiso 1 1 calc R U . . .
C020 C 0.5714(3) 0.7509(5) 0.5091(2) 0.065(2) Uani 1 1 d . . . . .
H020 H 0.547323 0.778915 0.515403 0.077 Uiso 1 1 calc R U . . .
C021 C 0.4643(3) 0.8220(5) 0.4725(3) 0.075(3) Uani 1 1 d . . . . .
H021 H 0.481566 0.857602 0.462965 0.090 Uiso 1 1 calc R U . . .
C022 C 0.3599(3) 0.3305(4) 0.3523(2) 0.066(2) Uani 1 1 d . . . . .
H022 H 0.386190 0.311522 0.343716 0.079 Uiso 1 1 calc R U . . .
F023 F 0.2258(3) 0.5329(5) 0.4018(3) 0.140(3) Uani 1 1 d . . . . .
C024 C 0.3241(3) 0.8685(4) 0.3330(2) 0.0564(17) Uani 1 1 d . . . . .
H024 H 0.293718 0.854610 0.320994 0.068 Uiso 1 1 calc R U . . .
C025 C 0.4124(3) 0.9082(5) 0.3687(3) 0.072(2) Uani 1 1 d . . . . .
H025 H 0.442741 0.921768 0.381046 0.087 Uiso 1 1 calc R U . . .
C026 C 0.2181(3) 0.6907(4) 0.2508(2) 0.0575(18) Uani 1 1 d . . . . .
H026 H 0.193045 0.681794 0.228966 0.069 Uiso 1 1 calc R U . . .
C027 C 0.3206(3) 0.4255(5) 0.3766(2) 0.063(2) Uani 1 1 d . . . . .
H027 H 0.320432 0.472027 0.385139 0.076 Uiso 1 1 calc R U . . .
C028 C 0.2959(3) 0.6431(5) 0.4511(2) 0.067(2) Uani 1 1 d . . . . .
H028 H 0.289716 0.597911 0.459346 0.081 Uiso 1 1 calc R U . . .
O029 O 0.1084(3) 0.5685(5) 0.4217(4) 0.131(3) Uani 1 1 d . . . . .
C02A C 0.5570(3) 0.9124(4) 0.3951(3) 0.071(2) Uani 1 1 d . . . . .
H02A H 0.571221 0.953080 0.407151 0.085 Uiso 1 1 calc R U . . .
C02B C 0.4810(3) 0.2935(5) 0.3096(3) 0.074(2) Uani 1 1 d . . . . .
H02B H 0.503448 0.268436 0.328051 0.089 Uiso 1 1 calc R U . . .
C02C C 0.2983(2) 0.7640(6) 0.4641(2) 0.067(2) Uani 1 1 d . . . . .
H02C H 0.294021 0.801585 0.481223 0.081 Uiso 1 1 calc R U . . .
C02D C 0.3829(3) 0.3139(5) 0.1641(3) 0.069(2) Uani 1 1 d . . . . .
H02D H 0.412139 0.304217 0.180566 0.083 Uiso 1 1 calc R U . . .
C02E C 0.3812(3) 0.9569(4) 0.3495(3) 0.071(2) Uani 1 1 d . . . . .
H02E H 0.390056 1.003626 0.348570 0.085 Uiso 1 1 calc R U . . .
F02F F 0.1722(4) 0.5906(5) 0.3636(2) 0.153(3) Uani 1 1 d . . . . .
C02G C 0.5445(3) 0.9073(5) 0.3533(3) 0.071(2) Uani 1 1 d . . . . .
H02G H 0.549854 0.944946 0.336611 0.085 Uiso 1 1 calc R U . . .
C02H C 0.6467(3) 0.7007(6) 0.5277(3) 0.084(3) Uani 1 1 d . . . . .
H02H H 0.674432 0.694846 0.547144 0.100 Uiso 1 1 calc R U . . .
C02I C 0.2765(3) 0.7849(5) 0.0479(2) 0.065(2) Uani 1 1 d . . . . .
H02I H 0.256564 0.800996 0.023986 0.078 Uiso 1 1 calc R U . . .
C02J C 0.2677(3) 0.7223(5) 0.0640(2) 0.059(2) Uani 1 1 d . . . . .
H02J H 0.242508 0.695201 0.050922 0.071 Uiso 1 1 calc R U . . .
C02K C 0.4069(3) 0.7857(6) 0.5101(2) 0.074(3) Uani 1 1 d . . . . .
H02K H 0.385558 0.796280 0.527371 0.088 Uiso 1 1 calc R U . . .
C02L C 0.3206(4) 0.2892(5) 0.3533(2) 0.077(3) Uani 1 1 d . . . . .
H02L H 0.320523 0.242333 0.345526 0.092 Uiso 1 1 calc R U . . .
C02M C 0.4427(3) 0.2614(5) 0.2889(3) 0.079(3) Uani 1 1 d . . . . .
H02M H 0.438956 0.213579 0.292695 0.095 Uiso 1 1 calc R U . . .
C02N C 0.3135(3) 0.3789(4) 0.1505(2) 0.0602(19) Uani 1 1 d . . . . .
H02N H 0.294206 0.413971 0.157923 0.072 Uiso 1 1 calc R U . . .
C02O C 0.3372(3) 0.9365(4) 0.3317(3) 0.070(2) Uani 1 1 d . . . . .
H02O H 0.315722 0.969428 0.318491 0.084 Uiso 1 1 calc R U . . .
C02P C 0.2828(3) 0.3169(6) 0.3653(3) 0.085(3) Uani 1 1 d . . . . .
H02P H 0.256545 0.288966 0.365756 0.103 Uiso 1 1 calc R U . . .
C02Q C 0.3134(3) 0.8249(5) 0.0655(2) 0.062(2) Uani 1 1 d . . . . .
H02Q H 0.319431 0.867314 0.053443 0.075 Uiso 1 1 calc R U . . .
C02R C 0.2892(3) 0.6985(6) 0.4752(2) 0.069(2) Uani 1 1 d . . . . .
H02R H 0.278055 0.691124 0.499871 0.083 Uiso 1 1 calc R U . . .
C02S C 0.6124(3) 0.7436(7) 0.5366(2) 0.086(3) Uani 1 1 d . . . . .
H02S H 0.617094 0.768065 0.561693 0.103 Uiso 1 1 calc R U . . .
C02T C 0.3261(4) 0.2906(5) 0.1036(3) 0.075(3) Uani 1 1 d . . . . .
H02T H 0.316031 0.264786 0.079338 0.090 Uiso 1 1 calc R U . . .
C02U C 0.4329(3) 0.8369(6) 0.4978(3) 0.085(3) Uani 1 1 d . . . . .
H02U H 0.429623 0.882707 0.506555 0.103 Uiso 1 1 calc R U . . .
C02V C 0.6410(3) 0.6666(6) 0.4908(3) 0.087(3) Uani 1 1 d . . . . .
H02V H 0.664863 0.637586 0.484998 0.105 Uiso 1 1 calc R U . . .
C02X C 0.2821(3) 0.3847(6) 0.3769(3) 0.081(3) Uani 1 1 d . . . . .
H02X H 0.255408 0.403361 0.385060 0.097 Uiso 1 1 calc R U . . .
C02Y C 0.2994(3) 0.3415(5) 0.1143(3) 0.078(3) Uani 1 1 d . . . . .
H02Y H 0.270721 0.351929 0.097088 0.093 Uiso 1 1 calc R U . . .
O02Z O 0.2338(4) 0.5639(5) 0.5187(3) 0.150(4) Uani 1 1 d . . . . .
C030 C 0.1799(4) 0.5433(6) 0.3913(4) 0.088(2) Uani 1 1 d . . . . .
C031 C 0.3677(4) 0.2767(6) 0.1283(3) 0.086(3) Uani 1 1 d . . . . .
H031 H 0.386587 0.241129 0.120866 0.103 Uiso 1 1 calc R U . . .
N14 N 0.1698(5) 0.5068(6) 0.4651(3) 0.131(4) Uani 1 1 d . . . . .
O11 O 0.2364(5) 0.4411(5) 0.5083(3) 0.156(4) Uani 1 1 d . . . . .
F9 F 0.2011(5) 0.4803(9) 0.5793(3) 0.240(6) Uani 1 1 d D . . . .
F16 F 0.1436(6) 0.5399(9) 0.5431(4) 0.246(7) Uani 1 1 d D . . . .
F23 F 0.1455(6) 0.4338(8) 0.5335(5) 0.260(7) Uani 1 1 d D . . . .
C6 C 0.1722(6) 0.4883(11) 0.5436(5) 0.175(6) Uani 1 1 d D . . . .
S1 S 0.46221(14) 0.05134(19) 0.26889(14) 0.1205(12) Uani 1 1 d . . . . .
F3 F 0.4074(4) 0.1387(5) 0.2223(4) 0.195(6) Uani 1 1 d . . . . .
F4 F 0.4184(6) 0.0464(7) 0.1935(4) 0.291(11) Uani 1 1 d . . . . .
F5 F 0.3750(4) 0.0487(7) 0.2407(6) 0.245(9) Uani 1 1 d . . . . .
O6 O 0.4496(7) 0.0891(7) 0.3039(4) 0.215(8) Uani 1 1 d . . . . .
O8 O 0.4615(6) -0.0203(6) 0.2685(6) 0.233(8) Uani 1 1 d . . . . .
N9 N 0.500000 0.0953(11) 0.250000 0.135(6) Uani 1 2 d S T P . .
C10 C 0.4219(11) 0.0811(11) 0.2242(9) 0.30(2) Uani 1 1 d . . . . .


_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 2.7007(2) 2_655 ?
Au01 Au02 2.7006(2) . ?
Au01 Au03 3.0767(2) 2_655 ?
Au01 Au03 3.0766(2) . ?
Au01 C00D 2.144(5) 2_655 ?
Au01 C00D 2.144(5) . ?
Au02 Au03 3.0880(3) 2_655 ?
Au02 Au05 3.0413(3) . ?
Au02 Au06 2.7033(3) . ?
Au02 C00D 2.180(4) . ?
Au02 C00G 2.129(5) . ?
Au03 Au04 2.7141(3) 2_655 ?
Au03 Au05 2.7385(3) . ?
Au03 C00E 2.170(5) . ?
Au03 C00H 2.150(5) 2_655 ?
Au04 Au06 3.0719(3) . ?
Au04 P009 2.2844(15) . ?
Au04 C00H 2.166(6) . ?
Au05 P007 2.2796(14) . ?
Au05 C00E 2.125(5) . ?
Au06 P008 2.2755(14) . ?
Au06 C00G 2.193(6) . ?
P007 C00P 1.817(6) . ?
P007 C00Y 1.812(6) . ?
P007 C01D 1.803(6) . ?
P008 C00S 1.797(6) . ?
P008 C012 1.827(7) . ?
P008 C016 1.828(6) . ?
P009 C013 1.828(7) . ?
P009 C018 1.806(6) . ?
P009 C01K 1.812(6) . ?
S00A O01M 1.429(7) . ?
S00A O029 1.454(9) . ?
S00A C030 1.825(11) . ?
S00A N14 1.536(12) . ?
S00B O02Z 1.442(9) . ?
S00B N14 1.586(12) . ?
S00B O11 1.456(11) . ?
S00B C6 1.813(14) . ?
C00D C00E 1.413(7) . ?
C00D C00F 1.423(7) . ?
C00E C00K 1.426(7) . ?
C00F C00I 1.423(7) . ?
C00F C00L 1.412(7) . ?
C00G C00H 1.431(7) . ?
C00G C00Z 1.411(7) . ?
C00H C00W 1.439(7) . ?
C00I C00M 1.442(7) . ?
C00I C00O 1.413(7) . ?
C00K H00K 0.9500 . ?
C00K C00M 1.366(8) . ?
C00L H00L 0.9500 . ?
C00L C00R 1.367(8) . ?
C00M C01F 1.494(7) . ?
C00N H00N 0.9500 . ?
C00N C013 1.374(10) . ?
C00N C01P 1.389(10) . ?
C00O H00O 0.9500 . ?
C00O C010 1.360(9) . ?
C00P C02D 1.374(11) . ?
C00P C02N 1.385(10) . ?
C00Q C00T 1.423(9) . ?
C00Q C00W 1.421(8) . ?
C00Q C01N 1.414(8) . ?
C00R H00R 0.9500 . ?
C00R C010 1.404(9) . ?
C00S C01A 1.390(11) . ?
C00S C01G 1.389(10) . ?
C00T C00Z 1.375(9) . ?
C00T C01H 1.494(8) . ?
C00U H00U 0.9500 . ?
C00U C018 1.385(9) . ?
C00U C01C 1.378(10) . ?
C00V H00V 0.9500 . ?
C00V C016 1.389(9) . ?
C00V C01W 1.389(9) . ?
C00W C01B 1.428(8) . ?
C00X H00X 0.9500 . ?
C00X C015 1.380(10) . ?
C00X C01D 1.394(9) . ?
C00Y C011 1.378(8) . ?
C00Y C019 1.387(9) . ?
C00Z H00Z 0.9500 . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C014 1.382(10) . ?
C012 C01E 1.369(9) . ?
C012 C024 1.382(10) . ?
C013 C021 1.396(11) . ?
C014 H014 0.9500 . ?
C014 C01I 1.394(11) . ?
C015 H015 0.9500 . ?
C015 C02B 1.379(12) . ?
C016 C01O 1.378(9) . ?
F017 C030 1.313(12) . ?
C018 C01R 1.408(9) . ?
C019 H019 0.9500 . ?
C019 C01U 1.404(9) . ?
C01A H01A 0.9500 . ?
C01A C028 1.384(10) . ?
C01B H01B 0.9500 . ?
C01B C01J 1.354(9) . ?
C01C H01C 0.9500 . ?
C01C C02G 1.382(12) . ?
C01D C01Z 1.398(9) . ?
C01E H01E 0.9500 . ?
C01E C025 1.376(12) . ?
C01F C01S 1.398(9) . ?
C01F C01V 1.386(10) . ?
C01G H01G 0.9500 . ?
C01G C02C 1.390(11) . ?
C01H C022 1.386(11) . ?
C01H C027 1.400(11) . ?
C01I H01I 0.9500 . ?
C01I C01U 1.363(10) . ?
C01J H01J 0.9500 . ?
C01J C01Y 1.421(11) . ?
C01K C01X 1.378(12) . ?
C01K C020 1.419(10) . ?
C01N H01N 0.9500 . ?
C01N C01Y 1.372(11) . ?
C01O H01O 0.9500 . ?
C01O C01T 1.393(10) . ?
C01P H01P 0.9500 . ?
C01P C02K 1.374(14) . ?
C01R H01R 0.9500 . ?
C01R C02A 1.378(12) . ?
C01S H01S 0.9500 . ?
C01S C02J 1.404(9) . ?
C01T H01T 0.9500 . ?
C01T C026 1.371(12) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C02Q 1.387(9) . ?
C01W H01W 0.9500 . ?
C01W C026 1.382(11) . ?
C01X H01X 0.9500 . ?
C01X C02V 1.395(11) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C01Z C02M 1.407(11) . ?
C020 H020 0.9500 . ?
C020 C02S 1.380(11) . ?
C021 H021 0.9500 . ?
C021 C02U 1.393(12) . ?
C022 H022 0.9500 . ?
C022 C02L 1.416(11) . ?
F023 C030 1.350(13) . ?
C024 H024 0.9500 . ?
C024 C02O 1.385(11) . ?
C025 H025 0.9500 . ?
C025 C02E 1.392(13) . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02X 1.389(10) . ?
C028 H028 0.9500 . ?
C028 C02R 1.381(13) . ?
C02A H02A 0.9500 . ?
C02A C02G 1.374(13) . ?
C02B H02B 0.9500 . ?
C02B C02M 1.361(13) . ?
C02C H02C 0.9500 . ?
C02C C02R 1.368(14) . ?
C02D H02D 0.9500 . ?
C02D C031 1.394(11) . ?
C02E H02E 0.9500 . ?
C02E C02O 1.380(13) . ?
F02F C030 1.292(14) . ?
C02G H02G 0.9500 . ?
C02H H02H 0.9500 . ?
C02H C02S 1.388(15) . ?
C02H C02V 1.377(15) . ?
C02I H02I 0.9500 . ?
C02I C02J 1.376(13) . ?
C02I C02Q 1.376(12) . ?
C02J H02J 0.9500 . ?
C02K H02K 0.9500 . ?
C02K C02U 1.367(15) . ?
C02L H02L 0.9500 . ?
C02L C02P 1.364(15) . ?
C02M H02M 0.9500 . ?
C02N H02N 0.9500 . ?
C02N C02Y 1.402(11) . ?
C02O H02O 0.9500 . ?
C02P H02P 0.9500 . ?
C02P C02X 1.378(16) . ?
C02Q H02Q 0.9500 . ?
C02R H02R 0.9500 . ?
C02S H02S 0.9500 . ?
C02T H02T 0.9500 . ?
C02T C02Y 1.355(14) . ?
C02T C031 1.372(14) . ?
C02U H02U 0.9500 . ?
C02V H02V 0.9500 . ?
C02X H02X 0.9500 . ?
C02Y H02Y 0.9500 . ?
C031 H031 0.9500 . ?
F9 C6 1.337(15) . ?
F16 C6 1.310(15) . ?
F23 C6 1.327(16) . ?
S1 O6 1.483(12) . ?
S1 O8 1.397(11) . ?
S1 N9 1.623(11) . ?
S1 C10 1.816(19) . ?
F3 C10 1.199(16) . ?
F4 C10 1.21(2) . ?
F5 C10 1.70(5) . ?

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 Au02 136.428(14) . 2_655 ?
Au02 Au01 Au03 64.233(6) 2_655 . ?
Au02 Au01 Au03 64.235(6) . 2_655 ?
Au02 Au01 Au03 92.903(8) 2_655 2_655 ?
Au02 Au01 Au03 92.902(8) . . ?
Au03 Au01 Au03 117.682(11) . 2_655 ?
C00D Au01 Au02 51.94(12) . . ?
C00D Au01 Au02 51.94(12) 2_655 2_655 ?
C00D Au01 Au02 131.87(13) 2_655 . ?
C00D Au01 Au02 131.87(13) . 2_655 ?
C00D Au01 Au03 68.30(13) . . ?
C00D Au01 Au03 116.17(12) . 2_655 ?
C00D Au01 Au03 116.17(12) 2_655 . ?
C00D Au01 Au03 68.29(13) 2_655 2_655 ?
C00D Au01 C00D 172.1(3) . 2_655 ?
Au01 Au02 Au03 63.804(6) . 2_655 ?
Au01 Au02 Au05 87.706(8) . . ?
Au01 Au02 Au06 129.503(10) . . ?
Au05 Au02 Au03 112.725(8) . 2_655 ?
Au06 Au02 Au03 95.852(8) . 2_655 ?
Au06 Au02 Au05 141.271(9) . . ?
C00D Au02 Au01 50.76(12) . . ?
C00D Au02 Au03 114.56(12) . 2_655 ?
C00D Au02 Au05 67.15(13) . . ?
C00D Au02 Au06 124.66(13) . . ?
C00G Au02 Au01 132.74(13) . . ?
C00G Au02 Au03 69.01(13) . 2_655 ?
C00G Au02 Au05 113.37(15) . . ?
C00G Au02 Au06 52.35(15) . . ?
C00G Au02 C00D 176.10(19) . . ?
Au01 Au03 Au02 51.965(5) . 2_655 ?
Au04 Au03 Au01 113.210(9) 2_655 . ?
Au04 Au03 Au02 83.616(8) 2_655 2_655 ?
Au04 Au03 Au05 153.130(10) 2_655 . ?
Au05 Au03 Au01 86.323(7) . . ?
Au05 Au03 Au02 123.225(9) . 2_655 ?
C00E Au03 Au01 66.25(13) . . ?
C00E Au03 Au02 118.00(13) . 2_655 ?
C00E Au03 Au04 119.87(13) . 2_655 ?
C00E Au03 Au05 49.66(13) . . ?
C00H Au03 Au01 117.26(13) 2_655 . ?
C00H Au03 Au02 65.38(13) 2_655 2_655 ?
C00H Au03 Au04 51.30(15) 2_655 2_655 ?
C00H Au03 Au05 136.81(15) 2_655 . ?
C00H Au03 C00E 171.0(2) 2_655 . ?
Au03 Au04 Au06 96.002(8) 2_655 . ?
P009 Au04 Au03 132.02(4) . 2_655 ?
P009 Au04 Au06 108.73(4) . . ?
C00H Au04 Au03 50.77(14) . 2_655 ?
C00H Au04 Au06 70.56(14) . . ?
C00H Au04 P009 177.15(14) . . ?
Au03 Au05 Au02 92.929(8) . . ?
P007 Au05 Au02 109.97(4) . . ?
P007 Au05 Au03 142.58(4) . . ?
C00E Au05 Au02 68.38(13) . . ?
C00E Au05 Au03 51.12(13) . . ?
C00E Au05 P007 165.23(13) . . ?
Au02 Au06 Au04 84.106(8) . . ?
P008 Au06 Au02 133.76(4) . . ?
P008 Au06 Au04 129.49(4) . . ?
C00G Au06 Au02 50.23(13) . . ?
C00G Au06 Au04 65.14(13) . . ?
C00G Au06 P008 161.59(14) . . ?
C00P P007 Au05 113.0(2) . . ?
C00Y P007 Au05 109.7(2) . . ?
C00Y P007 C00P 105.0(3) . . ?
C01D P007 Au05 112.8(2) . . ?
C01D P007 C00P 106.9(3) . . ?
C01D P007 C00Y 109.2(3) . . ?
C00S P008 Au06 112.6(2) . . ?
C00S P008 C012 106.8(3) . . ?
C00S P008 C016 106.3(3) . . ?
C012 P008 Au06 118.1(2) . . ?
C012 P008 C016 105.7(3) . . ?
C016 P008 Au06 106.5(2) . . ?
C013 P009 Au04 112.7(2) . . ?
C018 P009 Au04 111.1(2) . . ?
C018 P009 C013 108.9(3) . . ?
C018 P009 C01K 105.3(3) . . ?
C01K P009 Au04 113.4(3) . . ?
C01K P009 C013 105.0(3) . . ?
O01M S00A O029 118.8(5) . . ?
O01M S00A C030 104.8(5) . . ?
O01M S00A N14 118.6(5) . . ?
O029 S00A C030 101.6(6) . . ?
O029 S00A N14 107.7(7) . . ?
N14 S00A C030 102.3(6) . . ?
O02Z S00B N14 117.7(6) . . ?
O02Z S00B O11 113.3(8) . . ?
O02Z S00B C6 105.0(8) . . ?
N14 S00B C6 100.8(8) . . ?
O11 S00B N14 114.0(7) . . ?
O11 S00B C6 103.5(8) . . ?
Au01 C00D Au02 77.29(15) . . ?
C00E C00D Au01 111.3(3) . . ?
C00E C00D Au02 111.5(3) . . ?
C00E C00D C00F 119.2(4) . . ?
C00F C00D Au01 115.8(3) . . ?
C00F C00D Au02 114.4(3) . . ?
Au05 C00E Au03 79.22(16) . . ?
C00D C00E Au03 113.8(3) . . ?
C00D C00E Au05 113.0(3) . . ?
C00D C00E C00K 119.1(4) . . ?
C00K C00E Au03 110.4(3) . . ?
C00K C00E Au05 114.6(4) . . ?
C00I C00F C00D 120.9(5) . . ?
C00L C00F C00D 120.6(5) . . ?
C00L C00F C00I 118.4(5) . . ?
Au02 C00G Au06 77.42(19) . . ?
C00H C00G Au02 109.7(3) . . ?
C00H C00G Au06 116.9(4) . . ?
C00Z C00G Au02 122.6(4) . . ?
C00Z C00G Au06 103.7(4) . . ?
C00Z C00G C00H 119.0(5) . . ?
Au03 C00H Au04 77.93(18) 2_655 . ?
C00G C00H Au03 115.9(3) . 2_655 ?
C00G C00H Au04 107.3(4) . . ?
C00G C00H C00W 118.2(5) . . ?
C00W C00H Au03 114.9(4) . 2_655 ?
C00W C00H Au04 115.7(4) . . ?
C00F C00I C00M 118.6(4) . . ?
C00O C00I C00F 118.3(5) . . ?
C00O C00I C00M 123.2(5) . . ?
C00E C00K H00K 118.8 . . ?
C00M C00K C00E 122.3(5) . . ?
C00M C00K H00K 118.8 . . ?
C00F C00L H00L 119.1 . . ?
C00R C00L C00F 121.8(5) . . ?
C00R C00L H00L 119.1 . . ?
C00I C00M C01F 121.0(5) . . ?
C00K C00M C00I 119.8(4) . . ?
C00K C00M C01F 119.1(5) . . ?
C013 C00N H00N 120.2 . . ?
C013 C00N C01P 119.7(8) . . ?
C01P C00N H00N 120.2 . . ?
C00I C00O H00O 119.2 . . ?
C010 C00O C00I 121.6(5) . . ?
C010 C00O H00O 119.2 . . ?
C02D C00P P007 121.9(5) . . ?
C02D C00P C02N 119.3(7) . . ?
C02N C00P P007 118.7(6) . . ?
C00W C00Q C00T 119.3(5) . . ?
C01N C00Q C00T 122.0(6) . . ?
C01N C00Q C00W 118.8(6) . . ?
C00L C00R H00R 120.3 . . ?
C00L C00R C010 119.5(5) . . ?
C010 C00R H00R 120.3 . . ?
C01A C00S P008 117.9(5) . . ?
C01G C00S P008 122.7(6) . . ?
C01G C00S C01A 119.4(7) . . ?
C00Q C00T C01H 122.7(6) . . ?
C00Z C00T C00Q 119.5(5) . . ?
C00Z C00T C01H 117.8(6) . . ?
C018 C00U H00U 119.3 . . ?
C01C C00U H00U 119.3 . . ?
C01C C00U C018 121.5(7) . . ?
C016 C00V H00V 119.9 . . ?
C016 C00V C01W 120.1(7) . . ?
C01W C00V H00V 119.9 . . ?
C00Q C00W C00H 120.8(5) . . ?
C00Q C00W C01B 118.7(5) . . ?
C01B C00W C00H 120.4(5) . . ?
C015 C00X H00X 119.5 . . ?
C015 C00X C01D 121.0(7) . . ?
C01D C00X H00X 119.5 . . ?
C011 C00Y P007 122.1(5) . . ?
C011 C00Y C019 118.5(6) . . ?
C019 C00Y P007 119.3(5) . . ?
C00G C00Z H00Z 118.5 . . ?
C00T C00Z C00G 123.0(5) . . ?
C00T C00Z H00Z 118.5 . . ?
C00O C010 C00R 120.4(5) . . ?
C00O C010 H010 119.8 . . ?
C00R C010 H010 119.8 . . ?
C00Y C011 H011 119.6 . . ?
C00Y C011 C014 120.9(7) . . ?
C014 C011 H011 119.6 . . ?
C01E C012 P008 117.5(6) . . ?
C01E C012 C024 120.8(7) . . ?
C024 C012 P008 121.7(5) . . ?
C00N C013 P009 116.9(6) . . ?
C00N C013 C021 120.4(7) . . ?
C021 C013 P009 122.7(6) . . ?
C011 C014 H014 119.8 . . ?
C011 C014 C01I 120.3(6) . . ?
C01I C014 H014 119.8 . . ?
C00X C015 H015 119.9 . . ?
C02B C015 C00X 120.3(8) . . ?
C02B C015 H015 119.9 . . ?
C00V C016 P008 117.8(5) . . ?
C01O C016 P008 122.3(5) . . ?
C01O C016 C00V 119.8(6) . . ?
C00U C018 P009 120.0(5) . . ?
C00U C018 C01R 118.3(6) . . ?
C01R C018 P009 121.6(5) . . ?
C00Y C019 H019 119.6 . . ?
C00Y C019 C01U 120.9(6) . . ?
C01U C019 H019 119.6 . . ?
C00S C01A H01A 119.9 . . ?
C028 C01A C00S 120.2(8) . . ?
C028 C01A H01A 119.9 . . ?
C00W C01B H01B 119.3 . . ?
C01J C01B C00W 121.4(6) . . ?
C01J C01B H01B 119.3 . . ?
C00U C01C H01C 120.5 . . ?
C00U C01C C02G 119.0(8) . . ?
C02G C01C H01C 120.5 . . ?
C00X C01D P007 118.8(5) . . ?
C00X C01D C01Z 118.6(6) . . ?
C01Z C01D P007 122.6(5) . . ?
C012 C01E H01E 120.0 . . ?
C012 C01E C025 120.0(8) . . ?
C025 C01E H01E 120.0 . . ?
C01S C01F C00M 119.0(6) . . ?
C01V C01F C00M 121.1(6) . . ?
C01V C01F C01S 119.7(6) . . ?
C00S C01G H01G 119.9 . . ?
C00S C01G C02C 120.3(9) . . ?
C02C C01G H01G 119.9 . . ?
C022 C01H C00T 121.4(7) . . ?
C022 C01H C027 119.4(7) . . ?
C027 C01H C00T 119.2(7) . . ?
C014 C01I H01I 120.2 . . ?
C01U C01I C014 119.6(7) . . ?
C01U C01I H01I 120.2 . . ?
C01B C01J H01J 120.3 . . ?
C01B C01J C01Y 119.5(7) . . ?
C01Y C01J H01J 120.3 . . ?
C01X C01K P009 118.5(6) . . ?
C01X C01K C020 121.2(7) . . ?
C020 C01K P009 120.3(6) . . ?
C00Q C01N H01N 119.7 . . ?
C01Y C01N C00Q 120.6(6) . . ?
C01Y C01N H01N 119.7 . . ?
C016 C01O H01O 120.1 . . ?
C016 C01O C01T 119.9(7) . . ?
C01T C01O H01O 120.1 . . ?
C00N C01P H01P 120.0 . . ?
C02K C01P C00N 120.1(8) . . ?
C02K C01P H01P 120.0 . . ?
C018 C01R H01R 119.9 . . ?
C02A C01R C018 120.2(7) . . ?
C02A C01R H01R 119.9 . . ?
C01F C01S H01S 120.4 . . ?
C01F C01S C02J 119.1(7) . . ?
C02J C01S H01S 120.4 . . ?
C01O C01T H01T 119.9 . . ?
C026 C01T C01O 120.2(7) . . ?
C026 C01T H01T 119.9 . . ?
C019 C01U H01U 120.1 . . ?
C01I C01U C019 119.8(7) . . ?
C01I C01U H01U 120.1 . . ?
C01F C01V H01V 119.5 . . ?
C01F C01V C02Q 121.0(7) . . ?
C02Q C01V H01V 119.5 . . ?
C00V C01W H01W 120.2 . . ?
C026 C01W C00V 119.6(7) . . ?
C026 C01W H01W 120.2 . . ?
C01K C01X H01X 120.6 . . ?
C01K C01X C02V 118.8(9) . . ?
C02V C01X H01X 120.6 . . ?
C01J C01Y H01Y 119.6 . . ?
C01N C01Y C01J 120.8(6) . . ?
C01N C01Y H01Y 119.6 . . ?
C01D C01Z H01Z 120.5 . . ?
C01D C01Z C02M 119.1(7) . . ?
C02M C01Z H01Z 120.5 . . ?
C01K C020 H020 120.8 . . ?
C02S C020 C01K 118.5(9) . . ?
C02S C020 H020 120.8 . . ?
C013 C021 H021 120.5 . . ?
C02U C021 C013 119.1(9) . . ?
C02U C021 H021 120.5 . . ?
C01H C022 H022 120.3 . . ?
C01H C022 C02L 119.4(10) . . ?
C02L C022 H022 120.3 . . ?
C012 C024 H024 120.4 . . ?
C012 C024 C02O 119.2(7) . . ?
C02O C024 H024 120.4 . . ?
C01E C025 H025 119.9 . . ?
C01E C025 C02E 120.2(8) . . ?
C02E C025 H025 119.9 . . ?
C01T C026 C01W 120.4(6) . . ?
C01T C026 H026 119.8 . . ?
C01W C026 H026 119.8 . . ?
C01H C027 H027 119.7 . . ?
C02X C027 C01H 120.6(9) . . ?
C02X C027 H027 119.7 . . ?
C01A C028 H028 120.3 . . ?
C02R C028 C01A 119.5(9) . . ?
C02R C028 H028 120.3 . . ?
C01R C02A H02A 120.1 . . ?
C02G C02A C01R 119.8(8) . . ?
C02G C02A H02A 120.1 . . ?
C015 C02B H02B 120.1 . . ?
C02M C02B C015 119.8(8) . . ?
C02M C02B H02B 120.1 . . ?
C01G C02C H02C 120.3 . . ?
C02R C02C C01G 119.5(8) . . ?
C02R C02C H02C 120.3 . . ?
C00P C02D H02D 120.1 . . ?
C00P C02D C031 119.7(8) . . ?
C031 C02D H02D 120.1 . . ?
C025 C02E H02E 120.4 . . ?
C02O C02E C025 119.3(8) . . ?
C02O C02E H02E 120.4 . . ?
C01C C02G H02G 119.4 . . ?
C02A C02G C01C 121.1(8) . . ?
C02A C02G H02G 119.4 . . ?
C02S C02H H02H 119.8 . . ?
C02V C02H H02H 119.8 . . ?
C02V C02H C02S 120.5(8) . . ?
C02J C02I H02I 119.1 . . ?
C02Q C02I H02I 119.1 . . ?
C02Q C02I C02J 121.9(7) . . ?
C01S C02J H02J 120.3 . . ?
C02I C02J C01S 119.5(7) . . ?
C02I C02J H02J 120.3 . . ?
C01P C02K H02K 119.7 . . ?
C02U C02K C01P 120.6(8) . . ?
C02U C02K H02K 119.7 . . ?
C022 C02L H02L 120.0 . . ?
C02P C02L C022 119.9(10) . . ?
C02P C02L H02L 120.0 . . ?
C01Z C02M H02M 119.4 . . ?
C02B C02M C01Z 121.2(8) . . ?
C02B C02M H02M 119.4 . . ?
C00P C02N H02N 120.1 . . ?
C00P C02N C02Y 119.8(8) . . ?
C02Y C02N H02N 120.1 . . ?
C024 C02O H02O 119.7 . . ?
C02E C02O C024 120.5(8) . . ?
C02E C02O H02O 119.7 . . ?
C02L C02P H02P 119.4 . . ?
C02L C02P C02X 121.3(8) . . ?
C02X C02P H02P 119.4 . . ?
C01V C02Q H02Q 120.7 . . ?
C02I C02Q C01V 118.7(8) . . ?
C02I C02Q H02Q 120.7 . . ?
C028 C02R H02R 119.4 . . ?
C02C C02R C028 121.2(7) . . ?
C02C C02R H02R 119.4 . . ?
C020 C02S C02H 120.4(9) . . ?
C020 C02S H02S 119.8 . . ?
C02H C02S H02S 119.8 . . ?
C02Y C02T H02T 120.4 . . ?
C02Y C02T C031 119.2(8) . . ?
C031 C02T H02T 120.4 . . ?
C021 C02U H02U 119.9 . . ?
C02K C02U C021 120.1(10) . . ?
C02K C02U H02U 119.9 . . ?
C01X C02V H02V 119.7 . . ?
C02H C02V C01X 120.6(10) . . ?
C02H C02V H02V 119.7 . . ?
C027 C02X H02X 120.3 . . ?
C02P C02X C027 119.4(10) . . ?
C02P C02X H02X 120.3 . . ?
C02N C02Y H02Y 119.6 . . ?
C02T C02Y C02N 120.8(9) . . ?
C02T C02Y H02Y 119.6 . . ?
F017 C030 S00A 112.9(8) . . ?
F017 C030 F023 107.1(10) . . ?
F023 C030 S00A 108.7(8) . . ?
F02F C030 S00A 110.5(9) . . ?
F02F C030 F017 108.4(10) . . ?
F02F C030 F023 109.1(10) . . ?
C02D C031 H031 119.4 . . ?
C02T C031 C02D 121.2(9) . . ?
C02T C031 H031 119.4 . . ?
S00A N14 S00B 127.2(7) . . ?
F9 C6 S00B 106.3(11) . . ?
F16 C6 S00B 109.3(13) . . ?
F16 C6 F9 113.8(17) . . ?
F16 C6 F23 105.3(18) . . ?
F23 C6 S00B 109.8(12) . . ?
F23 C6 F9 112.4(18) . . ?
O6 S1 N9 109.5(8) . . ?
O6 S1 C10 105.2(10) . . ?
O8 S1 O6 119.9(10) . . ?
O8 S1 N9 122.3(10) . . ?
O8 S1 C10 107.8(11) . . ?
N9 S1 C10 84.6(15) . . ?
S1 N9 S1 116.2(13) 2_655 . ?
F3 C10 S1 121.1(12) . . ?
F3 C10 F4 120(2) . . ?
F3 C10 F5 94(2) . . ?
F4 C10 S1 116.7(11) . . ?
F4 C10 F5 97(2) . . ?
F5 C10 S1 94(2) . . ?

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 C00D C00E Au03 -5.8(4) . . . . ?
Au01 C00D C00E Au05 82.2(3) . . . . ?
Au01 C00D C00E C00K -138.8(4) . . . . ?
Au01 C00D C00F C00I 138.1(4) . . . . ?
Au01 C00D C00F C00L -40.5(6) . . . . ?
Au02 C00D C00E Au03 -90.1(3) . . . . ?
Au02 C00D C00E Au05 -2.1(4) . . . . ?
Au02 C00D C00E C00K 136.9(4) . . . . ?
Au02 C00D C00F C00I -134.7(4) . . . . ?
Au02 C00D C00F C00L 46.7(6) . . . . ?
Au02 C00G C00H Au03 -2.0(5) . . . 2_655 ?
Au02 C00G C00H Au04 82.7(3) . . . . ?
Au02 C00G C00H C00W -144.2(4) . . . . ?
Au02 C00G C00Z C00T 144.3(5) . . . . ?
Au03 C00E C00K C00M -134.6(5) . . . . ?
Au03 C00H C00W C00Q -147.7(5) 2_655 . . . ?
Au03 C00H C00W C01B 32.8(7) 2_655 . . . ?
Au04 P009 C013 C00N 31.4(5) . . . . ?
Au04 P009 C013 C021 -151.6(6) . . . . ?
Au04 P009 C018 C00U 12.1(6) . . . . ?
Au04 P009 C018 C01R -167.7(5) . . . . ?
Au04 P009 C01K C01X 34.6(7) . . . . ?
Au04 P009 C01K C020 -148.4(5) . . . . ?
Au04 C00H C00W C00Q 124.2(5) . . . . ?
Au04 C00H C00W C01B -55.3(7) . . . . ?
Au05 P007 C00P C02D 96.7(7) . . . . ?
Au05 P007 C00P C02N -78.9(6) . . . . ?
Au05 P007 C00Y C011 177.0(5) . . . . ?
Au05 P007 C00Y C019 -3.9(5) . . . . ?
Au05 P007 C01D C00X 14.6(6) . . . . ?
Au05 P007 C01D C01Z -164.4(6) . . . . ?
Au05 C00E C00K C00M 138.2(5) . . . . ?
Au06 P008 C00S C01A -41.7(6) . . . . ?
Au06 P008 C00S C01G 137.5(5) . . . . ?
Au06 P008 C012 C01E -40.8(6) . . . . ?
Au06 P008 C012 C024 140.7(5) . . . . ?
Au06 P008 C016 C00V -54.2(6) . . . . ?
Au06 P008 C016 C01O 123.7(5) . . . . ?
Au06 C00G C00H Au03 -87.5(4) . . . 2_655 ?
Au06 C00G C00H Au04 -2.8(4) . . . . ?
Au06 C00G C00H C00W 130.2(5) . . . . ?
Au06 C00G C00Z C00T -132.0(6) . . . . ?
P007 C00P C02D C031 -176.8(8) . . . . ?
P007 C00P C02N C02Y 175.9(7) . . . . ?
P007 C00Y C011 C014 179.5(5) . . . . ?
P007 C00Y C019 C01U -179.0(5) . . . . ?
P007 C01D C01Z C02M 177.2(7) . . . . ?
P008 C00S C01A C028 -179.7(6) . . . . ?
P008 C00S C01G C02C -179.8(5) . . . . ?
P008 C012 C01E C025 -178.9(6) . . . . ?
P008 C012 C024 C02O 179.2(6) . . . . ?
P008 C016 C01O C01T -177.5(5) . . . . ?
P009 C013 C021 C02U -173.5(7) . . . . ?
P009 C018 C01R C02A -178.4(6) . . . . ?
P009 C01K C01X C02V 177.8(7) . . . . ?
P009 C01K C020 C02S -176.2(7) . . . . ?
C00D C00E C00K C00M -0.1(8) . . . . ?
C00D C00F C00I C00M -1.8(7) . . . . ?
C00D C00F C00I C00O 178.6(5) . . . . ?
C00D C00F C00L C00R 179.3(5) . . . . ?
C00E C00D C00F C00I 0.9(7) . . . . ?
C00E C00D C00F C00L -177.7(5) . . . . ?
C00E C00K C00M C00I -0.8(8) . . . . ?
C00E C00K C00M C01F 175.9(5) . . . . ?
C00F C00D C00E Au03 133.1(4) . . . . ?
C00F C00D C00E Au05 -138.9(4) . . . . ?
C00F C00D C00E C00K 0.1(7) . . . . ?
C00F C00I C00M C00K 1.7(8) . . . . ?
C00F C00I C00M C01F -174.9(5) . . . . ?
C00F C00I C00O C010 2.2(9) . . . . ?
C00F C00L C00R C010 2.1(10) . . . . ?
C00G C00H C00W C00Q -5.0(8) . . . . ?
C00G C00H C00W C01B 175.5(6) . . . . ?
C00H C00G C00Z C00T 0.0(9) . . . . ?
C00H C00W C01B C01J -179.1(7) . . . . ?
C00I C00F C00L C00R 0.7(8) . . . . ?
C00I C00M C01F C01S -132.4(6) . . . . ?
C00I C00M C01F C01V 51.9(8) . . . . ?
C00I C00O C010 C00R 0.6(10) . . . . ?
C00K C00M C01F C01S 50.9(8) . . . . ?
C00K C00M C01F C01V -124.8(7) . . . . ?
C00L C00F C00I C00M 176.8(5) . . . . ?
C00L C00F C00I C00O -2.8(8) . . . . ?
C00L C00R C010 C00O -2.8(10) . . . . ?
C00M C00I C00O C010 -177.3(6) . . . . ?
C00M C01F C01S C02J -179.0(6) . . . . ?
C00M C01F C01V C02Q 178.6(6) . . . . ?
C00N C013 C021 C02U 3.4(13) . . . . ?
C00N C01P C02K C02U 1.4(13) . . . . ?
C00O C00I C00M C00K -178.7(6) . . . . ?
C00O C00I C00M C01F 4.7(8) . . . . ?
C00P P007 C00Y C011 55.4(6) . . . . ?
C00P P007 C00Y C019 -125.5(5) . . . . ?
C00P P007 C01D C00X 139.3(5) . . . . ?
C00P P007 C01D C01Z -39.6(7) . . . . ?
C00P C02D C031 C02T 1.1(16) . . . . ?
C00P C02N C02Y C02T 1.1(14) . . . . ?
C00Q C00T C00Z C00G -3.8(10) . . . . ?
C00Q C00T C01H C022 -55.6(9) . . . . ?
C00Q C00T C01H C027 125.9(7) . . . . ?
C00Q C00W C01B C01J 1.4(10) . . . . ?
C00Q C01N C01Y C01J 1.9(12) . . . . ?
C00S P008 C012 C01E 87.3(6) . . . . ?
C00S P008 C012 C024 -91.3(6) . . . . ?
C00S P008 C016 C00V -174.5(5) . . . . ?
C00S P008 C016 C01O 3.5(7) . . . . ?
C00S C01A C028 C02R -0.4(12) . . . . ?
C00S C01G C02C C02R -0.4(11) . . . . ?
C00T C00Q C00W C00H 1.4(9) . . . . ?
C00T C00Q C00W C01B -179.1(6) . . . . ?
C00T C00Q C01N C01Y 177.5(7) . . . . ?
C00T C01H C022 C02L -178.2(6) . . . . ?
C00T C01H C027 C02X 177.4(7) . . . . ?
C00U C018 C01R C02A 1.8(11) . . . . ?
C00U C01C C02G C02A 1.8(13) . . . . ?
C00V C016 C01O C01T 0.4(10) . . . . ?
C00V C01W C026 C01T 0.8(11) . . . . ?
C00W C00Q C00T C00Z 3.0(9) . . . . ?
C00W C00Q C00T C01H -178.5(6) . . . . ?
C00W C00Q C01N C01Y -3.6(11) . . . . ?
C00W C01B C01J C01Y -3.1(12) . . . . ?
C00X C015 C02B C02M 0.8(14) . . . . ?
C00X C01D C01Z C02M -1.8(12) . . . . ?
C00Y P007 C00P C02D -143.8(7) . . . . ?
C00Y P007 C00P C02N 40.6(6) . . . . ?
C00Y P007 C01D C00X -107.6(6) . . . . ?
C00Y P007 C01D C01Z 73.4(7) . . . . ?
C00Y C011 C014 C01I -0.7(11) . . . . ?
C00Y C019 C01U C01I -0.4(11) . . . . ?
C00Z C00G C00H Au03 146.6(4) . . . 2_655 ?
C00Z C00G C00H Au04 -128.7(5) . . . . ?
C00Z C00G C00H C00W 4.3(8) . . . . ?
C00Z C00T C01H C022 122.9(7) . . . . ?
C00Z C00T C01H C027 -55.6(8) . . . . ?
C011 C00Y C019 C01U 0.1(10) . . . . ?
C011 C014 C01I C01U 0.5(11) . . . . ?
C012 P008 C00S C01A -173.0(5) . . . . ?
C012 P008 C00S C01G 6.3(6) . . . . ?
C012 P008 C016 C00V 72.3(6) . . . . ?
C012 P008 C016 C01O -109.8(6) . . . . ?
C012 C01E C025 C02E -0.1(13) . . . . ?
C012 C024 C02O C02E -0.6(13) . . . . ?
C013 P009 C018 C00U -112.6(6) . . . . ?
C013 P009 C018 C01R 67.6(6) . . . . ?
C013 P009 C01K C01X 158.1(6) . . . . ?
C013 P009 C01K C020 -24.9(7) . . . . ?
C013 C00N C01P C02K -0.4(11) . . . . ?
C013 C021 C02U C02K -2.5(15) . . . . ?
C014 C01I C01U C019 0.1(11) . . . . ?
C015 C00X C01D P007 -177.7(6) . . . . ?
C015 C00X C01D C01Z 1.3(11) . . . . ?
C015 C02B C02M C01Z -1.3(16) . . . . ?
C016 P008 C00S C01A 74.6(6) . . . . ?
C016 P008 C00S C01G -106.2(6) . . . . ?
C016 P008 C012 C01E -159.8(5) . . . . ?
C016 P008 C012 C024 21.6(7) . . . . ?
C016 C00V C01W C026 -1.2(11) . . . . ?
C016 C01O C01T C026 -0.7(11) . . . . ?
C018 P009 C013 C00N 155.1(5) . . . . ?
C018 P009 C013 C021 -27.9(7) . . . . ?
C018 P009 C01K C01X -87.0(7) . . . . ?
C018 P009 C01K C020 90.0(6) . . . . ?
C018 C00U C01C C02G -0.9(12) . . . . ?
C018 C01R C02A C02G -1.0(13) . . . . ?
C019 C00Y C011 C014 0.4(10) . . . . ?
C01A C00S C01G C02C -0.6(10) . . . . ?
C01A C028 C02R C02C -0.6(12) . . . . ?
C01B C01J C01Y C01N 1.4(13) . . . . ?
C01C C00U C018 P009 179.4(6) . . . . ?
C01C C00U C018 C01R -0.8(10) . . . . ?
C01D P007 C00P C02D -28.0(7) . . . . ?
C01D P007 C00P C02N 156.4(6) . . . . ?
C01D P007 C00Y C011 -58.9(6) . . . . ?
C01D P007 C00Y C019 120.2(5) . . . . ?
C01D C00X C015 C02B -0.9(12) . . . . ?
C01D C01Z C02M C02B 1.8(15) . . . . ?
C01E C012 C024 C02O 0.7(12) . . . . ?
C01E C025 C02E C02O 0.2(14) . . . . ?
C01F C01S C02J C02I 1.0(10) . . . . ?
C01F C01V C02Q C02I -0.3(11) . . . . ?
C01G C00S C01A C028 1.0(11) . . . . ?
C01G C02C C02R C028 1.0(12) . . . . ?
C01H C00T C00Z C00G 177.7(6) . . . . ?
C01H C022 C02L C02P 0.5(11) . . . . ?
C01H C027 C02X C02P 1.3(13) . . . . ?
C01K P009 C013 C00N -92.5(5) . . . . ?
C01K P009 C013 C021 84.5(7) . . . . ?
C01K P009 C018 C00U 135.2(6) . . . . ?
C01K P009 C018 C01R -44.6(7) . . . . ?
C01K C01X C02V C02H -1.0(15) . . . . ?
C01K C020 C02S C02H -2.2(14) . . . . ?
O01M S00A C030 F017 -177.8(9) . . . . ?
O01M S00A C030 F023 63.5(10) . . . . ?
O01M S00A C030 F02F -56.3(10) . . . . ?
O01M S00A N14 S00B -5.6(14) . . . . ?
C01N C00Q C00T C00Z -178.1(7) . . . . ?
C01N C00Q C00T C01H 0.4(10) . . . . ?
C01N C00Q C00W C00H -177.6(6) . . . . ?
C01N C00Q C00W C01B 1.9(9) . . . . ?
C01O C01T C026 C01W 0.1(12) . . . . ?
C01P C00N C013 P009 175.1(5) . . . . ?
C01P C00N C013 C021 -2.0(10) . . . . ?
C01P C02K C02U C021 0.2(15) . . . . ?
C01R C02A C02G C01C -0.8(14) . . . . ?
C01S C01F C01V C02Q 2.9(10) . . . . ?
C01V C01F C01S C02J -3.2(9) . . . . ?
C01W C00V C016 P008 178.6(5) . . . . ?
C01W C00V C016 C01O 0.6(10) . . . . ?
C01X C01K C020 C02S 0.8(12) . . . . ?
C020 C01K C01X C02V 0.8(13) . . . . ?
C022 C01H C027 C02X -1.1(11) . . . . ?
C022 C02L C02P C02X -0.4(13) . . . . ?
C024 C012 C01E C025 -0.4(11) . . . . ?
C025 C02E C02O C024 0.1(14) . . . . ?
C027 C01H C022 C02L 0.3(10) . . . . ?
O029 S00A C030 F017 -53.5(11) . . . . ?
O029 S00A C030 F023 -172.2(9) . . . . ?
O029 S00A C030 F02F 68.0(10) . . . . ?
O029 S00A N14 S00B -144.3(10) . . . . ?
C02D C00P C02N C02Y 0.1(12) . . . . ?
C02J C02I C02Q C01V -1.9(12) . . . . ?
C02L C02P C02X C027 -0.5(14) . . . . ?
C02N C00P C02D C031 -1.2(13) . . . . ?
C02Q C02I C02J C01S 1.6(12) . . . . ?
C02S C02H C02V C01X -0.4(16) . . . . ?
C02V C02H C02S C020 2.1(16) . . . . ?
C02Y C02T C031 C02D 0.1(16) . . . . ?
O02Z S00B N14 S00A 2.2(15) . . . . ?
O02Z S00B C6 F9 -60.3(16) . . . . ?
O02Z S00B C6 F16 62.9(16) . . . . ?
O02Z S00B C6 F23 177.9(14) . . . . ?
C030 S00A N14 S00B 109.1(11) . . . . ?
C031 C02T C02Y C02N -1.2(16) . . . . ?
N14 S00A C030 F017 57.7(11) . . . . ?
N14 S00A C030 F023 -60.9(9) . . . . ?
N14 S00A C030 F02F 179.3(9) . . . . ?
N14 S00B C6 F9 176.9(14) . . . . ?
N14 S00B C6 F16 -59.9(16) . . . . ?
N14 S00B C6 F23 55.1(15) . . . . ?
O11 S00B N14 S00A -134.2(11) . . . . ?
O11 S00B C6 F9 58.8(16) . . . . ?
O11 S00B C6 F16 -178.1(15) . . . . ?
O11 S00B C6 F23 -63.0(15) . . . . ?
C6 S00B N14 S00A 115.7(12) . . . . ?
O6 S1 N9 S1 147.1(8) . . . 2_655 ?
O6 S1 C10 F3 33(4) . . . . ?
O6 S1 C10 F4 -163(3) . . . . ?
O6 S1 C10 F5 -63.9(10) . . . . ?
O8 S1 N9 S1 -1.0(10) . . . 2_655 ?
O8 S1 C10 F3 162(3) . . . . ?
O8 S1 C10 F4 -34(4) . . . . ?
O8 S1 C10 F5 65.1(12) . . . . ?
N9 S1 C10 F3 -76(4) . . . . ?
N9 S1 C10 F4 88(4) . . . . ?
N9 S1 C10 F5 -172.6(10) . . . . ?
C10 S1 N9 S1 -108.7(5) . . . 2_655 ?

_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 -0.303 0.000 0.000 849.0 170.0 '4 CH3CH2OCH2CH3'
2 -0.380 0.000 0.500 849.0 170.0 '4 CH3CH2OCH2CH3'
3 -0.278 0.500 0.500 849.0 170.0 '4 CH3CH2OCH2CH3'
4 0.197 0.500 1.000 849.0 170.0 '4 CH3CH2OCH2CH3'

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

# start Validation Reply Form
_vrf_PLAT214_1                   
;
PROBLEM: Atom C10       (Anion/Solvent) ADP max/min Ratio        5.7 prolat
RESPONSE: The atom C10 is part of a disordered trifluoromethanesulfonimide 
anion present in the unit cell.
;
_vrf_PLAT230_1                   
;
PROBLEM: Hirshfeld Test Diff for    F5       --C10      .       16.7 s.u.  
RESPONSE: Due to the highly twinned nature of the crystal, the trifluoromethyl 
group of trifluoromethanesulfonimide anion is highly disordered.
;
_vrf_PLAT241_1                   
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C10 Check 
RESPONSE: The atom C10 is on the periphery of a loosely bound 
trifluoromethanesulfonimide anion and is likely to exhibit high thermal motion.
;
_vrf_PLAT242_1                   
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of         S1 Check 
RESPONSE: This alert is generated because there is a large amount of disorder 
in the structure, in special in the trifluoromethanesulfonimide anion, 
to which this atom is part.
;
_vrf_PLAT971_1                   
;
PROBLEM: Check Calcd Resid. Dens.  0.74Ang From Au06            2.69 eA-3  
RESPONSE: The relatively large residual density is close to heavy gold atom, 
which might be caused by the electronic polarization of the corresponding 
gold atom, or unsuitable absorption correction.
;
# 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_au28
_database_code_depnum_ccdc_archive 'CCDC 2286453'
loop_
_audit_author_name
_audit_author_address
'Qian Liu'
;Tsinghua University
China
;
_audit_update_record             
;
2024-02-06 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_audit_creation_date             2023-05-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C276 H216 Au28 P8'
_chemical_formula_sum            'C276 H216 Au28 P8'
_chemical_formula_weight         9295.30
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H P Au'
_chemical_oxdiff_usercomment     'Colorless Plate Crystals'
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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   47.3293(7)
_cell_length_b                   20.0353(5)
_cell_length_c                   41.2327(6)
_cell_angle_alpha                90
_cell_angle_beta                 114.081(2)
_cell_angle_gamma                90
_cell_volume                     35696.4(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    34889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.5030
_cell_measurement_theta_min      3.6760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.618
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             16816
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            121541
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.559
_diffrn_reflns_theta_min         3.567
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4273
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  32.00   0.60    6.06    --  -40.76  38.00   0.00  165
  2  ω   -110.00 -14.00   0.60    6.06    --  -40.76 -38.00-180.00  160
  3  ω   -114.00 -60.00   0.60    6.06    --  -40.76-151.00   2.00   90
  4  ω    -31.00  13.40   0.60    6.06    --   40.76 -57.00  60.00   74
  5  ω     32.00  89.00   0.60    6.06    --   40.76-125.00  60.00   95
  6  ω     36.00  97.20   0.60    6.06    --   40.76-125.00-150.00  102
  7  ω    105.00 171.60   0.60   24.25    --  111.38  77.00 120.00  111
  8  ω     52.00  79.00   0.60   24.25    --  111.38 -95.00 -90.00   45
  9  ω    103.00 175.60   0.60   24.25    --  111.38  77.00 -30.00  121
 10  ω     46.00 137.20   0.60   24.25    --  111.38 -45.00  30.00  152
 11  ω     44.00 111.80   0.60   24.25    --  111.38-125.00   0.00  113
 12  ω     56.00  83.00   0.60   24.25    --  111.38 -95.00   0.00   45
 13  ω     38.00 138.20   0.60   24.25    --  111.38 -45.00 150.00  167
 14  ω     78.00 105.00   0.60   24.25    --  111.38 -95.00-180.00   45
 15  ω     28.00 105.40   0.60   24.25    --  111.38 -95.00  30.00  129
 16  ω     86.00 174.20   0.60   24.25    --  111.38  45.00  90.00  147
 17  ω    104.00 176.00   0.60   24.25    --  111.38  77.00-180.00  120
 18  ω     55.00 105.40   0.60   24.25    --  111.38 -95.00  90.00   84
 19  ω     86.00 122.00   0.60   24.25    --  111.38  30.00 -90.00   60
 20  ω     81.00 105.60   0.60   24.25    --  111.38 -95.00-150.00   41
 21  ω     62.00  96.80   0.60   24.25    --  111.38 -95.00 150.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0322052000
_diffrn_orient_matrix_UB_12      -0.0330864000
_diffrn_orient_matrix_UB_13      0.0143856000
_diffrn_orient_matrix_UB_21      0.0149668000
_diffrn_orient_matrix_UB_22      0.0684555000
_diffrn_orient_matrix_UB_23      0.0005495000
_diffrn_orient_matrix_UB_31      0.0032797000
_diffrn_orient_matrix_UB_32      0.0112541000
_diffrn_orient_matrix_UB_33      0.0383351000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25596
_reflns_number_total             36215
_reflns_odcompleteness_completeness 90.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.480
_refine_diff_density_min         -2.963
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1339
_refine_ls_number_reflns         36215
_refine_ls_number_restraints     337
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0925P)²+264.0749P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1678
_refine_ls_wR_factor_ref         0.1809
_refine_special_details          SQUEEZE
_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
 C26-C11
 1.4 with sigma of 0.02
 C36-C029
 1.4 with sigma of 0.02
 C159-C36
 1.4 with sigma of 0.02
 C11-C55
 1.4 with sigma of 0.02
 C029-C26
 1.4 with sigma of 0.02
 C55-C159
 1.4 with sigma of 0.02
3. Rigid bond restraints
 C30, C037
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C26) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C159)
\\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C029) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C3) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C53)
\\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C33) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C039)
\\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02K) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C37) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C55, C159, C36, C029, C26, C11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C48, C25, C12, C19, C03A, C02H
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C20, C030, C02Y, C9, C16
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C029, C26, C11, C55, C159, C36
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C02Q, C7, C02T, C5, C02A, C22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C2, C53, C44, C45, C3, C32
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C23, C14, C158, C37, C02J, C038
 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:
 C00M(H00M), C00U(H00U), C00W(H00W), C01B(H01d), C01D(H01e), C01E(H01f),
 C01F(H01g), C01G(H01h), C01L(H01L), C01P(H01P), C01U(H01U), C01Y(H01Y),
 C020(H020), C021(H021), C022(H022), C023(H023), C024(H024), C025(H025),
 C02B(H02B), C02C(H02C), C29(H29), C4(H4), C27(H27), C02U(H02U), C02E(H02E),
 C02F(H02F), C02G(H02G), C02K(H02K), C02M(H02M), C02N(H02N), C02O(H02O),
 C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S), C02T(H02T), C02W(H02W), C9(H9),
  C16(H16), C21(H21), C20(H20), C030(H030), C033(H033), C034(H034), C035(H035),
 C036(H036), C18(H18), C6(H6), C33(H33), C10(H10), C30(H30), C039(H039),
 C03D(H03D), C03E(H03E), C03F(H03F), C13(H13), C15(H15), C17(H17), C24(H24),
 C31(H31), C143(H143), C75(H75), C8(H8), C131(H131), C5(H5), C7(H7), C22(H22),
 C2(H2), C32(H32), C3(H3), C45(H45), C44(H44), C25(H25), C12(H12), C19(H19),
 C03A(H03g), C48(H48), C35(H35), C34(H34), C28(H28), C158(H158), C37(H37),
 C038(H038), C23(H23), C14(H14), C159(H159), C36(H36), C029(H029), C11(H11),
 C55(H55)
6.b Fitted hexagon refined as free rotating group:
 C02C(C29,C4,C27,C02U,C01M), C02Y(C9,C16,C21,C20,C030), C037(C18,C6,C33,C10,
 C30), C53(C2,C32,C3,C45,C44), C25(C12,C19,C03A,C02H,C48), C158(C37,C02J,C038,
 C23,C14)
6.c Idealised Me refined as rotating group:
 C00T(H00a,H00b,H00c), C011(H01a,H01b,H01c), C02I(H02a,H02d,H02h), C02L(H02i,
 H02j,H02l), C032(H03a,H03b,H03c), C1(H1a,H1b,H1c)
;
_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 0.52974(2) 0.69759(3) 0.74490(2) 0.05322(12) Uani 1 1 d . . . . .
Au02 Au 0.57931(2) 0.70910(3) 0.80695(2) 0.05823(13) Uani 1 1 d . . . . .
Au03 Au 0.51610(2) 0.68553(3) 0.67544(2) 0.05784(13) Uani 1 1 d . . . . .
Au04 Au 0.56000(2) 0.79853(3) 0.70914(2) 0.06088(14) Uani 1 1 d . . . . .
Au05 Au 0.61074(2) 0.80125(3) 0.77221(2) 0.06236(14) Uani 1 1 d . . . . .
Au06 Au 0.58541(2) 0.59647(3) 0.76268(2) 0.06137(14) Uani 1 1 d . . . . .
Au07 Au 0.57219(2) 0.59160(3) 0.69223(2) 0.06338(14) Uani 1 1 d . . . . .
Au08 Au 0.64238(2) 0.65642(3) 0.78901(2) 0.06721(16) Uani 1 1 d . . . . .
Au09 Au 0.58302(2) 0.73704(4) 0.66577(2) 0.06883(16) Uani 1 1 d . . . . .
Au0A Au 0.63782(2) 0.69692(4) 0.72193(2) 0.07304(18) Uani 1 1 d . . . . .
Au0B Au 0.52230(2) 0.66895(4) 0.61394(2) 0.07716(18) Uani 1 1 d . . . . .
Au0C Au 0.63759(2) 0.72367(4) 0.85679(2) 0.07684(18) Uani 1 1 d . . . . .
Au0D Au 0.62131(2) 0.83727(4) 0.71399(2) 0.08046(19) Uani 1 1 d . . . . .
Au0E Au 0.63218(2) 0.55702(4) 0.73453(2) 0.0843(2) Uani 1 1 d . . . . .
P00F P 0.51609(8) 0.5971(2) 0.56949(8) 0.0770(11) Uani 1 1 d . . . . .
P00G P 0.67018(8) 0.7970(3) 0.89580(9) 0.0882(13) Uani 1 1 d . . . . .
P00H P 0.66961(9) 0.4791(3) 0.74552(12) 0.0991(16) Uani 1 1 d . . . . .
P00I P 0.64320(10) 0.9144(3) 0.69151(13) 0.113(2) Uani 1 1 d . . . . .
C00K C 0.5484(2) 0.7866(7) 0.7766(3) 0.059(3) Uani 1 1 d . . . . .
C00L C 0.5619(2) 0.8302(6) 0.7599(2) 0.051(2) Uani 1 1 d . . . . .
C00M C 0.5318(2) 0.8154(7) 0.7953(3) 0.057(3) Uani 1 1 d . . . . .
H00M H 0.522885 0.786902 0.806281 0.068 Uiso 1 1 calc R U . . .
C00N C 0.6106(2) 0.6328(6) 0.8376(3) 0.055(3) Uani 1 1 d . . . . .
C00O C 0.5176(2) 0.6055(6) 0.7123(2) 0.048(2) Uani 1 1 d . . . . .
C00P C 0.4826(3) 0.5122(8) 0.7003(3) 0.065(3) Uani 1 1 d . . . . .
C00Q C 0.6681(3) 0.7324(8) 0.7746(3) 0.065(3) Uani 1 1 d . . . . .
C00R C 0.6573(3) 0.7903(8) 0.7849(3) 0.073(4) Uani 1 1 d . . . . .
C00S C 0.5151(2) 0.7602(8) 0.6385(3) 0.067(4) Uani 1 1 d . . . . .
C00T C 0.4504(3) 0.4853(8) 0.6896(4) 0.072(4) Uani 1 1 d . . . . .
H00A H 0.449028 0.462345 0.709377 0.108 Uiso 1 1 calc R U . . .
H00B H 0.445671 0.454833 0.670124 0.108 Uiso 1 1 calc R U . . .
H00C H 0.435813 0.521505 0.682514 0.108 Uiso 1 1 calc R U . . .
C00U C 0.6786(3) 0.8395(8) 0.8039(3) 0.072(4) Uani 1 1 d . . . . .
H00U H 0.671739 0.878774 0.810281 0.086 Uiso 1 1 calc R U . . .
C00V C 0.5998(3) 0.6020(8) 0.6643(3) 0.068(4) Uani 1 1 d . . . . .
C00W C 0.4869(3) 0.5780(8) 0.7020(3) 0.065(3) Uani 1 1 d . . . . .
H00W H 0.470025 0.606485 0.696572 0.078 Uiso 1 1 calc R U . . .
C00X C 0.4869(3) 0.7928(8) 0.6139(3) 0.070(4) Uani 1 1 d . . . . .
C00Y C 0.5588(3) 0.9010(7) 0.7619(3) 0.064(3) Uani 1 1 d . . . . .
C00Z C 0.5382(3) 0.4937(7) 0.7206(3) 0.066(3) Uani 1 1 d . . . . .
C010 C 0.5285(2) 0.8819(7) 0.7980(3) 0.063(3) Uani 1 1 d . . . . .
C011 C 0.5112(3) 0.9112(8) 0.8178(4) 0.081(4) Uani 1 1 d . . . . .
H01A H 0.497978 0.877881 0.821009 0.121 Uiso 1 1 calc R U . . .
H01B H 0.498858 0.948025 0.804598 0.121 Uiso 1 1 calc R U . . .
H01C H 0.525608 0.926691 0.840626 0.121 Uiso 1 1 calc R U . . .
C012 C 0.6233(2) 0.5979(8) 0.8174(3) 0.063(3) Uani 1 1 d . . . . .
C013 C 0.5432(3) 0.7965(7) 0.6499(3) 0.066(4) Uani 1 1 d . . . . .
C014 C 0.5425(2) 0.5665(7) 0.7201(3) 0.060(3) Uani 1 1 d . . . . .
C015 C 0.6072(3) 0.6012(8) 0.8670(3) 0.073(4) Uani 1 1 d . . . . .
C016 C 0.6181(3) 0.5368(9) 0.8759(4) 0.081(4) Uani 1 1 d . . . . .
C017 C 0.5355(4) 0.6234(10) 0.5420(4) 0.089(5) Uani 1 1 d . . . . .
C018 C 0.4754(4) 0.5960(10) 0.5396(3) 0.086(5) Uani 1 1 d . . . . .
C019 C 0.7221(3) 0.7744(10) 0.8045(4) 0.086(5) Uani 1 1 d . . . . .
C01B C 0.5936(3) 0.6361(9) 0.8875(3) 0.078(4) Uani 1 1 d . . . . .
H01D H 0.587507 0.680482 0.882621 0.093 Uiso 1 1 calc R U . . .
C01C C 0.4868(3) 0.8555(8) 0.6010(3) 0.076(4) Uani 1 1 d . . . . .
C01D C 0.6158(4) 0.5063(11) 0.9072(4) 0.104(6) Uani 1 1 d . . . . .
H01E H 0.624435 0.464458 0.915043 0.125 Uiso 1 1 calc R U . . .
C01E C 0.4582(3) 0.7570(8) 0.6019(4) 0.079(4) Uani 1 1 d . . . . .
H01F H 0.458199 0.713857 0.610290 0.094 Uiso 1 1 calc R U . . .
C01F C 0.5428(3) 0.8619(8) 0.6371(3) 0.080(4) Uani 1 1 d . . . . .
H01G H 0.561270 0.885525 0.644319 0.096 Uiso 1 1 calc R U . . .
C01G C 0.5738(3) 0.9464(8) 0.7473(4) 0.077(4) Uani 1 1 d . . . . .
H01H H 0.585723 0.930368 0.735808 0.093 Uiso 1 1 calc R U . . .
C01H C 0.5075(3) 0.4692(7) 0.7084(4) 0.065(3) Uani 1 1 d . . . . .
C01I C 0.6161(3) 0.6618(9) 0.6676(3) 0.078(4) Uani 1 1 d . . . . .
C01J C 0.7000(3) 0.7242(11) 0.7840(4) 0.093(6) Uani 1 1 d . . . . .
C01L C 0.5652(4) 0.6478(12) 0.5592(5) 0.112(7) Uani 1 1 d . . . . .
H01L H 0.575010 0.649321 0.583876 0.134 Uiso 1 1 calc R U . . .
C01O C 0.5155(4) 0.8922(9) 0.6139(4) 0.085(4) Uani 1 1 d . . . . .
C01P C 0.6327(3) 0.5325(10) 0.8260(4) 0.091(5) Uani 1 1 d . . . . .
H01P H 0.641718 0.510770 0.812659 0.110 Uiso 1 1 calc R U . . .
C01R C 0.6342(3) 0.6704(11) 0.6473(3) 0.093(6) Uani 1 1 d . . . . .
C01T C 0.5423(3) 0.9270(9) 0.7820(3) 0.079(4) Uani 1 1 d . . . . .
C01U C 0.4316(3) 0.7829(10) 0.5795(4) 0.098(6) Uani 1 1 d . . . . .
H01U H 0.413410 0.758374 0.572271 0.118 Uiso 1 1 calc R U . . .
C01V C 0.7100(3) 0.8300(10) 0.8132(4) 0.086(5) Uani 1 1 d . . . . .
C01X C 0.6296(3) 0.4970(8) 0.8537(4) 0.077(4) Uani 1 1 d . . . . .
C01Y C 0.6922(3) 0.5455(10) 0.7025(5) 0.100(6) Uani 1 1 d . . . . .
H01Y H 0.671685 0.558199 0.689661 0.120 Uiso 1 1 calc R U . . .
C01Z C 0.7104(3) 0.7764(10) 0.9109(4) 0.088(5) Uani 1 1 d . . . . .
C020 C 0.6028(3) 0.5500(10) 0.6431(4) 0.085(5) Uani 1 1 d . . . . .
H020 H 0.591992 0.510842 0.642209 0.102 Uiso 1 1 calc R U . . .
C021 C 0.7195(4) 0.7434(11) 0.8893(4) 0.102(6) Uani 1 1 d . . . . .
H021 H 0.705074 0.732792 0.866647 0.123 Uiso 1 1 calc R U . . .
C022 C 0.4587(3) 0.8825(10) 0.5777(4) 0.102(6) Uani 1 1 d . . . . .
H022 H 0.458071 0.925497 0.568990 0.122 Uiso 1 1 calc R U . . .
C023 C 0.5638(3) 0.4514(8) 0.7298(4) 0.071(3) Uani 1 1 d . . . . .
H023 H 0.583665 0.468895 0.737712 0.085 Uiso 1 1 calc R U . . .
C024 C 0.6519(4) 0.7226(12) 0.6505(5) 0.112(7) Uani 1 1 d . . . . .
H024 H 0.653033 0.754765 0.667226 0.134 Uiso 1 1 calc R U . . .
C025 C 0.4594(3) 0.5340(9) 0.5280(3) 0.080(4) Uani 1 1 d . . . . .
H025 H 0.469856 0.493766 0.535068 0.096 Uiso 1 1 calc R U . . .
C026 C 0.6363(4) 0.6152(13) 0.6257(5) 0.112(7) Uani 1 1 d . . . . .
C02A C 0.6799(4) 0.8788(13) 0.6915(4) 0.117(7) Uani 1 1 d . . . . .
C02B C 0.6010(5) 0.5395(12) 0.9248(5) 0.114(7) Uani 1 1 d . . . . .
H02B H 0.598651 0.519103 0.943764 0.137 Uiso 1 1 calc R U . . .
C02C C 0.5230(3) 0.4875(6) 0.6124(3) 0.106(6) Uani 1 1 d G . . . .
H02C H 0.514199 0.514405 0.624232 0.127 Uiso 1 1 calc R U . . .
C29 C 0.5311(3) 0.4220(7) 0.6235(3) 0.128(8) Uani 1 1 d G . . . .
H29 H 0.527816 0.405158 0.642624 0.154 Uiso 1 1 calc R U . . .
C4 C 0.5443(3) 0.3818(5) 0.6058(3) 0.120(7) Uani 1 1 d G . . . .
H4 H 0.549720 0.338009 0.613206 0.145 Uiso 1 1 calc R U . . .
C27 C 0.5492(3) 0.4070(6) 0.5772(3) 0.115(6) Uani 1 1 d G . . . .
H27 H 0.558008 0.380105 0.565396 0.137 Uiso 1 1 calc R U . . .
C02U C 0.5411(3) 0.4725(6) 0.5662(2) 0.089(5) Uani 1 1 d G . . . .
H02U H 0.544392 0.489351 0.547004 0.106 Uiso 1 1 calc R U . . .
C01M C 0.5279(2) 0.5127(5) 0.5838(3) 0.082(4) Uani 1 1 d G . . . .
C02E C 0.5897(4) 0.6020(10) 0.9147(4) 0.090(5) Uani 1 1 d . . . . .
H02E H 0.579018 0.622721 0.926433 0.108 Uiso 1 1 calc R U . . .
C02F C 0.5799(4) 0.6700(13) 0.5381(6) 0.129(8) Uani 1 1 d . . . . .
H02F H 0.599739 0.687546 0.549330 0.155 Uiso 1 1 calc R U . . .
C02G C 0.5214(4) 0.6201(10) 0.5058(4) 0.100(6) Uani 1 1 d . . . . .
H02G H 0.501678 0.602134 0.494627 0.120 Uiso 1 1 calc R U . . .
C02I C 0.6397(4) 0.4268(10) 0.8623(5) 0.113(7) Uani 1 1 d . . . . .
H02A H 0.623471 0.401373 0.864627 0.170 Uiso 1 1 calc R U . . .
H02D H 0.657849 0.425291 0.884263 0.170 Uiso 1 1 calc R U . . .
H02H H 0.644474 0.408231 0.843643 0.170 Uiso 1 1 calc R U . . .
C02K C 0.7535(4) 0.7659(10) 0.8140(4) 0.090(4) Uani 1 1 d . U . . .
H02K H 0.767322 0.800240 0.825023 0.108 Uiso 1 1 calc R U . . .
C02L C 0.5171(5) 0.9607(11) 0.6003(6) 0.126(8) Uani 1 1 d . . . . .
H02I H 0.511234 0.958815 0.575144 0.188 Uiso 1 1 calc R U . . .
H02J H 0.537874 0.977375 0.611804 0.188 Uiso 1 1 calc R U . . .
H02L H 0.503274 0.989725 0.605333 0.188 Uiso 1 1 calc R U . . .
C02M C 0.4602(4) 0.6565(11) 0.5291(4) 0.096(5) Uani 1 1 d . . . . .
H02M H 0.470132 0.697129 0.537012 0.115 Uiso 1 1 calc R U . . .
C02N C 0.7332(4) 0.7908(12) 0.9432(5) 0.123(8) Uani 1 1 d . . . . .
H02N H 0.727286 0.811191 0.959664 0.147 Uiso 1 1 calc R U . . .
C02O C 0.4288(5) 0.5347(12) 0.5067(5) 0.108(7) Uani 1 1 d . . . . .
H02O H 0.418237 0.494370 0.500426 0.130 Uiso 1 1 calc R U . . .
C02P C 0.5395(4) 0.9979(8) 0.7835(4) 0.088(5) Uani 1 1 d . . . . .
H02P H 0.527766 1.016953 0.794512 0.106 Uiso 1 1 calc R U . . .
C02Q C 0.7179(5) 0.8854(18) 0.6665(6) 0.165(10) Uani 1 1 d . . . . .
H02Q H 0.724344 0.897595 0.648872 0.198 Uiso 1 1 calc R U . . .
C02R C 0.7126(3) 0.6682(12) 0.7745(5) 0.117(8) Uani 1 1 d . . . . .
H02R H 0.699124 0.635548 0.760554 0.141 Uiso 1 1 calc R U . . .
C02S C 0.5040(4) 0.3997(10) 0.7073(4) 0.091(5) Uani 1 1 d . . . . .
H02S H 0.484229 0.382338 0.700570 0.109 Uiso 1 1 calc R U . . .
C02T C 0.7253(4) 0.8176(13) 0.7184(6) 0.129(7) Uani 1 1 d . . . . .
H02T H 0.737679 0.787505 0.735443 0.155 Uiso 1 1 calc R U . . .
C02V C 0.7000(3) 0.5047(11) 0.7321(5) 0.104(6) Uani 1 1 d . . . . .
C02W C 0.7642(4) 0.7047(10) 0.8069(5) 0.101(5) Uani 1 1 d . U . . .
H02W H 0.785315 0.695296 0.817252 0.121 Uiso 1 1 calc R U . . .
C02Y C 0.6628(2) 0.7961(8) 0.9353(2) 0.110(5) Uani 1 1 d G . . . .
C9 C 0.6616(3) 0.8543(7) 0.9531(4) 0.143(7) Uani 1 1 d G . . . .
H9 H 0.664218 0.895498 0.944352 0.172 Uiso 1 1 calc R U . . .
C16 C 0.6565(3) 0.8508(9) 0.9840(4) 0.178(10) Uani 1 1 d G . . . .
H16 H 0.655716 0.889756 0.995856 0.213 Uiso 1 1 calc R U . . .
C21 C 0.6526(3) 0.7892(11) 0.9971(3) 0.167(10) Uani 1 1 d G . . . .
H21 H 0.649177 0.786894 1.017709 0.200 Uiso 1 1 calc R U . . .
C20 C 0.6538(3) 0.7310(8) 0.9793(3) 0.163(9) Uani 1 1 d G . . . .
H20 H 0.651141 0.689774 0.988058 0.196 Uiso 1 1 calc R U . . .
C030 C 0.6589(3) 0.7344(7) 0.9484(3) 0.126(6) Uani 1 1 d G . . . .
H030 H 0.659644 0.695515 0.936554 0.151 Uiso 1 1 calc R U . . .
C02Z C 0.6200(4) 0.5520(11) 0.6242(4) 0.096(6) Uani 1 1 d . . . . .
C032 C 0.7316(4) 0.8870(11) 0.8308(6) 0.131(8) Uani 1 1 d . . . . .
H03A H 0.720020 0.927841 0.826363 0.197 Uiso 1 1 calc R U . . .
H03B H 0.746984 0.890238 0.821294 0.197 Uiso 1 1 calc R U . . .
H03C H 0.741501 0.879206 0.855925 0.197 Uiso 1 1 calc R U . . .
C033 C 0.4315(4) 0.8450(12) 0.5674(5) 0.117(7) Uani 1 1 d . . . . .
H033 H 0.412908 0.863621 0.551871 0.141 Uiso 1 1 calc R U . . .
C034 C 0.7512(4) 0.7235(12) 0.8997(5) 0.111(7) Uani 1 1 d . . . . .
H034 H 0.756732 0.698371 0.884230 0.133 Uiso 1 1 calc R U . . .
C035 C 0.7160(5) 0.5680(13) 0.6917(6) 0.141(10) Uani 1 1 d . . . . .
H035 H 0.711793 0.600878 0.674435 0.169 Uiso 1 1 calc R U . . .
C036 C 0.5591(4) 0.3844(10) 0.7271(5) 0.098(5) Uani 1 1 d . . . . .
H036 H 0.576137 0.356413 0.732776 0.117 Uiso 1 1 calc R U . . .
C037 C 0.6541(3) 0.9890(6) 0.7159(4) 0.125(8) Uani 1 1 d G U . . .
C18 C 0.6680(3) 1.0397(9) 0.7047(4) 0.180(13) Uani 1 1 d G . . . .
H18 H 0.671311 1.034511 0.684117 0.216 Uiso 1 1 calc R U . . .
C6 C 0.6771(4) 1.0983(7) 0.7244(5) 0.167(11) Uani 1 1 d G U . . .
H6 H 0.686458 1.132214 0.716902 0.200 Uiso 1 1 calc R U . . .
C33 C 0.6722(4) 1.1060(7) 0.7552(5) 0.164(11) Uani 1 1 d G U . . .
H33 H 0.678282 1.145198 0.768323 0.197 Uiso 1 1 calc R U . . .
C10 C 0.6582(4) 1.0553(9) 0.7663(4) 0.210(18) Uani 1 1 d G . . . .
H10 H 0.654959 1.060479 0.786960 0.252 Uiso 1 1 calc R U . . .
C30 C 0.6492(3) 0.9967(7) 0.7467(4) 0.132(8) Uani 1 1 d G U . . .
H30 H 0.639811 0.962775 0.754175 0.158 Uiso 1 1 calc R U . . .
C039 C 0.6707(5) 0.6844(11) 0.6085(5) 0.107(6) Uani 1 1 d . U . . .
H039 H 0.681871 0.691143 0.594743 0.129 Uiso 1 1 calc R U . . .
C03D C 0.5705(4) 1.0126(9) 0.7504(5) 0.093(5) Uani 1 1 d . . . . .
H03D H 0.579607 1.042250 0.740123 0.112 Uiso 1 1 calc R U . . .
C03E C 0.5289(4) 0.3548(8) 0.7158(5) 0.098(5) Uani 1 1 d . . . . .
H03E H 0.525925 0.308780 0.714116 0.117 Uiso 1 1 calc R U . . .
C03F C 0.4129(4) 0.5924(15) 0.4941(4) 0.115(8) Uani 1 1 d . . . . .
H03F H 0.392207 0.591647 0.478269 0.137 Uiso 1 1 calc R U . . .
C13 C 0.5671(5) 0.6676(12) 0.5026(6) 0.120(7) Uani 1 1 d . . . . .
H13 H 0.578380 0.681428 0.489869 0.144 Uiso 1 1 calc R U . . .
C15 C 0.4285(5) 0.6526(13) 0.5057(5) 0.110(7) Uani 1 1 d . . . . .
H15 H 0.417560 0.692168 0.497653 0.132 Uiso 1 1 calc R U . . .
C17 C 0.5373(5) 0.6447(12) 0.4850(5) 0.123(8) Uani 1 1 d . . . . .
H17 H 0.527654 0.645069 0.460305 0.147 Uiso 1 1 calc R U . . .
C24 C 0.5542(4) 1.0367(11) 0.7683(5) 0.102(5) Uani 1 1 d . . . . .
H24 H 0.553064 1.082739 0.770359 0.122 Uiso 1 1 calc R U . . .
C31 C 0.7639(4) 0.7783(13) 0.9535(5) 0.119(7) Uani 1 1 d . . . . .
H31 H 0.778477 0.794478 0.974953 0.143 Uiso 1 1 calc R U . . .
C143 C 0.7724(4) 0.7407(14) 0.9312(6) 0.131(9) Uani 1 1 d . . . . .
H143 H 0.792861 0.727462 0.938105 0.157 Uiso 1 1 calc R U . . .
C75 C 0.7311(4) 0.4778(12) 0.7505(6) 0.119(7) Uani 1 1 d . . . . .
H75 H 0.737015 0.451455 0.770742 0.142 Uiso 1 1 calc R U . . .
C8 C 0.7456(5) 0.5394(13) 0.7079(7) 0.130(8) Uani 1 1 d . . . . .
H8 H 0.760995 0.550536 0.700233 0.156 Uiso 1 1 calc R U . . .
C131 C 0.7513(4) 0.4957(13) 0.7346(6) 0.122(8) Uani 1 1 d . . . . .
H131 H 0.770607 0.475098 0.743470 0.147 Uiso 1 1 calc R U . . .
C5 C 0.6970(3) 0.8391(11) 0.7168(4) 0.102(5) Uani 1 1 d . . . . .
H5 H 0.690158 0.825077 0.733850 0.122 Uiso 1 1 calc R U . . .
C7 C 0.7341(5) 0.8456(15) 0.6917(7) 0.146(8) Uani 1 1 d . . . . .
H7 H 0.753477 0.833629 0.692773 0.175 Uiso 1 1 calc R U . . .
C22 C 0.6904(5) 0.9098(16) 0.6665(6) 0.168(10) Uani 1 1 d . . . . .
H22 H 0.679299 0.943863 0.651322 0.201 Uiso 1 1 calc R U . . .
C53 C 0.6913(3) 0.4636(10) 0.7947(3) 0.121(5) Uani 1 1 d G U . . .
C2 C 0.7069(4) 0.5178(8) 0.8153(6) 0.166(8) Uani 1 1 d G U . . .
H2 H 0.706669 0.558809 0.804634 0.199 Uiso 1 1 calc R U . . .
C32 C 0.7227(4) 0.5108(10) 0.8519(5) 0.182(8) Uani 1 1 d G U . . .
H32 H 0.733144 0.547023 0.865648 0.219 Uiso 1 1 calc R U . . .
C3 C 0.7231(4) 0.4495(12) 0.8678(3) 0.182(9) Uani 1 1 d G U . . .
H3 H 0.733678 0.444759 0.892286 0.218 Uiso 1 1 calc R U . . .
C45 C 0.7075(4) 0.3953(9) 0.8472(5) 0.148(6) Uani 1 1 d G U . . .
H45 H 0.707736 0.354281 0.857911 0.178 Uiso 1 1 calc R U . . .
C44 C 0.6917(4) 0.4023(8) 0.8107(5) 0.159(7) Uani 1 1 d G U . . .
H44 H 0.681261 0.366065 0.796898 0.191 Uiso 1 1 calc R U . . .
C25 C 0.6809(4) 0.9973(8) 0.8803(5) 0.180(13) Uani 1 1 d G . . . .
H25 H 0.696382 1.029518 0.887769 0.216 Uiso 1 1 calc R U . . .
C12 C 0.6508(4) 1.0149(6) 0.8578(5) 0.168(11) Uani 1 1 d G . . . .
H12 H 0.646188 1.058787 0.850236 0.202 Uiso 1 1 calc R U . . .
C19 C 0.6276(3) 0.9667(8) 0.8467(4) 0.147(9) Uani 1 1 d G . . . .
H19 H 0.607512 0.978475 0.831697 0.176 Uiso 1 1 calc R U . . .
C03A C 0.6345(2) 0.9011(7) 0.8581(3) 0.119(6) Uani 1 1 d G . . . .
H03G H 0.619029 0.868893 0.850691 0.143 Uiso 1 1 calc R U . . .
C02H C 0.6646(3) 0.8836(6) 0.8806(3) 0.103(5) Uani 1 1 d G . . . .
C48 C 0.6878(2) 0.9317(9) 0.8917(4) 0.149(9) Uani 1 1 d G . . . .
H48 H 0.707900 0.919934 0.906763 0.179 Uiso 1 1 calc R U . . .
C35 C 0.6547(4) 0.6204(11) 0.6059(5) 0.109(6) Uani 1 1 d . U . . .
H35 H 0.656524 0.585258 0.592181 0.130 Uiso 1 1 calc R U . . .
C34 C 0.6695(4) 0.7335(14) 0.6303(5) 0.130(9) Uani 1 1 d . . . . .
H34 H 0.679946 0.773564 0.631997 0.155 Uiso 1 1 calc R U . . .
C28 C 0.7443(4) 0.6588(16) 0.7850(6) 0.162(12) Uani 1 1 d . . . . .
H28 H 0.751668 0.621856 0.777143 0.195 Uiso 1 1 calc R U . . .
C158 C 0.6670(4) 0.2920(8) 0.7050(6) 0.219(16) Uani 1 1 d G . . . .
H158 H 0.681089 0.259777 0.704830 0.263 Uiso 1 1 calc R U . . .
C37 C 0.6776(3) 0.3523(9) 0.7225(5) 0.167(9) Uani 1 1 d G U . . .
H37 H 0.698765 0.360314 0.733995 0.200 Uiso 1 1 calc R U . . .
C02J C 0.6566(3) 0.4005(7) 0.7228(4) 0.116(6) Uani 1 1 d G . . . .
C038 C 0.6250(3) 0.3884(7) 0.7057(4) 0.111(5) Uani 1 1 d G . . . .
H038 H 0.610954 0.420688 0.705863 0.133 Uiso 1 1 calc R U . . .
C23 C 0.6144(3) 0.3282(8) 0.6882(4) 0.133(7) Uani 1 1 d G . . . .
H23 H 0.593278 0.320152 0.676698 0.160 Uiso 1 1 calc R U . . .
C14 C 0.6354(4) 0.2800(7) 0.6879(5) 0.218(16) Uani 1 1 d G . . . .
H14 H 0.628345 0.239695 0.676181 0.262 Uiso 1 1 calc R U . . .
C159 C 0.5857(8) 0.9560(16) 0.5785(9) 0.187(9) Uani 1 1 d D U . . .
H159 H 0.578902 0.968929 0.554839 0.224 Uiso 1 1 calc R U . . .
C36 C 0.5875(7) 1.0120(16) 0.5997(8) 0.177(8) Uani 1 1 d D U . . .
H36 H 0.577249 1.052313 0.591773 0.213 Uiso 1 1 calc R U . . .
C029 C 0.6079(7) 0.9964(14) 0.6361(8) 0.170(8) Uani 1 1 d D U . . .
H029 H 0.614003 1.028075 0.654124 0.204 Uiso 1 1 calc R U . . .
C26 C 0.6178(7) 0.9298(14) 0.6419(7) 0.154(7) Uani 1 1 d D U . . .
C11 C 0.6115(7) 0.8745(16) 0.6184(8) 0.176(8) Uani 1 1 d D U . . .
H11 H 0.620225 0.832869 0.626478 0.212 Uiso 1 1 calc R U . . .
C1 C 0.6236(5) 0.4918(11) 0.6033(5) 0.120(7) Uani 1 1 d . . . . .
H1A H 0.643090 0.470551 0.616480 0.181 Uiso 1 1 calc R U . . .
H1B H 0.622711 0.506434 0.580755 0.181 Uiso 1 1 calc R U . . .
H1C H 0.607100 0.460667 0.599584 0.181 Uiso 1 1 calc R U . . .
C55 C 0.5910(8) 0.8848(16) 0.5816(8) 0.198(9) Uani 1 1 d D U . . .
H55 H 0.583098 0.852829 0.563782 0.237 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 Au01 3.0108(8) 2_656 ?
Au01 Au02 2.6841(6) . ?
Au01 Au03 2.6774(6) . ?
Au01 Au04 3.1686(7) . ?
Au01 Au06 3.1638(7) . ?
Au01 C00K 2.173(12) . ?
Au01 C00O 2.216(11) . ?
Au02 Au05 3.0682(7) . ?
Au02 Au06 2.9897(8) . ?
Au02 Au0C 2.7002(6) . ?
Au02 C00K 2.152(13) . ?
Au02 C00N 2.145(11) . ?
Au03 Au04 3.0030(7) . ?
Au03 Au07 3.0934(7) . ?
Au03 Au0B 2.6900(6) . ?
Au03 C00O 2.191(11) . ?
Au03 C00S 2.121(14) . ?
Au04 Au05 2.7269(6) . ?
Au04 Au09 2.7371(7) . ?
Au04 Au0D 2.9308(7) . ?
Au04 C00L 2.154(10) . ?
Au04 C013 2.240(10) . ?
Au05 Au08 3.2087(9) . ?
Au05 Au0D 2.7410(7) . ?
Au05 C00L 2.230(10) . ?
Au05 C00R 2.058(12) . ?
Au06 Au07 2.7120(6) . ?
Au06 Au08 2.7390(7) . ?
Au06 Au0E 2.9945(7) . ?
Au06 C012 2.239(11) . ?
Au06 C014 2.158(10) . ?
Au07 Au09 3.2249(9) . ?
Au07 Au0E 2.7464(7) . ?
Au07 C00V 2.073(10) . ?
Au07 C014 2.208(9) . ?
Au08 Au0A 2.8046(7) . ?
Au08 Au0C 3.1930(8) . ?
Au08 Au0E 2.8913(9) . ?
Au08 C00Q 2.176(13) . ?
Au08 C012 2.103(11) . ?
Au09 Au0A 2.7989(7) . ?
Au09 Au0B 3.1106(7) . ?
Au09 Au0D 2.8861(9) . ?
Au09 C013 2.096(14) . ?
Au09 C01I 2.154(14) . ?
Au0A Au0D 2.9011(11) . ?
Au0A Au0E 2.8828(11) . ?
Au0A C00Q 2.176(11) . ?
Au0A C01I 2.167(12) . ?
Au0B P00F 2.254(4) . ?
Au0B C00S 2.183(14) . ?
Au0C P00G 2.259(4) . ?
Au0C C00N 2.178(13) . ?
Au0D P00I 2.259(5) . ?
Au0E P00H 2.264(4) . ?
P00F C017 1.807(14) . ?
P00F C018 1.815(15) . ?
P00F C01M 1.802(11) . ?
P00G C01Z 1.791(17) . ?
P00G C02Y 1.802(10) . ?
P00G C02H 1.826(13) . ?
P00H C02V 1.810(18) . ?
P00H C53 1.888(13) . ?
P00H C02J 1.807(13) . ?
P00I C02A 1.88(2) . ?
P00I C037 1.756(14) . ?
P00I C26 1.93(3) . ?
C00K C00L 1.417(16) . ?
C00K C00M 1.428(15) . ?
C00L C00Y 1.433(18) . ?
C00M H00M 0.9300 . ?
C00M C010 1.351(18) . ?
C00N C012 1.400(17) . ?
C00N C015 1.431(16) . ?
C00O C00W 1.448(14) . ?
C00O C014 1.337(16) . ?
C00P C00T 1.505(15) . ?
C00P C00W 1.33(2) . ?
C00P C01H 1.386(18) . ?
C00Q C00R 1.40(2) . ?
C00Q C01J 1.407(17) . ?
C00R C00U 1.400(19) . ?
C00S C00X 1.463(16) . ?
C00S C013 1.416(16) . ?
C00T H00A 0.9600 . ?
C00T H00B 0.9600 . ?
C00T H00C 0.9600 . ?
C00U H00U 0.9300 . ?
C00U C01V 1.387(18) . ?
C00V C01I 1.40(2) . ?
C00V C020 1.40(2) . ?
C00W H00W 0.9300 . ?
C00X C01C 1.36(2) . ?
C00X C01E 1.434(17) . ?
C00Y C01G 1.430(18) . ?
C00Y C01T 1.446(19) . ?
C00Z C014 1.48(2) . ?
C00Z C01H 1.417(16) . ?
C00Z C023 1.398(18) . ?
C010 C011 1.493(17) . ?
C010 C01T 1.43(2) . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 C01P 1.38(2) . ?
C013 C01F 1.41(2) . ?
C015 C016 1.38(2) . ?
C015 C01B 1.438(18) . ?
C016 C01D 1.472(18) . ?
C016 C01X 1.48(2) . ?
C017 C01L 1.38(2) . ?
C017 C02G 1.37(2) . ?
C018 C025 1.43(2) . ?
C018 C02M 1.39(2) . ?
C019 C01J 1.45(2) . ?
C019 C01V 1.36(2) . ?
C019 C02K 1.39(2) . ?
C01B H01D 0.9300 . ?
C01B C02E 1.388(19) . ?
C01C C01O 1.44(2) . ?
C01C C022 1.39(2) . ?
C01D H01E 0.9300 . ?
C01D C02B 1.37(2) . ?
C01E H01F 0.9300 . ?
C01E C01U 1.32(2) . ?
C01F H01G 0.9300 . ?
C01F C01O 1.39(2) . ?
C01G H01H 0.9300 . ?
C01G C03D 1.35(2) . ?
C01H C02S 1.40(2) . ?
C01I C01R 1.427(16) . ?
C01J C02R 1.40(3) . ?
C01L H01L 0.9300 . ?
C01L C02F 1.39(2) . ?
C01O C02L 1.50(2) . ?
C01P H01P 0.9300 . ?
C01P C01X 1.40(2) . ?
C01R C024 1.31(3) . ?
C01R C026 1.45(3) . ?
C01T C02P 1.43(2) . ?
C01U H01U 0.9300 . ?
C01U C033 1.34(3) . ?
C01V C032 1.51(2) . ?
C01X C02I 1.48(2) . ?
C01Y H01Y 0.9300 . ?
C01Y C02V 1.39(3) . ?
C01Y C035 1.44(2) . ?
C01Z C021 1.32(2) . ?
C01Z C02N 1.36(2) . ?
C020 H020 0.9300 . ?
C020 C02Z 1.338(18) . ?
C021 H021 0.9300 . ?
C021 C034 1.44(2) . ?
C022 H022 0.9300 . ?
C022 C033 1.40(2) . ?
C023 H023 0.9300 . ?
C023 C036 1.36(2) . ?
C024 H024 0.9300 . ?
C024 C34 1.41(2) . ?
C025 H025 0.9300 . ?
C025 C02O 1.35(2) . ?
C026 C02Z 1.47(3) . ?
C026 C35 1.42(2) . ?
C02A C5 1.30(3) . ?
C02A C22 1.45(2) . ?
C02B H02B 0.9300 . ?
C02B C02E 1.36(3) . ?
C02C H02C 0.9300 . ?
C02C C29 1.3900 . ?
C02C C01M 1.3900 . ?
C29 H29 0.9300 . ?
C29 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C02U 1.3900 . ?
C02U H02U 0.9300 . ?
C02U C01M 1.3900 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C13 1.34(3) . ?
C02G H02G 0.9300 . ?
C02G C17 1.44(2) . ?
C02I H02A 0.9600 . ?
C02I H02D 0.9600 . ?
C02I H02H 0.9600 . ?
C02K H02K 0.9300 . ?
C02K C02W 1.40(2) . ?
C02L H02I 0.9600 . ?
C02L H02J 0.9600 . ?
C02L H02L 0.9600 . ?
C02M H02M 0.9300 . ?
C02M C15 1.42(2) . ?
C02N H02N 0.9300 . ?
C02N C31 1.36(2) . ?
C02O H02O 0.9300 . ?
C02O C03F 1.36(3) . ?
C02P H02P 0.9300 . ?
C02P C24 1.35(2) . ?
C02Q H02Q 0.9300 . ?
C02Q C7 1.29(4) . ?
C02Q C22 1.39(4) . ?
C02R H02R 0.9300 . ?
C02R C28 1.39(2) . ?
C02S H02S 0.9300 . ?
C02S C03E 1.41(2) . ?
C02T H02T 0.9300 . ?
C02T C5 1.38(2) . ?
C02T C7 1.44(3) . ?
C02V C75 1.46(2) . ?
C02W H02W 0.9300 . ?
C02W C28 1.36(3) . ?
C02Y C9 1.3900 . ?
C02Y C030 1.3900 . ?
C9 H9 0.9300 . ?
C9 C16 1.3900 . ?
C16 H16 0.9300 . ?
C16 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C030 1.3900 . ?
C030 H030 0.9300 . ?
C02Z C1 1.53(2) . ?
C032 H03A 0.9600 . ?
C032 H03B 0.9600 . ?
C032 H03C 0.9600 . ?
C033 H033 0.9300 . ?
C034 H034 0.9300 . ?
C034 C143 1.32(3) . ?
C035 H035 0.9300 . ?
C035 C8 1.41(3) . ?
C036 H036 0.9300 . ?
C036 C03E 1.44(2) . ?
C037 C18 1.3900 . ?
C037 C30 1.3900 . ?
C18 H18 0.9300 . ?
C18 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C30 1.3900 . ?
C30 H30 0.9300 . ?
C039 H039 0.9300 . ?
C039 C35 1.47(3) . ?
C039 C34 1.35(3) . ?
C03D H03D 0.9300 . ?
C03D C24 1.36(3) . ?
C03E H03E 0.9300 . ?
C03F H03F 0.9300 . ?
C03F C15 1.39(3) . ?
C13 H13 0.9300 . ?
C13 C17 1.38(3) . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C24 H24 0.9300 . ?
C31 H31 0.9300 . ?
C31 C143 1.37(3) . ?
C143 H143 0.9300 . ?
C75 H75 0.9300 . ?
C75 C131 1.41(3) . ?
C8 H8 0.9300 . ?
C8 C131 1.35(3) . ?
C131 H131 0.9300 . ?
C5 H5 0.9300 . ?
C7 H7 0.9300 . ?
C22 H22 0.9300 . ?
C53 C2 1.3900 . ?
C53 C44 1.3900 . ?
C2 H2 0.9300 . ?
C2 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C45 1.3900 . ?
C45 H45 0.9300 . ?
C45 C44 1.3900 . ?
C44 H44 0.9300 . ?
C25 H25 0.9300 . ?
C25 C12 1.3900 . ?
C25 C48 1.3900 . ?
C12 H12 0.9300 . ?
C12 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C03A 1.3900 . ?
C03A H03G 0.9300 . ?
C03A C02H 1.3900 . ?
C02H C48 1.3900 . ?
C48 H48 0.9300 . ?
C35 H35 0.9300 . ?
C34 H34 0.9300 . ?
C28 H28 0.9300 . ?
C158 H158 0.9300 . ?
C158 C37 1.3900 . ?
C158 C14 1.3900 . ?
C37 H37 0.9300 . ?
C37 C02J 1.3900 . ?
C02J C038 1.3900 . ?
C038 H038 0.9300 . ?
C038 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C14 1.3900 . ?
C14 H14 0.9300 . ?
C159 H159 0.9300 . ?
C159 C36 1.404(18) . ?
C159 C55 1.445(18) . ?
C36 H36 0.9300 . ?
C36 C029 1.448(18) . ?
C029 H029 0.9300 . ?
C029 C26 1.402(18) . ?
C26 C11 1.422(18) . ?
C11 H11 0.9300 . ?
C11 C55 1.444(18) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C55 H55 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
Au01 Au01 Au04 133.701(16) 2_656 . ?
Au01 Au01 Au06 134.862(15) 2_656 . ?
Au02 Au01 Au01 111.74(2) . 2_656 ?
Au02 Au01 Au04 90.196(18) . . ?
Au02 Au01 Au06 60.837(17) . . ?
Au03 Au01 Au01 108.55(2) . 2_656 ?
Au03 Au01 Au02 139.712(19) . . ?
Au03 Au01 Au04 61.137(16) . . ?
Au03 Au01 Au06 90.261(18) . . ?
Au06 Au01 Au04 91.406(17) . . ?
C00K Au01 Au01 95.1(3) . 2_656 ?
C00K Au01 Au02 51.3(3) . . ?
C00K Au01 Au03 125.3(3) . . ?
C00K Au01 Au04 66.8(3) . . ?
C00K Au01 Au06 106.9(3) . . ?
C00K Au01 C00O 171.4(3) . . ?
C00O Au01 Au01 93.4(2) . 2_656 ?
C00O Au01 Au02 124.0(3) . . ?
C00O Au01 Au03 52.2(3) . . ?
C00O Au01 Au04 107.7(2) . . ?
C00O Au01 Au06 65.9(3) . . ?
Au01 Au02 Au05 90.485(18) . . ?
Au01 Au02 Au06 67.534(17) . . ?
Au01 Au02 Au0C 163.51(2) . . ?
Au06 Au02 Au05 89.029(19) . . ?
Au0C Au02 Au05 75.57(2) . . ?
Au0C Au02 Au06 102.89(2) . . ?
C00K Au02 Au01 52.0(3) . . ?
C00K Au02 Au05 68.8(3) . . ?
C00K Au02 Au06 113.7(3) . . ?
C00K Au02 Au0C 127.3(3) . . ?
C00N Au02 Au01 128.7(3) . . ?
C00N Au02 Au05 110.8(3) . . ?
C00N Au02 Au06 66.9(3) . . ?
C00N Au02 Au0C 51.9(3) . . ?
C00N Au02 C00K 179.2(5) . . ?
Au01 Au03 Au04 67.526(17) . . ?
Au01 Au03 Au07 90.296(18) . . ?
Au01 Au03 Au0B 161.47(2) . . ?
Au04 Au03 Au07 89.219(18) . . ?
Au0B Au03 Au04 102.01(2) . . ?
Au0B Au03 Au07 73.86(2) . . ?
C00O Au03 Au01 53.0(3) . . ?
C00O Au03 Au04 114.2(3) . . ?
C00O Au03 Au07 67.5(3) . . ?
C00O Au03 Au0B 125.4(3) . . ?
C00S Au03 Au01 129.0(3) . . ?
C00S Au03 Au04 67.0(3) . . ?
C00S Au03 Au07 110.8(3) . . ?
C00S Au03 Au0B 52.4(4) . . ?
C00S Au03 C00O 177.7(5) . . ?
Au03 Au04 Au01 51.336(14) . . ?
Au05 Au04 Au01 87.619(18) . . ?
Au05 Au04 Au03 129.07(3) . . ?
Au05 Au04 Au09 101.63(2) . . ?
Au05 Au04 Au0D 57.822(17) . . ?
Au09 Au04 Au01 113.13(3) . . ?
Au09 Au04 Au03 75.12(2) . . ?
Au09 Au04 Au0D 61.11(2) . . ?
Au0D Au04 Au01 139.49(2) . . ?
Au0D Au04 Au03 135.26(3) . . ?
C00L Au04 Au01 65.4(3) . . ?
C00L Au04 Au03 114.8(3) . . ?
C00L Au04 Au05 52.8(3) . . ?
C00L Au04 Au09 153.8(3) . . ?
C00L Au04 Au0D 102.0(3) . . ?
C00L Au04 C013 157.1(5) . . ?
C013 Au04 Au01 118.0(3) . . ?
C013 Au04 Au03 67.1(3) . . ?
C013 Au04 Au05 145.4(3) . . ?
C013 Au04 Au09 48.6(4) . . ?
C013 Au04 Au0D 88.9(3) . . ?
Au02 Au05 Au08 68.130(18) . . ?
Au04 Au05 Au02 91.550(18) . . ?
Au04 Au05 Au08 109.85(2) . . ?
Au04 Au05 Au0D 64.821(18) . . ?
Au0D Au05 Au02 149.75(3) . . ?
Au0D Au05 Au08 101.03(3) . . ?
C00L Au05 Au02 66.9(3) . . ?
C00L Au05 Au04 50.3(2) . . ?
C00L Au05 Au08 129.3(3) . . ?
C00L Au05 Au0D 106.0(3) . . ?
C00R Au05 Au02 119.3(4) . . ?
C00R Au05 Au04 132.5(3) . . ?
C00R Au05 Au08 59.4(5) . . ?
C00R Au05 Au0D 72.0(3) . . ?
C00R Au05 C00L 171.0(6) . . ?
Au02 Au06 Au01 51.628(14) . . ?
Au02 Au06 Au0E 134.97(3) . . ?
Au07 Au06 Au01 88.193(18) . . ?
Au07 Au06 Au02 130.06(3) . . ?
Au07 Au06 Au08 101.53(2) . . ?
Au07 Au06 Au0E 57.280(17) . . ?
Au08 Au06 Au01 113.77(3) . . ?
Au08 Au06 Au02 75.63(2) . . ?
Au08 Au06 Au0E 60.37(2) . . ?
Au0E Au06 Au01 139.18(2) . . ?
C012 Au06 Au01 118.4(4) . . ?
C012 Au06 Au02 67.2(4) . . ?
C012 Au06 Au07 145.1(3) . . ?
C012 Au06 Au08 48.7(3) . . ?
C012 Au06 Au0E 88.8(3) . . ?
C014 Au06 Au01 64.6(4) . . ?
C014 Au06 Au02 114.4(3) . . ?
C014 Au06 Au07 52.4(2) . . ?
C014 Au06 Au08 153.1(3) . . ?
C014 Au06 Au0E 102.2(3) . . ?
C014 Au06 C012 157.6(4) . . ?
Au03 Au07 Au09 67.358(18) . . ?
Au06 Au07 Au03 91.132(18) . . ?
Au06 Au07 Au09 109.32(2) . . ?
Au06 Au07 Au0E 66.540(19) . . ?
Au0E Au07 Au03 150.01(3) . . ?
Au0E Au07 Au09 100.19(2) . . ?
C00V Au07 Au03 119.5(4) . . ?
C00V Au07 Au06 131.9(3) . . ?
C00V Au07 Au09 59.9(4) . . ?
C00V Au07 Au0E 69.9(3) . . ?
C00V Au07 C014 172.5(6) . . ?
C014 Au07 Au03 65.4(4) . . ?
C014 Au07 Au06 50.8(3) . . ?
C014 Au07 Au09 127.2(4) . . ?
C014 Au07 Au0E 109.0(3) . . ?
Au06 Au08 Au05 90.79(2) . . ?
Au06 Au08 Au0A 93.95(2) . . ?
Au06 Au08 Au0C 97.004(18) . . ?
Au06 Au08 Au0E 64.19(2) . . ?
Au0A Au08 Au05 71.59(2) . . ?
Au0A Au08 Au0C 137.45(3) . . ?
Au0A Au08 Au0E 60.79(2) . . ?
Au0C Au08 Au05 67.280(19) . . ?
Au0E Au08 Au05 122.68(2) . . ?
Au0E Au08 Au0C 157.17(3) . . ?
C00Q Au08 Au05 64.7(4) . . ?
C00Q Au08 Au06 140.2(3) . . ?
C00Q Au08 Au0A 49.9(3) . . ?
C00Q Au08 Au0C 101.0(3) . . ?
C00Q Au08 Au0E 101.8(3) . . ?
C012 Au08 Au05 110.9(4) . . ?
C012 Au08 Au06 53.1(3) . . ?
C012 Au08 Au0A 146.4(3) . . ?
C012 Au08 Au0C 63.1(4) . . ?
C012 Au08 Au0E 94.3(4) . . ?
C012 Au08 C00Q 163.0(5) . . ?
Au04 Au09 Au07 91.44(2) . . ?
Au04 Au09 Au0A 94.03(2) . . ?
Au04 Au09 Au0B 98.270(19) . . ?
Au04 Au09 Au0D 62.76(2) . . ?
Au0A Au09 Au07 71.47(2) . . ?
Au0A Au09 Au0B 136.63(3) . . ?
Au0A Au09 Au0D 61.35(2) . . ?
Au0B Au09 Au07 66.82(2) . . ?
Au0D Au09 Au07 122.51(2) . . ?
Au0D Au09 Au0B 157.35(3) . . ?
C013 Au09 Au04 53.2(3) . . ?
C013 Au09 Au07 111.9(3) . . ?
C013 Au09 Au0A 146.5(3) . . ?
C013 Au09 Au0B 64.8(3) . . ?
C013 Au09 Au0D 93.0(3) . . ?
C013 Au09 C01I 163.2(5) . . ?
C01I Au09 Au04 140.4(3) . . ?
C01I Au09 Au07 64.5(4) . . ?
C01I Au09 Au0A 49.8(3) . . ?
C01I Au09 Au0B 99.9(4) . . ?
C01I Au09 Au0D 102.7(4) . . ?
Au08 Au0A Au0D 107.49(3) . . ?
Au08 Au0A Au0E 61.09(2) . . ?
Au09 Au0A Au08 124.85(2) . . ?
Au09 Au0A Au0D 60.81(2) . . ?
Au09 Au0A Au0E 107.80(3) . . ?
Au0E Au0A Au0D 157.26(2) . . ?
C00Q Au0A Au08 49.9(4) . . ?
C00Q Au0A Au09 137.9(4) . . ?
C00Q Au0A Au0D 80.4(4) . . ?
C00Q Au0A Au0E 102.1(4) . . ?
C01I Au0A Au08 137.7(4) . . ?
C01I Au0A Au09 49.4(4) . . ?
C01I Au0A Au0D 101.9(5) . . ?
C01I Au0A Au0E 80.3(5) . . ?
C01I Au0A C00Q 168.4(4) . . ?
Au03 Au0B Au09 73.962(18) . . ?
P00F Au0B Au03 144.82(11) . . ?
P00F Au0B Au09 128.05(9) . . ?
C00S Au0B Au03 50.3(3) . . ?
C00S Au0B Au09 65.7(3) . . ?
C00S Au0B P00F 156.8(3) . . ?
Au02 Au0C Au08 72.758(18) . . ?
P00G Au0C Au02 143.24(13) . . ?
P00G Au0C Au08 128.77(11) . . ?
C00N Au0C Au02 50.8(3) . . ?
C00N Au0C Au08 64.6(3) . . ?
C00N Au0C P00G 158.6(3) . . ?
Au05 Au0D Au04 57.357(16) . . ?
Au05 Au0D Au09 97.61(2) . . ?
Au05 Au0D Au0A 77.46(2) . . ?
Au09 Au0D Au04 56.133(17) . . ?
Au09 Au0D Au0A 57.85(2) . . ?
Au0A Au0D Au04 87.96(2) . . ?
P00I Au0D Au04 139.47(13) . . ?
P00I Au0D Au05 144.82(16) . . ?
P00I Au0D Au09 117.23(15) . . ?
P00I Au0D Au0A 124.21(17) . . ?
Au07 Au0E Au06 56.180(16) . . ?
Au07 Au0E Au08 96.96(2) . . ?
Au07 Au0E Au0A 77.76(3) . . ?
Au08 Au0E Au06 55.434(17) . . ?
Au0A Au0E Au06 87.17(2) . . ?
Au0A Au0E Au08 58.12(2) . . ?
P00H Au0E Au06 138.26(11) . . ?
P00H Au0E Au07 145.36(15) . . ?
P00H Au0E Au08 116.78(14) . . ?
P00H Au0E Au0A 125.74(15) . . ?
C017 P00F Au0B 113.2(6) . . ?
C017 P00F C018 104.4(7) . . ?
C018 P00F Au0B 108.0(5) . . ?
C01M P00F Au0B 114.4(3) . . ?
C01M P00F C017 108.0(7) . . ?
C01M P00F C018 108.3(8) . . ?
C01Z P00G Au0C 114.7(6) . . ?
C01Z P00G C02Y 104.7(6) . . ?
C01Z P00G C02H 108.8(8) . . ?
C02Y P00G Au0C 108.0(5) . . ?
C02Y P00G C02H 105.4(8) . . ?
C02H P00G Au0C 114.3(4) . . ?
C02V P00H Au0E 113.4(7) . . ?
C02V P00H C53 102.8(8) . . ?
C53 P00H Au0E 111.5(5) . . ?
C02J P00H Au0E 115.1(5) . . ?
C02J P00H C02V 103.5(8) . . ?
C02J P00H C53 109.5(9) . . ?
C02A P00I Au0D 108.6(8) . . ?
C02A P00I C26 103.7(10) . . ?
C037 P00I Au0D 115.0(6) . . ?
C037 P00I C02A 105.6(8) . . ?
C037 P00I C26 112.5(10) . . ?
C26 P00I Au0D 110.6(9) . . ?
Au02 C00K Au01 76.7(5) . . ?
C00L C00K Au01 111.6(7) . . ?
C00L C00K Au02 113.0(7) . . ?
C00L C00K C00M 118.1(12) . . ?
C00M C00K Au01 118.7(8) . . ?
C00M C00K Au02 111.7(8) . . ?
Au04 C00L Au05 76.9(3) . . ?
C00K C00L Au04 116.2(8) . . ?
C00K C00L Au05 111.2(8) . . ?
C00K C00L C00Y 120.3(10) . . ?
C00Y C00L Au04 112.5(8) . . ?
C00Y C00L Au05 111.6(7) . . ?
C00K C00M H00M 118.3 . . ?
C010 C00M C00K 123.5(12) . . ?
C010 C00M H00M 118.3 . . ?
Au02 C00N Au0C 77.3(4) . . ?
C012 C00N Au02 111.5(7) . . ?
C012 C00N Au0C 107.6(8) . . ?
C012 C00N C015 120.4(12) . . ?
C015 C00N Au02 121.7(8) . . ?
C015 C00N Au0C 108.3(9) . . ?
Au03 C00O Au01 74.8(4) . . ?
C00W C00O Au01 118.4(8) . . ?
C00W C00O Au03 109.3(8) . . ?
C014 C00O Au01 110.8(7) . . ?
C014 C00O Au03 111.8(7) . . ?
C014 C00O C00W 121.9(12) . . ?
C00W C00P C00T 119.0(12) . . ?
C00W C00P C01H 120.5(11) . . ?
C01H C00P C00T 120.5(13) . . ?
Au08 C00Q Au0A 80.3(4) . . ?
C00R C00Q Au08 100.6(8) . . ?
C00R C00Q Au0A 113.6(8) . . ?
C00R C00Q C01J 119.7(13) . . ?
C01J C00Q Au08 120.0(12) . . ?
C01J C00Q Au0A 115.6(9) . . ?
C00Q C00R Au05 119.7(9) . . ?
C00U C00R Au05 121.3(12) . . ?
C00U C00R C00Q 119.0(12) . . ?
Au03 C00S Au0B 77.4(5) . . ?
C00X C00S Au03 124.0(9) . . ?
C00X C00S Au0B 108.8(8) . . ?
C013 C00S Au03 112.5(8) . . ?
C013 C00S Au0B 106.3(9) . . ?
C013 C00S C00X 117.9(14) . . ?
C00P C00T H00A 109.5 . . ?
C00P C00T H00B 109.5 . . ?
C00P C00T H00C 109.5 . . ?
H00A C00T H00B 109.5 . . ?
H00A C00T H00C 109.5 . . ?
H00B C00T H00C 109.5 . . ?
C00R C00U H00U 119.9 . . ?
C01V C00U C00R 120.3(16) . . ?
C01V C00U H00U 119.9 . . ?
C01I C00V Au07 118.7(9) . . ?
C01I C00V C020 120.0(11) . . ?
C020 C00V Au07 121.2(11) . . ?
C00O C00W H00W 119.8 . . ?
C00P C00W C00O 120.3(12) . . ?
C00P C00W H00W 119.8 . . ?
C01C C00X C00S 122.7(12) . . ?
C01C C00X C01E 118.3(13) . . ?
C01E C00X C00S 119.0(14) . . ?
C00L C00Y C01T 118.8(13) . . ?
C01G C00Y C00L 121.6(12) . . ?
C01G C00Y C01T 119.3(14) . . ?
C01H C00Z C014 117.7(12) . . ?
C023 C00Z C014 119.6(11) . . ?
C023 C00Z C01H 122.5(14) . . ?
C00M C010 C011 122.8(13) . . ?
C00M C010 C01T 119.7(12) . . ?
C01T C010 C011 117.5(14) . . ?
C010 C011 H01A 109.5 . . ?
C010 C011 H01B 109.5 . . ?
C010 C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
Au08 C012 Au06 78.2(3) . . ?
C00N C012 Au06 104.1(7) . . ?
C00N C012 Au08 116.1(10) . . ?
C01P C012 Au06 106.8(10) . . ?
C01P C012 Au08 120.3(9) . . ?
C01P C012 C00N 119.5(11) . . ?
Au09 C013 Au04 78.2(4) . . ?
C00S C013 Au04 103.7(7) . . ?
C00S C013 Au09 114.4(11) . . ?
C01F C013 Au04 109.6(9) . . ?
C01F C013 Au09 121.2(9) . . ?
C01F C013 C00S 119.1(12) . . ?
Au06 C014 Au07 76.8(3) . . ?
C00O C014 Au06 118.5(9) . . ?
C00O C014 Au07 115.3(9) . . ?
C00O C014 C00Z 117.9(9) . . ?
C00Z C014 Au06 110.7(8) . . ?
C00Z C014 Au07 110.6(8) . . ?
C00N C015 C01B 120.8(14) . . ?
C016 C015 C00N 118.7(12) . . ?
C016 C015 C01B 120.4(12) . . ?
C015 C016 C01D 117.9(14) . . ?
C015 C016 C01X 122.1(12) . . ?
C01D C016 C01X 119.9(16) . . ?
C01L C017 P00F 116.9(12) . . ?
C02G C017 P00F 121.8(13) . . ?
C02G C017 C01L 121.4(15) . . ?
C025 C018 P00F 120.5(15) . . ?
C02M C018 P00F 118.3(14) . . ?
C02M C018 C025 121.2(16) . . ?
C01V C019 C01J 116.1(14) . . ?
C01V C019 C02K 122.8(16) . . ?
C02K C019 C01J 121.1(18) . . ?
C015 C01B H01D 120.9 . . ?
C02E C01B C015 118.3(16) . . ?
C02E C01B H01D 120.9 . . ?
C00X C01C C01O 118.1(13) . . ?
C00X C01C C022 118.6(14) . . ?
C022 C01C C01O 123.2(15) . . ?
C016 C01D H01E 120.0 . . ?
C02B C01D C016 119.9(17) . . ?
C02B C01D H01E 120.0 . . ?
C00X C01E H01F 118.7 . . ?
C01U C01E C00X 122.6(16) . . ?
C01U C01E H01F 118.7 . . ?
C013 C01F H01G 119.0 . . ?
C01O C01F C013 121.9(13) . . ?
C01O C01F H01G 119.0 . . ?
C00Y C01G H01H 120.3 . . ?
C03D C01G C00Y 119.3(16) . . ?
C03D C01G H01H 120.3 . . ?
C00P C01H C00Z 121.1(13) . . ?
C00P C01H C02S 122.4(12) . . ?
C02S C01H C00Z 116.4(13) . . ?
Au09 C01I Au0A 80.7(5) . . ?
C00V C01I Au09 103.3(8) . . ?
C00V C01I Au0A 112.7(9) . . ?
C00V C01I C01R 119.1(13) . . ?
C01R C01I Au09 119.7(14) . . ?
C01R C01I Au0A 114.9(9) . . ?
C00Q C01J C019 121.2(16) . . ?
C02R C01J C00Q 123.2(15) . . ?
C02R C01J C019 115.5(14) . . ?
C017 C01L H01L 121.5 . . ?
C017 C01L C02F 117.1(17) . . ?
C02F C01L H01L 121.5 . . ?
C01C C01O C02L 120.8(15) . . ?
C01F C01O C01C 120.1(15) . . ?
C01F C01O C02L 118.8(15) . . ?
C012 C01P H01P 118.0 . . ?
C012 C01P C01X 124.0(13) . . ?
C01X C01P H01P 118.0 . . ?
C01I C01R C026 118.3(16) . . ?
C024 C01R C01I 123.4(16) . . ?
C024 C01R C026 117.8(14) . . ?
C010 C01T C00Y 119.6(15) . . ?
C010 C01T C02P 122.7(15) . . ?
C02P C01T C00Y 117.6(15) . . ?
C01E C01U H01U 120.6 . . ?
C01E C01U C033 118.9(15) . . ?
C033 C01U H01U 120.6 . . ?
C00U C01V C032 117.9(17) . . ?
C019 C01V C00U 123.7(15) . . ?
C019 C01V C032 118.1(15) . . ?
C016 C01X C02I 121.9(13) . . ?
C01P C01X C016 114.8(15) . . ?
C01P C01X C02I 123.1(14) . . ?
C02V C01Y H01Y 120.2 . . ?
C02V C01Y C035 119.7(15) . . ?
C035 C01Y H01Y 120.2 . . ?
C021 C01Z P00G 118.5(12) . . ?
C021 C01Z C02N 114.7(17) . . ?
C02N C01Z P00G 126.8(15) . . ?
C00V C020 H020 117.2 . . ?
C02Z C020 C00V 125.6(18) . . ?
C02Z C020 H020 117.2 . . ?
C01Z C021 H021 119.0 . . ?
C01Z C021 C034 122.0(17) . . ?
C034 C021 H021 119.0 . . ?
C01C C022 H022 119.9 . . ?
C01C C022 C033 120.1(17) . . ?
C033 C022 H022 119.9 . . ?
C00Z C023 H023 120.6 . . ?
C036 C023 C00Z 118.8(13) . . ?
C036 C023 H023 120.6 . . ?
C01R C024 H024 117.6 . . ?
C01R C024 C34 124.8(19) . . ?
C34 C024 H024 117.6 . . ?
C018 C025 H025 120.4 . . ?
C02O C025 C018 119.2(19) . . ?
C02O C025 H025 120.4 . . ?
C01R C026 C02Z 121.1(13) . . ?
C35 C026 C01R 121(2) . . ?
C35 C026 C02Z 118.2(19) . . ?
C5 C02A P00I 120.4(12) . . ?
C5 C02A C22 123(2) . . ?
C22 C02A P00I 115(2) . . ?
C01D C02B H02B 119.7 . . ?
C02E C02B C01D 120.6(16) . . ?
C02E C02B H02B 119.7 . . ?
C29 C02C H02C 120.0 . . ?
C29 C02C C01M 120.0 . . ?
C01M C02C H02C 120.0 . . ?
C02C C29 H29 120.0 . . ?
C4 C29 C02C 120.0 . . ?
C4 C29 H29 120.0 . . ?
C29 C4 H4 120.0 . . ?
C29 C4 C27 120.0 . . ?
C27 C4 H4 120.0 . . ?
C4 C27 H27 120.0 . . ?
C4 C27 C02U 120.0 . . ?
C02U C27 H27 120.0 . . ?
C27 C02U H02U 120.0 . . ?
C01M C02U C27 120.0 . . ?
C01M C02U H02U 120.0 . . ?
C02C C01M P00F 118.7(6) . . ?
C02U C01M P00F 121.2(6) . . ?
C02U C01M C02C 120.0 . . ?
C01B C02E H02E 118.8 . . ?
C02B C02E C01B 122.5(15) . . ?
C02B C02E H02E 118.8 . . ?
C01L C02F H02F 118.1 . . ?
C13 C02F C01L 124(2) . . ?
C13 C02F H02F 118.1 . . ?
C017 C02G H02G 120.2 . . ?
C017 C02G C17 119.7(17) . . ?
C17 C02G H02G 120.2 . . ?
C01X C02I H02A 109.5 . . ?
C01X C02I H02D 109.5 . . ?
C01X C02I H02H 109.5 . . ?
H02A C02I H02D 109.5 . . ?
H02A C02I H02H 109.5 . . ?
H02D C02I H02H 109.5 . . ?
C019 C02K H02K 120.4 . . ?
C019 C02K C02W 119.1(18) . . ?
C02W C02K H02K 120.4 . . ?
C01O C02L H02I 109.5 . . ?
C01O C02L H02J 109.5 . . ?
C01O C02L H02L 109.5 . . ?
H02I C02L H02J 109.5 . . ?
H02I C02L H02L 109.5 . . ?
H02J C02L H02L 109.5 . . ?
C018 C02M H02M 122.1 . . ?
C018 C02M C15 116(2) . . ?
C15 C02M H02M 122.1 . . ?
C01Z C02N H02N 116.9 . . ?
C31 C02N C01Z 126(2) . . ?
C31 C02N H02N 116.9 . . ?
C025 C02O H02O 118.8 . . ?
C025 C02O C03F 122.3(19) . . ?
C03F C02O H02O 118.8 . . ?
C01T C02P H02P 120.8 . . ?
C24 C02P C01T 118.3(17) . . ?
C24 C02P H02P 120.8 . . ?
C7 C02Q H02Q 121.0 . . ?
C7 C02Q C22 118(2) . . ?
C22 C02Q H02Q 121.0 . . ?
C01J C02R H02R 118.3 . . ?
C28 C02R C01J 123.3(19) . . ?
C28 C02R H02R 118.3 . . ?
C01H C02S H02S 118.2 . . ?
C01H C02S C03E 123.7(15) . . ?
C03E C02S H02S 118.2 . . ?
C5 C02T H02T 122.6 . . ?
C5 C02T C7 115(2) . . ?
C7 C02T H02T 122.6 . . ?
C01Y C02V P00H 118.4(11) . . ?
C01Y C02V C75 121.6(16) . . ?
C75 C02V P00H 119.8(17) . . ?
C02K C02W H02W 119.5 . . ?
C28 C02W C02K 121.1(19) . . ?
C28 C02W H02W 119.5 . . ?
C9 C02Y P00G 122.2(9) . . ?
C9 C02Y C030 120.0 . . ?
C030 C02Y P00G 117.8(9) . . ?
C02Y C9 H9 120.0 . . ?
C16 C9 C02Y 120.0 . . ?
C16 C9 H9 120.0 . . ?
C9 C16 H16 120.0 . . ?
C9 C16 C21 120.0 . . ?
C21 C16 H16 120.0 . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C030 C20 C21 120.0 . . ?
C030 C20 H20 120.0 . . ?
C02Y C030 H030 120.0 . . ?
C20 C030 C02Y 120.0 . . ?
C20 C030 H030 120.0 . . ?
C020 C02Z C026 115.7(17) . . ?
C020 C02Z C1 122.5(19) . . ?
C026 C02Z C1 121.7(14) . . ?
C01V C032 H03A 109.5 . . ?
C01V C032 H03B 109.5 . . ?
C01V C032 H03C 109.5 . . ?
H03A C032 H03B 109.5 . . ?
H03A C032 H03C 109.5 . . ?
H03B C032 H03C 109.5 . . ?
C01U C033 C022 121.4(16) . . ?
C01U C033 H033 119.3 . . ?
C022 C033 H033 119.3 . . ?
C021 C034 H034 120.0 . . ?
C143 C034 C021 120(2) . . ?
C143 C034 H034 120.0 . . ?
C01Y C035 H035 120.6 . . ?
C8 C035 C01Y 118.7(18) . . ?
C8 C035 H035 120.6 . . ?
C023 C036 H036 118.6 . . ?
C023 C036 C03E 122.8(15) . . ?
C03E C036 H036 118.6 . . ?
C18 C037 P00I 120.0(10) . . ?
C18 C037 C30 120.0 . . ?
C30 C037 P00I 120.0(10) . . ?
C037 C18 H18 120.0 . . ?
C037 C18 C6 120.0 . . ?
C6 C18 H18 120.0 . . ?
C18 C6 H6 120.0 . . ?
C33 C6 C18 120.0 . . ?
C33 C6 H6 120.0 . . ?
C6 C33 H33 120.0 . . ?
C6 C33 C10 120.0 . . ?
C10 C33 H33 120.0 . . ?
C33 C10 H10 120.0 . . ?
C33 C10 C30 120.0 . . ?
C30 C10 H10 120.0 . . ?
C037 C30 H30 120.0 . . ?
C10 C30 C037 120.0 . . ?
C10 C30 H30 120.0 . . ?
C35 C039 H039 119.2 . . ?
C34 C039 H039 119.2 . . ?
C34 C039 C35 121.5(17) . . ?
C01G C03D H03D 119.5 . . ?
C01G C03D C24 120.9(17) . . ?
C24 C03D H03D 119.5 . . ?
C02S C03E C036 115.8(16) . . ?
C02S C03E H03E 122.1 . . ?
C036 C03E H03E 122.1 . . ?
C02O C03F H03F 120.9 . . ?
C02O C03F C15 118.2(17) . . ?
C15 C03F H03F 120.9 . . ?
C02F C13 H13 120.1 . . ?
C02F C13 C17 119.8(17) . . ?
C17 C13 H13 120.1 . . ?
C02M C15 H15 118.4 . . ?
C03F C15 C02M 123(2) . . ?
C03F C15 H15 118.4 . . ?
C02G C17 H17 120.9 . . ?
C13 C17 C02G 118.2(17) . . ?
C13 C17 H17 120.9 . . ?
C02P C24 C03D 124(2) . . ?
C02P C24 H24 117.9 . . ?
C03D C24 H24 117.9 . . ?
C02N C31 H31 121.4 . . ?
C02N C31 C143 117.3(17) . . ?
C143 C31 H31 121.4 . . ?
C034 C143 C31 119.3(19) . . ?
C034 C143 H143 120.4 . . ?
C31 C143 H143 120.4 . . ?
C02V C75 H75 123.2 . . ?
C131 C75 C02V 113.6(19) . . ?
C131 C75 H75 123.2 . . ?
C035 C8 H8 120.6 . . ?
C131 C8 C035 118.7(17) . . ?
C131 C8 H8 120.6 . . ?
C75 C131 H131 116.6 . . ?
C8 C131 C75 126.7(17) . . ?
C8 C131 H131 116.6 . . ?
C02A C5 C02T 120.3(18) . . ?
C02A C5 H5 119.8 . . ?
C02T C5 H5 119.8 . . ?
C02Q C7 C02T 126(2) . . ?
C02Q C7 H7 116.8 . . ?
C02T C7 H7 116.8 . . ?
C02A C22 H22 121.9 . . ?
C02Q C22 C02A 116(3) . . ?
C02Q C22 H22 121.9 . . ?
C2 C53 P00H 116.7(13) . . ?
C2 C53 C44 120.0 . . ?
C44 C53 P00H 123.3(13) . . ?
C53 C2 H2 120.0 . . ?
C32 C2 C53 120.0 . . ?
C32 C2 H2 120.0 . . ?
C2 C32 H32 120.0 . . ?
C3 C32 C2 120.0 . . ?
C3 C32 H32 120.0 . . ?
C32 C3 H3 120.0 . . ?
C32 C3 C45 120.0 . . ?
C45 C3 H3 120.0 . . ?
C3 C45 H45 120.0 . . ?
C3 C45 C44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C53 C44 H44 120.0 . . ?
C45 C44 C53 120.0 . . ?
C45 C44 H44 120.0 . . ?
C12 C25 H25 120.0 . . ?
C12 C25 C48 120.0 . . ?
C48 C25 H25 120.0 . . ?
C25 C12 H12 120.0 . . ?
C19 C12 C25 120.0 . . ?
C19 C12 H12 120.0 . . ?
C12 C19 H19 120.0 . . ?
C12 C19 C03A 120.0 . . ?
C03A C19 H19 120.0 . . ?
C19 C03A H03G 120.0 . . ?
C19 C03A C02H 120.0 . . ?
C02H C03A H03G 120.0 . . ?
C03A C02H P00G 115.7(8) . . ?
C48 C02H P00G 124.2(8) . . ?
C48 C02H C03A 120.0 . . ?
C25 C48 H48 120.0 . . ?
C02H C48 C25 120.0 . . ?
C02H C48 H48 120.0 . . ?
C026 C35 C039 116.2(19) . . ?
C026 C35 H35 121.9 . . ?
C039 C35 H35 121.9 . . ?
C024 C34 H34 120.8 . . ?
C039 C34 C024 118(2) . . ?
C039 C34 H34 120.8 . . ?
C02R C28 H28 120.6 . . ?
C02W C28 C02R 119(2) . . ?
C02W C28 H28 120.6 . . ?
C37 C158 H158 120.0 . . ?
C37 C158 C14 120.0 . . ?
C14 C158 H158 120.0 . . ?
C158 C37 H37 120.0 . . ?
C158 C37 C02J 120.0 . . ?
C02J C37 H37 120.0 . . ?
C37 C02J P00H 121.1(9) . . ?
C038 C02J P00H 118.9(9) . . ?
C038 C02J C37 120.0 . . ?
C02J C038 H038 120.0 . . ?
C23 C038 C02J 120.0 . . ?
C23 C038 H038 120.0 . . ?
C038 C23 H23 120.0 . . ?
C038 C23 C14 120.0 . . ?
C14 C23 H23 120.0 . . ?
C158 C14 H14 120.0 . . ?
C23 C14 C158 120.0 . . ?
C23 C14 H14 120.0 . . ?
C36 C159 H159 109.8 . . ?
C36 C159 C55 140(3) . . ?
C55 C159 H159 109.8 . . ?
C159 C36 H36 125.7 . . ?
C159 C36 C029 109(3) . . ?
C029 C36 H36 125.7 . . ?
C36 C029 H029 122.6 . . ?
C26 C029 C36 115(3) . . ?
C26 C029 H029 122.6 . . ?
C029 C26 P00I 111(2) . . ?
C029 C26 C11 131(3) . . ?
C11 C26 P00I 118(2) . . ?
C26 C11 H11 121.0 . . ?
C26 C11 C55 118(3) . . ?
C55 C11 H11 121.0 . . ?
C02Z C1 H1A 109.5 . . ?
C02Z C1 H1B 109.5 . . ?
C02Z C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C159 C55 H55 127.7 . . ?
C11 C55 C159 105(3) . . ?
C11 C55 H55 127.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au01 C00K C00L Au04 0.8(10) . . . . ?
Au01 C00K C00L Au05 -84.6(7) . . . . ?
Au01 C00K C00L C00Y 142.2(9) . . . . ?
Au01 C00K C00M C010 -140.1(10) . . . . ?
Au01 C00O C00W C00P -143.9(10) . . . . ?
Au01 C00O C014 Au06 4.2(10) . . . . ?
Au01 C00O C014 Au07 -84.0(7) . . . . ?
Au01 C00O C014 C00Z 142.3(8) . . . . ?
Au02 C00K C00L Au04 85.1(7) . . . . ?
Au02 C00K C00L Au05 -0.3(9) . . . . ?
Au02 C00K C00L C00Y -133.5(9) . . . . ?
Au02 C00K C00M C010 133.6(10) . . . . ?
Au02 C00N C012 Au06 -33.6(10) . . . . ?
Au02 C00N C012 Au08 50.0(10) . . . . ?
Au02 C00N C012 C01P -152.6(10) . . . . ?
Au02 C00N C015 C016 152.5(10) . . . . ?
Au02 C00N C015 C01B -29.1(17) . . . . ?
Au03 C00O C00W C00P 133.4(11) . . . . ?
Au03 C00O C014 Au06 85.6(8) . . . . ?
Au03 C00O C014 Au07 -2.6(10) . . . . ?
Au03 C00O C014 C00Z -136.3(9) . . . . ?
Au03 C00S C00X C01C 153.3(12) . . . . ?
Au03 C00S C00X C01E -28.4(18) . . . . ?
Au03 C00S C013 Au04 -32.7(11) . . . . ?
Au03 C00S C013 Au09 50.4(10) . . . . ?
Au03 C00S C013 C01F -154.9(10) . . . . ?
Au04 C00L C00Y C01G -41.3(14) . . . . ?
Au04 C00L C00Y C01T 144.6(9) . . . . ?
Au04 C013 C01F C01O -118.4(13) . . . . ?
Au05 C00L C00Y C01G 43.0(14) . . . . ?
Au05 C00L C00Y C01T -131.1(10) . . . . ?
Au05 C00R C00U C01V 177.7(11) . . . . ?
Au06 C012 C01P C01X -115.7(14) . . . . ?
Au07 C00V C01I Au09 -41.9(11) . . . . ?
Au07 C00V C01I Au0A 43.5(12) . . . . ?
Au07 C00V C01I C01R -177.5(11) . . . . ?
Au07 C00V C020 C02Z 179.9(12) . . . . ?
Au08 C00Q C00R Au05 -44.7(10) . . . . ?
Au08 C00Q C00R C00U 134.9(11) . . . . ?
Au08 C00Q C01J C019 -124.5(15) . . . . ?
Au08 C00Q C01J C02R 56(2) . . . . ?
Au08 C012 C01P C01X 158.4(11) . . . . ?
Au09 C013 C01F C01O 153.8(12) . . . . ?
Au09 C01I C01R C024 57(2) . . . . ?
Au09 C01I C01R C026 -131.7(15) . . . . ?
Au0A C00Q C00R Au05 39.2(12) . . . . ?
Au0A C00Q C00R C00U -141.2(10) . . . . ?
Au0A C00Q C01J C019 142.0(13) . . . . ?
Au0A C00Q C01J C02R -38(2) . . . . ?
Au0A C01I C01R C024 -37(2) . . . . ?
Au0A C01I C01R C026 134.8(13) . . . . ?
Au0B P00F C017 C01L 43.9(19) . . . . ?
Au0B P00F C017 C02G -135.3(16) . . . . ?
Au0B P00F C018 C025 -131.7(9) . . . . ?
Au0B P00F C018 C02M 46.8(12) . . . . ?
Au0B P00F C01M C02C 36.0(7) . . . . ?
Au0B P00F C01M C02U -145.7(5) . . . . ?
Au0B C00S C00X C01C -119.5(14) . . . . ?
Au0B C00S C00X C01E 58.8(14) . . . . ?
Au0B C00S C013 Au04 -115.5(6) . . . . ?
Au0B C00S C013 Au09 -32.4(9) . . . . ?
Au0B C00S C013 C01F 122.3(12) . . . . ?
Au0C P00G C01Z C021 30.4(18) . . . . ?
Au0C P00G C01Z C02N -149.1(18) . . . . ?
Au0C P00G C02Y C9 -137.5(6) . . . . ?
Au0C P00G C02Y C030 43.9(7) . . . . ?
Au0C P00G C02H C03A 30.7(9) . . . . ?
Au0C P00G C02H C48 -153.1(8) . . . . ?
Au0C C00N C012 Au06 -116.5(6) . . . . ?
Au0C C00N C012 Au08 -33.0(9) . . . . ?
Au0C C00N C012 C01P 124.5(11) . . . . ?
Au0C C00N C015 C016 -121.3(13) . . . . ?
Au0C C00N C015 C01B 57.0(13) . . . . ?
Au0D P00I C02A C5 -35(2) . . . . ?
Au0D P00I C02A C22 157.7(16) . . . . ?
Au0D P00I C037 C18 179.3(6) . . . . ?
Au0D P00I C037 C30 0.4(10) . . . . ?
Au0E P00H C02V C01Y -33.2(18) . . . . ?
Au0E P00H C02V C75 152.1(15) . . . . ?
Au0E P00H C53 C2 -60.8(9) . . . . ?
Au0E P00H C53 C44 117.5(8) . . . . ?
Au0E P00H C02J C37 169.5(7) . . . . ?
Au0E P00H C02J C038 -10.9(10) . . . . ?
P00F C017 C01L C02F -178.1(18) . . . . ?
P00F C017 C02G C17 177.0(17) . . . . ?
P00F C018 C025 C02O 177.8(11) . . . . ?
P00F C018 C02M C15 179.7(10) . . . . ?
P00G C01Z C021 C034 -178.3(16) . . . . ?
P00G C01Z C02N C31 -176(2) . . . . ?
P00G C02Y C9 C16 -178.5(8) . . . . ?
P00G C02Y C030 C20 178.6(8) . . . . ?
P00G C02H C48 C25 -176.1(12) . . . . ?
P00H C02V C75 C131 172.7(17) . . . . ?
P00H C53 C2 C32 178.4(9) . . . . ?
P00H C53 C44 C45 -178.3(10) . . . . ?
P00H C02J C038 C23 -179.6(12) . . . . ?
P00I C02A C5 C02T -174.3(16) . . . . ?
P00I C02A C22 C02Q 178.5(19) . . . . ?
P00I C037 C18 C6 -178.9(11) . . . . ?
P00I C037 C30 C10 178.9(11) . . . . ?
P00I C26 C11 C55 177(2) . . . . ?
C00K C00L C00Y C01G 176.0(11) . . . . ?
C00K C00L C00Y C01T 1.9(16) . . . . ?
C00K C00M C010 C011 -179.8(10) . . . . ?
C00K C00M C010 C01T -1.0(17) . . . . ?
C00L C00K C00M C010 0.0(15) . . . . ?
C00L C00Y C01G C03D -178.8(13) . . . . ?
C00L C00Y C01T C010 -2.8(17) . . . . ?
C00L C00Y C01T C02P -179.9(12) . . . . ?
C00M C00K C00L Au04 -141.9(8) . . . . ?
C00M C00K C00L Au05 132.7(8) . . . . ?
C00M C00K C00L C00Y -0.5(14) . . . . ?
C00M C010 C01T C00Y 2.3(17) . . . . ?
C00M C010 C01T C02P 179.3(12) . . . . ?
C00N C012 C01P C01X 2(2) . . . . ?
C00N C015 C016 C01D 177.1(14) . . . . ?
C00N C015 C016 C01X -7(2) . . . . ?
C00N C015 C01B C02E 177.3(13) . . . . ?
C00P C01H C02S C03E -179.4(15) . . . . ?
C00Q C00R C00U C01V -2(2) . . . . ?
C00Q C01J C02R C28 -178(2) . . . . ?
C00R C00Q C01J C019 0(2) . . . . ?
C00R C00Q C01J C02R -179.4(17) . . . . ?
C00R C00U C01V C019 1(2) . . . . ?
C00R C00U C01V C032 174.8(15) . . . . ?
C00S C00X C01C C01O -4(2) . . . . ?
C00S C00X C01C C022 -179.8(15) . . . . ?
C00S C00X C01E C01U -179.7(15) . . . . ?
C00S C013 C01F C01O 1(2) . . . . ?
C00T C00P C00W C00O 179.8(10) . . . . ?
C00T C00P C01H C00Z -176.2(12) . . . . ?
C00T C00P C01H C02S 0(2) . . . . ?
C00V C01I C01R C024 -175.1(18) . . . . ?
C00V C01I C01R C026 -3(2) . . . . ?
C00V C020 C02Z C026 -1(2) . . . . ?
C00V C020 C02Z C1 176.5(16) . . . . ?
C00W C00O C014 Au06 -142.6(9) . . . . ?
C00W C00O C014 Au07 129.2(9) . . . . ?
C00W C00O C014 C00Z -4.5(15) . . . . ?
C00W C00P C01H C00Z 3.3(19) . . . . ?
C00W C00P C01H C02S 179.4(13) . . . . ?
C00X C00S C013 Au04 122.1(10) . . . . ?
C00X C00S C013 Au09 -154.8(9) . . . . ?
C00X C00S C013 C01F 0.0(18) . . . . ?
C00X C01C C01O C01F 4(2) . . . . ?
C00X C01C C01O C02L 178.9(16) . . . . ?
C00X C01C C022 C033 -1(3) . . . . ?
C00X C01E C01U C033 0(3) . . . . ?
C00Y C01G C03D C24 3(3) . . . . ?
C00Y C01T C02P C24 -5(2) . . . . ?
C00Z C01H C02S C03E -3(2) . . . . ?
C00Z C023 C036 C03E -1(3) . . . . ?
C010 C01T C02P C24 178.1(14) . . . . ?
C011 C010 C01T C00Y -178.7(11) . . . . ?
C011 C010 C01T C02P -1.7(18) . . . . ?
C012 C00N C015 C016 3.0(18) . . . . ?
C012 C00N C015 C01B -178.7(12) . . . . ?
C012 C01P C01X C016 -6(2) . . . . ?
C012 C01P C01X C02I 179.7(16) . . . . ?
C013 C00S C00X C01C 2(2) . . . . ?
C013 C00S C00X C01E 179.9(12) . . . . ?
C013 C01F C01O C01C -3(2) . . . . ?
C013 C01F C01O C02L -177.6(16) . . . . ?
C014 C00O C00W C00P 0.5(17) . . . . ?
C014 C00Z C01H C00P -7.2(18) . . . . ?
C014 C00Z C01H C02S 176.5(12) . . . . ?
C014 C00Z C023 C036 -174.3(13) . . . . ?
C015 C00N C012 Au06 118.8(10) . . . . ?
C015 C00N C012 Au08 -157.6(9) . . . . ?
C015 C00N C012 C01P -0.2(18) . . . . ?
C015 C016 C01D C02B 5(3) . . . . ?
C015 C016 C01X C01P 9(2) . . . . ?
C015 C016 C01X C02I -176.8(16) . . . . ?
C015 C01B C02E C02B 7(3) . . . . ?
C016 C015 C01B C02E -4(2) . . . . ?
C016 C01D C02B C02E -3(3) . . . . ?
C017 P00F C018 C025 107.7(12) . . . . ?
C017 P00F C018 C02M -73.9(13) . . . . ?
C017 P00F C01M C02C 163.0(7) . . . . ?
C017 P00F C01M C02U -18.8(9) . . . . ?
C017 C01L C02F C13 -1(4) . . . . ?
C017 C02G C17 C13 3(4) . . . . ?
C018 P00F C017 C01L 161.1(17) . . . . ?
C018 P00F C017 C02G -18(2) . . . . ?
C018 P00F C01M C02C -84.5(7) . . . . ?
C018 P00F C01M C02U 93.8(8) . . . . ?
C018 C025 C02O C03F 4(2) . . . . ?
C018 C02M C15 C03F 1(2) . . . . ?
C019 C01J C02R C28 3(3) . . . . ?
C019 C02K C02W C28 13(3) . . . . ?
C01B C015 C016 C01D -1(2) . . . . ?
C01B C015 C016 C01X 174.2(13) . . . . ?
C01C C00X C01E C01U -1(2) . . . . ?
C01C C022 C033 C01U 0(3) . . . . ?
C01D C016 C01X C01P -175.9(14) . . . . ?
C01D C016 C01X C02I -1(2) . . . . ?
C01D C02B C02E C01B -3(3) . . . . ?
C01E C00X C01C C01O 178.0(14) . . . . ?
C01E C00X C01C C022 2(2) . . . . ?
C01E C01U C033 C022 1(3) . . . . ?
C01G C00Y C01T C010 -177.1(11) . . . . ?
C01G C00Y C01T C02P 5.8(19) . . . . ?
C01G C03D C24 C02P -2(3) . . . . ?
C01H C00P C00W C00O 0.3(18) . . . . ?
C01H C00Z C014 Au06 148.8(9) . . . . ?
C01H C00Z C014 Au07 -128.0(10) . . . . ?
C01H C00Z C014 C00O 7.7(16) . . . . ?
C01H C00Z C023 C036 0(2) . . . . ?
C01H C02S C03E C036 2(3) . . . . ?
C01I C00V C020 C02Z -2(2) . . . . ?
C01I C01R C024 C34 -178(2) . . . . ?
C01I C01R C026 C02Z 1(3) . . . . ?
C01I C01R C026 C35 -178.0(17) . . . . ?
C01J C00Q C00R Au05 -178.5(11) . . . . ?
C01J C00Q C00R C00U 1(2) . . . . ?
C01J C019 C01V C00U 0(2) . . . . ?
C01J C019 C01V C032 -173.2(16) . . . . ?
C01J C019 C02K C02W -6(3) . . . . ?
C01J C02R C28 C02W 3(4) . . . . ?
C01L C017 C02G C17 -2(3) . . . . ?
C01L C02F C13 C17 3(4) . . . . ?
C01O C01C C022 C033 -177.2(18) . . . . ?
C01R C024 C34 C039 -7(4) . . . . ?
C01R C026 C02Z C020 2(3) . . . . ?
C01R C026 C02Z C1 -176.1(17) . . . . ?
C01R C026 C35 C039 -1(3) . . . . ?
C01T C00Y C01G C03D -5(2) . . . . ?
C01T C02P C24 C03D 3(3) . . . . ?
C01V C019 C01J C00Q -1(2) . . . . ?
C01V C019 C01J C02R 178.6(17) . . . . ?
C01V C019 C02K C02W 174.0(17) . . . . ?
C01X C016 C01D C02B -170.3(18) . . . . ?
C01Y C02V C75 C131 -2(3) . . . . ?
C01Y C035 C8 C131 -5(4) . . . . ?
C01Z P00G C02Y C9 99.9(9) . . . . ?
C01Z P00G C02Y C030 -78.7(9) . . . . ?
C01Z P00G C02H C03A 160.3(8) . . . . ?
C01Z P00G C02H C48 -23.4(11) . . . . ?
C01Z C021 C034 C143 -3(3) . . . . ?
C01Z C02N C31 C143 -8(4) . . . . ?
C020 C00V C01I Au09 139.5(11) . . . . ?
C020 C00V C01I Au0A -135.1(11) . . . . ?
C020 C00V C01I C01R 4(2) . . . . ?
C021 C01Z C02N C31 5(4) . . . . ?
C021 C034 C143 C31 -1(4) . . . . ?
C022 C01C C01O C01F -179.8(16) . . . . ?
C022 C01C C01O C02L -5(3) . . . . ?
C023 C00Z C014 Au06 -36.6(14) . . . . ?
C023 C00Z C014 Au07 46.5(14) . . . . ?
C023 C00Z C014 C00O -177.8(11) . . . . ?
C023 C00Z C01H C00P 178.4(12) . . . . ?
C023 C00Z C01H C02S 2(2) . . . . ?
C023 C036 C03E C02S 0(3) . . . . ?
C024 C01R C026 C02Z 172.8(18) . . . . ?
C024 C01R C026 C35 -6(3) . . . . ?
C025 C018 C02M C15 -2(2) . . . . ?
C025 C02O C03F C15 -4(3) . . . . ?
C026 C01R C024 C34 10(3) . . . . ?
C02A P00I C037 C18 59.6(10) . . . . ?
C02A P00I C037 C30 -119.3(10) . . . . ?
C02C C29 C4 C27 0.0 . . . . ?
C29 C02C C01M P00F 178.3(8) . . . . ?
C29 C02C C01M C02U 0.0 . . . . ?
C29 C4 C27 C02U 0.0 . . . . ?
C4 C27 C02U C01M 0.0 . . . . ?
C27 C02U C01M P00F -178.3(9) . . . . ?
C27 C02U C01M C02C 0.0 . . . . ?
C01M P00F C017 C01L -83.8(18) . . . . ?
C01M P00F C017 C02G 97.0(18) . . . . ?
C01M P00F C018 C025 -7.2(12) . . . . ?
C01M P00F C018 C02M 171.2(10) . . . . ?
C01M C02C C29 C4 0.0 . . . . ?
C02F C13 C17 C02G -4(4) . . . . ?
C02G C017 C01L C02F 1(3) . . . . ?
C02K C019 C01J C00Q 179.3(15) . . . . ?
C02K C019 C01J C02R -1(2) . . . . ?
C02K C019 C01V C00U 180.0(15) . . . . ?
C02K C019 C01V C032 6(3) . . . . ?
C02K C02W C28 C02R -11(4) . . . . ?
C02M C018 C025 C02O -1(2) . . . . ?
C02N C01Z C021 C034 1(3) . . . . ?
C02N C31 C143 C034 6(4) . . . . ?
C02O C03F C15 C02M 2(3) . . . . ?
C02V P00H C53 C2 61.0(10) . . . . ?
C02V P00H C53 C44 -120.7(10) . . . . ?
C02V P00H C02J C37 45.2(11) . . . . ?
C02V P00H C02J C038 -135.2(10) . . . . ?
C02V C01Y C035 C8 10(4) . . . . ?
C02V C75 C131 C8 8(4) . . . . ?
C02Y P00G C01Z C021 148.6(16) . . . . ?
C02Y P00G C01Z C02N -31(2) . . . . ?
C02Y P00G C02H C03A -87.8(8) . . . . ?
C02Y P00G C02H C48 88.4(10) . . . . ?
C02Y C9 C16 C21 0.0 . . . . ?
C9 C02Y C030 C20 0.0 . . . . ?
C9 C16 C21 C20 0.0 . . . . ?
C16 C21 C20 C030 0.0 . . . . ?
C21 C20 C030 C02Y 0.0 . . . . ?
C030 C02Y C9 C16 0.0 . . . . ?
C02Z C026 C35 C039 -179.6(17) . . . . ?
C035 C01Y C02V P00H 178.5(18) . . . . ?
C035 C01Y C02V C75 -7(3) . . . . ?
C035 C8 C131 C75 -5(4) . . . . ?
C037 P00I C02A C5 89(2) . . . . ?
C037 P00I C02A C22 -78.5(18) . . . . ?
C037 C18 C6 C33 0.0 . . . . ?
C18 C037 C30 C10 0.0 . . . . ?
C18 C6 C33 C10 0.0 . . . . ?
C6 C33 C10 C30 0.0 . . . . ?
C33 C10 C30 C037 0.0 . . . . ?
C30 C037 C18 C6 0.0 . . . . ?
C5 C02A C22 C02Q 12(4) . . . . ?
C5 C02T C7 C02Q -3(4) . . . . ?
C7 C02Q C22 C02A -10(4) . . . . ?
C7 C02T C5 C02A 3(3) . . . . ?
C22 C02A C5 C02T -8(4) . . . . ?
C22 C02Q C7 C02T 7(5) . . . . ?
C53 P00H C02V C01Y -153.7(16) . . . . ?
C53 P00H C02V C75 31.6(19) . . . . ?
C53 P00H C02J C37 -63.9(10) . . . . ?
C53 P00H C02J C038 115.7(9) . . . . ?
C53 C2 C32 C3 0.0 . . . . ?
C2 C53 C44 C45 0.0 . . . . ?
C2 C32 C3 C45 0.0 . . . . ?
C32 C3 C45 C44 0.0 . . . . ?
C3 C45 C44 C53 0.0 . . . . ?
C44 C53 C2 C32 0.0 . . . . ?
C25 C12 C19 C03A 0.0 . . . . ?
C12 C25 C48 C02H 0.0 . . . . ?
C12 C19 C03A C02H 0.0 . . . . ?
C19 C03A C02H P00G 176.4(11) . . . . ?
C19 C03A C02H C48 0.0 . . . . ?
C03A C02H C48 C25 0.0 . . . . ?
C02H P00G C01Z C021 -99.1(17) . . . . ?
C02H P00G C01Z C02N 81(2) . . . . ?
C02H P00G C02Y C9 -14.9(8) . . . . ?
C02H P00G C02Y C030 166.6(7) . . . . ?
C48 C25 C12 C19 0.0 . . . . ?
C35 C026 C02Z C020 -179.7(17) . . . . ?
C35 C026 C02Z C1 3(3) . . . . ?
C35 C039 C34 C024 -1(3) . . . . ?
C34 C039 C35 C026 4(3) . . . . ?
C158 C37 C02J P00H 179.6(12) . . . . ?
C158 C37 C02J C038 0.0 . . . . ?
C37 C158 C14 C23 0.0 . . . . ?
C37 C02J C038 C23 0.0 . . . . ?
C02J P00H C02V C01Y 92.3(17) . . . . ?
C02J P00H C02V C75 -82.5(17) . . . . ?
C02J P00H C53 C2 170.6(8) . . . . ?
C02J P00H C53 C44 -11.1(10) . . . . ?
C02J C038 C23 C14 0.0 . . . . ?
C038 C23 C14 C158 0.0 . . . . ?
C14 C158 C37 C02J 0.0 . . . . ?
C159 C36 C029 C26 -7(4) . . . . ?
C36 C159 C55 C11 -20(7) . . . . ?
C36 C029 C26 P00I -177(2) . . . . ?
C36 C029 C26 C11 0(5) . . . . ?
C029 C26 C11 C55 -1(6) . . . . ?
C26 P00I C02A C5 -152.7(19) . . . . ?
C26 P00I C02A C22 40(2) . . . . ?
C26 P00I C037 C18 -52.8(12) . . . . ?
C26 P00I C037 C30 128.3(12) . . . . ?
C26 C11 C55 C159 7(4) . . . . ?
C55 C159 C36 C029 20(7) . . . . ?

_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 -0.125 -0.206 -0.794 15982.2 4534.0 '96 CH3CH2OCH2CH3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.996
_oxdiff_exptl_absorpt_empirical_full_min 0.660

# start Validation Reply Form
_vrf_PLAT230_au28                
;
PROBLEM: Hirshfeld Test Diff for    P00H     --C53      .        7.2 s.u.  
RESPONSE: Due to the twinned nature of the crystal, the P00H-C53 bond 
of triphenylphosphine ligand is highly disordered.
;
_vrf_PLAT234_au28                
;
PROBLEM: Large Hirshfeld Difference C18      --C037     .       0.26 Ang.  
RESPONSE: These atoms belong to a disordered triphenylphosphine moiety 
which shows large thermal vibration. 
;
_vrf_PLAT241_au28                
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C10 Check 
         High   'MainMol' Ueq as Compared to Neighbors of        C28 Check 
RESPONSE: The atom C10 is on the Ph group of disordered triphenylphosphine 
moiety and is likely to display a elongated characteristic of its thermal motion.
          The atom C28 is on the disordered methylnaphthalene moiety and 
is likely to display a elongated characteristic of its thermal motion.
;
_vrf_PLAT342_au28                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02587 Ang.  
RESPONSE: This alert results from moderate diffracting crystal and
quality of the data.
;
_vrf_PLAT934_au28                
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          8 Check 
RESPONSE: This is due to the limited data quality. 
The Au28 crystal is a very thin sheet.
;
_vrf_PLAT972_au28                
;
PROBLEM: Check Calcd Resid. Dens.  1.06Ang From Au04           -3.30 eA-3 
         Check Calcd Resid. Dens.  1.21Ang From Au01           -3.24 eA-3  
         Check Calcd Resid. Dens.  0.95Ang From Au01           -3.23 eA-3  
         Check Calcd Resid. Dens.  0.83Ang From Au05           -3.02 eA-3  
         Check Calcd Resid. Dens.  0.86Ang From Au02           -2.93 eA-3  
         Check Calcd Resid. Dens.  1.06Ang From Au03           -2.89 eA-3  
         Check Calcd Resid. Dens.  0.85Ang From Au0B           -2.57 eA-3  
RESPONSE: It is common for residual density to remain near heavy atoms, 
due to fourier termination ripples. These are a small fraction of the 
total number of electrons.
;
_vrf_PLAT973_au28                
;
PROBLEM: Check Calcd Positive Resid. Density on      Au05       1.54 eA-3  
RESPONSE: Au05 is a heavy atom and this alert is often found for molecules
of this type.
;
# 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_20211116-lq-r239
_database_code_depnum_ccdc_archive 'CCDC 2286454'
loop_
_audit_author_name
_audit_author_address
'Qian Liu'
;Tsinghua University
China
;
_audit_update_record             
;
2024-02-06 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_audit_creation_date             2023-08-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C186 H135 Au14 P5, 2(C2 F6 N O4 S2)'
_chemical_formula_sum            'C190 H135 Au14 F12 N2 O8 P5 S4'
_chemical_formula_weight         5842.61
_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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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                   16.0520(4)
_cell_length_b                   18.4672(5)
_cell_length_c                   33.1755(8)
_cell_angle_alpha                84.197(2)
_cell_angle_beta                 78.827(2)
_cell_angle_gamma                76.291(2)
_cell_volume                     9357.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28456
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.0260
_cell_measurement_theta_min      3.7290
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.412
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.78a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    2.074
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5412
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0881
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.945
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            151922
_diffrn_reflns_point_group_measured_fraction_full 0.945
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        66.737
_diffrn_reflns_theta_max         66.737
_diffrn_reflns_theta_min         3.566
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00 -10.00   0.50    0.50    --   43.00  18.00-180.00   70
  2  ω     33.00 132.00   0.50    0.50    --   43.00  55.00  90.00  198
  3  ω     52.00 132.00   0.50    0.50    --   43.00  55.00   0.00  160
  4  ω     58.00  85.00   0.50    0.50    --   43.00  18.00-180.00   54
  5  ω     59.00 132.00   0.50    0.50    --   43.00  55.00 150.00  146
  6  ω     55.00 132.00   0.50    0.50    --   43.00  55.00-150.00  154
  7  ω     65.00 132.00   0.50    0.50    --   43.00  55.00 -60.00  134
  8  ω    -45.00   1.00   0.50    0.50    --   43.00  55.00-150.00   92
  9  ω      7.00  33.00   0.50    1.13    --   90.00  46.00 120.00   52
 10  ω     13.00  44.00   0.50    1.13    --   90.00  28.00 150.00   62
 11  ω      2.00  83.00   0.50    1.13    --   90.00  46.00 -90.00  162
 12  ω    140.00 178.00   0.50    1.13    --   90.00  46.00 -90.00   76
 13  ω      2.00  81.00   0.50    1.13    --   90.00  46.00  60.00  158
 14  ω     97.00 174.00   0.50    1.13    --   90.00  46.00  60.00  154
 15  ω     23.00  50.00   0.50    1.13    --   90.00  46.00  30.00   54
 16  ω     98.00 166.00   0.50    1.13    --   90.00  46.00  90.00  136
 17  ω    130.00 178.00   0.50    1.13    --   90.00  46.00 150.00   96
 18  ω    123.00 163.00   0.50    1.13    --   90.00  46.00 -60.00   80
 19  ω    100.00 178.00   0.50    1.13    --   90.00  46.00-150.00  156
 20  ω     39.00  78.00   0.50    1.13    --   90.00  46.00  90.00   78
 21  ω     66.00  95.00   0.50    1.13    --   90.00  28.00-180.00   58
 22  ω     77.00 103.00   0.50    1.13    --   90.00  46.00 150.00   52
 23  ω    106.00 131.00   0.50    1.13    --   90.00   9.00-150.00   50
 24  ω     50.00 135.00   0.50    1.13    --   90.00  28.00 150.00  170
 25  ω      7.00  42.00   0.50    1.13    --   90.00  18.00 -30.00   70
 26  ω     57.00  82.00   0.50    1.13    --   90.00  18.00 -30.00   50
 27  ω    128.00 179.00   0.50    1.13    --   90.00  18.00 -30.00  102
 28  ω    108.00 134.00   0.50    1.13    --   90.00  46.00-120.00   52
 29  ω    143.00 178.00   0.50    1.13    --   90.00  46.00-120.00   70
 30  ω     61.00  97.00   0.50    1.13    --   90.00  46.00   0.00   72
 31  ω    118.00 176.00   0.50    1.13    --   90.00  46.00 -30.00  116
 32  ω     22.00  60.00   0.50    1.13    --   90.00  46.00 -60.00   76
 33  ω      2.00  83.00   0.50    1.13    --   90.00  37.00-150.00  162
 34  ω     81.00 106.00   0.50    1.13    --   90.00  46.00 -30.00   50
 35  ω     99.00 179.00   0.50    1.13    --   90.00  37.00-150.00  160
 36  ω     28.00  54.00   0.50    1.13    --   90.00  18.00-180.00   52
 37  ω     94.00 125.00   0.50    1.13    --   90.00  18.00-180.00   62
 38  ω    140.00 165.00   0.50    1.13    --   90.00  46.00-180.00   50
 39  ω    102.00 134.00   0.50    1.13    --   90.00  18.00   0.00   64
 40  ω    148.00 175.00   0.50    1.13    --   90.00  18.00   0.00   54
 41  ω     97.00 133.00   0.50    1.13    --   90.00  37.00   0.00   72
 42  ω     12.00 176.00   0.50    1.13    --   90.00  37.00 120.00  328
 43  ω    136.00 164.00   0.50    1.13    --   90.00  46.00   0.00   56
 44  ω    100.00 125.00   0.50    1.13    --   90.00  28.00-180.00   50
 45  ω     11.00  42.00   0.50    1.13    --   90.00  46.00 -30.00   62
 46  ω    146.00 179.00   0.50    1.13    --   90.00  46.00 120.00   66
 47  ω    115.00 176.00   0.50    1.13    --   90.00  46.00  30.00  122
 48  ω     77.00 147.00   0.50    1.13    --   90.00  18.00-150.00  140
 49  ω    153.00 178.00   0.50    1.13    --   90.00   9.00-150.00   50
 50  ω    135.00 160.00   0.50    1.13    --   90.00  28.00-120.00   50
 51  ω    154.00 179.00   0.50    1.13    --   90.00  37.00 -60.00   50
 52  ω     89.00 114.00   0.50    1.13    --   90.00  37.00 150.00   50
 53  ω     20.00  45.00   0.50    1.13    --   90.00   0.00-150.00   50
 54  ω    126.00 151.00   0.50    1.13    --   90.00   0.00-150.00   50
 55  ω     75.00 179.00   0.50    1.13    --   90.00  28.00 -90.00  208
 56  ω    141.00 166.00   0.50    1.13    --   90.00  37.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23694
_reflns_number_total             31332
_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       'CrysAlisPro 1.171.40.78a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.78a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.78a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         4.145
_refine_diff_density_min         -2.735
_refine_diff_density_rms         0.223
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2114
_refine_ls_number_reflns         31332
_refine_ls_number_restraints     567
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0657
_refine_ls_restrained_S_all      1.031
_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)+(0.1005P)²+80.1442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
_refine_ls_wR_factor_ref         0.1842
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 N16-S1
 1.54 with sigma of 0.02
 S1-O38
 1.45 with sigma of 0.02
 N16-S2
 1.54 with sigma of 0.02
 S2-O8
 1.45 with sigma of 0.02
 S1-C2
 1.878 with sigma of 0.02
 S1-O11
 1.45 with sigma of 0.02
 C2-F47
 1.38 with sigma of 0.02
 C2-F19
 1.38 with sigma of 0.02
 C2-F17
 1.38 with sigma of 0.02
 S2-O13
 1.45 with sigma of 0.02
 C3-S2
 1.85 with sigma of 0.02
 C3-F59
 1.35 with sigma of 0.02
 C3-F1
 1.35 with sigma of 0.02
 C3-F60
 1.35 with sigma of 0.02
 F60-C3 = C3-F1
 1.35 with sigma of 0.02
 F59-C3 = C3-F1
 1.35 with sigma of 0.02
 F59-C3 = C3-F60
 1.35 with sigma of 0.02
 S2-F59
 2.6 with sigma of 0.02
 S2-F60
 2.6 with sigma of 0.02
 S2-F1
 2.6 with sigma of 0.02
 F59-F1
 2.277 with sigma of 0.04
 F59-F60
 2.277 with sigma of 0.04
 F60-F1
 2.277 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C03G \\sim C04H \\sim C057 \\sim C1 \\sim C25 \\sim C05G: within 2A with sigma
of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(F1) \\sim Ueq, Uanis(S1) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O38)
\\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(N16) \\sim Ueq, Uanis(F17) \\sim Ueq,
Uanis(F19) \\sim Ueq, Uanis(F47) \\sim Ueq, Uanis(S2) \\sim Ueq, Uanis(O8)
\\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(F59) \\sim Ueq,
Uanis(F60) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C02X) \\sim Ueq, Uanis(C04O) \\sim Ueq, Uanis(C04W) \\sim Ueq, Uanis(C12)
\\sim Ueq, Uanis(C05J) \\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(F01X) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Au2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C38, C04M, C036, C04Z, C31, C24, C01J, C01W, C00Z, C00N, C018, C01G, C02C,
 C03T, C052, C026
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C05M, C53, C41, C049, C03S, C37, C01O, C016, C01C, C00O, C00P, C011, C032,
 C03F, C02M, C01K
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F60, S1, O11, O38, C2, N16, F17, F19, F47, S2, O8, O13, C3, F1, F59
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Au2
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(Au)=1-FVAR(1)
 Sof(Au1)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C00U(H00U), C012(H012), C014(H014), C015(H015), C016(H016), C017(H017),
 C01G(H01G), C01H(H01H), C01K(H01K), C01L(H01L), C01M(H01M), C01U(H01U),
 C021(H021), C024(H024), C025(H025), C026(H026), C027(H027), C02A(H02A),
 C02B(H02B), C02C(H02C), C02E(H02E), C02F(H02F), C02H(H02H), C02J(H02J),
 C02M(H02M), C02Q(H02Q), C02S(H02S), C02T(H02T), C02U(H02U), C02V(H02V),
 C02W(H02W), C02Y(H02Y), C02Z(H02Z), C030(H030), C032(H032), C034(H034),
 C035(H035), C039(H039), C03A(H03A), C03B(H03B), C03C(H03C), C03D(H03D),
 C03E(H03E), C03F(H03F), C03H(H03H), C03I(H03I), C03J(H03J), C03K(H03K),
 C03L(H03L), C03M(H03M), C03O(H03O), C03P(H03P), C03Q(H03Q), C03T(H03T),
 C03V(H03V), C03W(H03W), C03X(H03X), C03Y(H03Y), C03Z(H03Z), C040(H040),
 C041(H041), C042(H042), C043(H043), C044(H044), C045(H045), C046(H046),
 C047(H047), C048(H048), C049(H049), C04A(H04A), C04C(H04C), C04E(H04E),
 C04F(H04F), C04G(H04G), C04H(H04H), C04I(H04I), C04J(H04J), C04K(H04K),
 C04L(H04L), C04M(H04M), C04N(H04N), C04O(H04O), C04P(H04P), C04Q(H04Q),
 C04S(H04S), C04U(H04U), C04W(H04W), C04X(H04X), C04Y(H04Y), C04Z(H04Z),
 C050(H050), C051(H051), C052(H052), C053(H053), C054(H054), C055(H055),
 C056(H056), C057(H057), C058(H058), C059(H059), C05A(H05A), C05B(H05B),
 C05C(H05C), C05F(H05F), C05G(H05G), C05H(H05H), C05I(H05I), C05J(H05J),
 C05L(H05L), C05M(H05M), C05N(H05N), C05O(H05O), C37(H37), C41(H41), C48(H48),
 C04V(H04V), C04R(H04R), C033(H033), C34(H34), C53(H53), C6(H6), C1(H1), C9(H9),
  C11(H11), C24(H24), C25(H25), C31(H31), C33(H33), C38(H38), C39(H39),
 C12(H12), C14(H14), C5(H5), C26(H26), C27(H27)
6.b Fitted hexagon refined as free rotating group:
 C48(C04V,C04R,C033,C03R,C34)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au2 Au 0.62694(4) 0.41165(3) 0.29783(2) 0.04882(14) Uani 1 1 d . U . . .
Au02 Au 0.72806(4) 0.40332(3) 0.21730(2) 0.05110(15) Uani 1 1 d . . . . .
Au03 Au 0.52890(4) 0.41168(3) 0.21146(2) 0.05173(15) Uani 1 1 d . . . . .
Au04 Au 0.50003(4) 0.27101(3) 0.23958(2) 0.05327(15) Uani 1 1 d . . . . .
Au05 Au 0.78751(4) 0.20132(3) 0.23971(2) 0.05409(16) Uani 1 1 d . . . . .
Au06 Au 0.69753(4) 0.27819(3) 0.33651(2) 0.05493(16) Uani 1 1 d . . . . .
Au07 Au 0.66457(4) 0.13434(3) 0.28832(2) 0.05700(16) Uani 1 1 d . . . . .
Au08 Au 0.50234(4) 0.26570(3) 0.32171(2) 0.05582(16) Uani 1 1 d . . . . .
Au09 Au 0.69710(4) 0.26842(3) 0.17362(2) 0.05714(16) Uani 1 1 d . . . . .
Au0A Au 0.80691(4) 0.34608(4) 0.28038(2) 0.06209(18) Uani 1 1 d . . . . .
Au0B Au 0.66539(4) 0.40710(4) 0.14180(2) 0.06306(18) Uani 1 1 d . . . . .
Au0C Au 0.43746(4) 0.40502(4) 0.28870(2) 0.06459(18) Uani 1 1 d . . . . .
Au Au 0.6180(15) 0.1328(2) 0.21123(14) 0.072(4) Uani 0.223(13) 1 d . . P A 2
Au0E Au 0.62193(7) 0.17115(5) 0.37093(2) 0.0933(3) Uani 1 1 d . . . . .
P00F P 0.9466(2) 0.3277(2) 0.28953(12) 0.0609(10) Uani 1 1 d . . . . .
P00G P 0.6488(3) 0.5109(2) 0.09903(11) 0.0589(9) Uani 1 1 d . . . . .
P00H P 0.3391(3) 0.4975(2) 0.32317(12) 0.0644(10) Uani 1 1 d . . . . .
P00I P 0.6365(3) 0.0712(2) 0.16035(13) 0.0714(12) Uani 1 1 d . . . . .
P00J P 0.5691(3) 0.0904(3) 0.41895(14) 0.0789(13) Uani 1 1 d . . . . .
S00K S 1.0092(4) 0.7980(3) 0.04989(17) 0.0928(15) Uani 1 1 d . . . . .
S00L S 1.1004(5) 0.7378(4) 0.1132(2) 0.1127(19) Uani 1 1 d . . . . .
C00N C 0.6308(8) 0.4932(8) 0.2481(4) 0.052(3) Uani 1 1 d . . . . .
C00O C 0.5869(9) 0.3664(8) 0.3592(4) 0.053(3) Uani 1 1 d . . . . .
C00P C 0.5968(9) 0.4050(8) 0.3920(4) 0.053(3) Uani 1 1 d . . . . .
C00Q C 0.8259(9) 0.3344(9) 0.1812(4) 0.060(4) Uani 1 1 d . . . . .
C00R C 0.7852(8) 0.1786(8) 0.3306(5) 0.051(3) Uani 1 1 d . . . . .
O00S O 1.0792(10) 0.7645(8) 0.0206(4) 0.099(4) Uani 1 1 d . . . . .
C00T C 0.7901(9) 0.1363(10) 0.2986(5) 0.068(4) Uani 1 1 d . . . . .
C00U C 0.8822(9) 0.3637(8) 0.1491(4) 0.054(3) Uani 1 1 d . . . . .
H00U H 0.878542 0.414883 0.147304 0.065 Uiso 1 1 calc R U . . .
C00V C 0.5819(10) 0.2984(7) 0.1528(4) 0.059(4) Uani 1 1 d . . . . .
C00W C 0.5416(8) 0.1224(8) 0.2881(4) 0.050(3) Uani 1 1 d . . . . .
C00X C 0.8338(11) 0.2559(9) 0.1833(5) 0.070(4) Uani 1 1 d . . . . .
C00Y C 0.4975(10) 0.3028(8) 0.0969(5) 0.058(4) Uani 1 1 d . . . . .
C00Z C 0.6624(10) 0.5587(8) 0.2554(4) 0.056(3) Uani 1 1 d . . . . .
C010 C 0.6714(10) 0.4870(9) 0.0462(4) 0.065(4) Uani 1 1 d . . . . .
C011 C 0.5474(11) 0.4002(9) 0.4329(5) 0.068(3) Uani 1 1 d . . . . .
C012 C 0.5218(8) 0.0485(7) 0.2968(4) 0.051(3) Uani 1 1 d . . . . .
H012 H 0.566980 0.007108 0.299367 0.061 Uiso 1 1 calc R U . . .
C013 C 0.5053(10) 0.3256(8) 0.1790(4) 0.059(4) Uani 1 1 d . . . . .
C014 C 0.7416(11) 0.4254(10) 0.0345(4) 0.068(4) Uani 1 1 d . . . . .
H014 H 0.774699 0.400469 0.053939 0.082 Uiso 1 1 calc R U . . .
C015 C 0.8392(12) 0.1546(10) 0.3602(5) 0.077(5) Uani 1 1 d . . . . .
H015 H 0.832882 0.184666 0.381935 0.093 Uiso 1 1 calc R U . . .
C016 C 0.4655(10) 0.3266(9) 0.4042(4) 0.066(4) Uani 1 1 d . . . . .
H016 H 0.421382 0.300532 0.408175 0.079 Uiso 1 1 calc R U . . .
C017 C 0.5791(12) 0.2871(8) 0.1103(4) 0.062(4) Uani 1 1 d . . . . .
H017 H 0.630304 0.269681 0.092168 0.074 Uiso 1 1 calc R U . . .
C018 C 0.5589(9) 0.5045(7) 0.2283(4) 0.049(3) Uani 1 1 d . . . . .
C019 C 0.4755(9) 0.1840(9) 0.2843(4) 0.060(4) Uani 1 1 d . . . . .
C01A C 0.8970(9) 0.2112(9) 0.1550(5) 0.065(4) Uani 1 1 d . . . . .
C01B C 0.9026(10) 0.0870(9) 0.3585(6) 0.070(5) Uani 1 1 d . . . . .
C01C C 0.5165(10) 0.3297(7) 0.3654(4) 0.055(3) Uani 1 1 d . . . . .
F01D F 0.9949(12) 0.9206(8) 0.0034(5) 0.144(5) Uani 1 1 d . . . . .
C01E C 0.7146(12) 0.5729(9) 0.1034(5) 0.074(5) Uani 1 1 d . . . . .
C01F C 0.4207(10) 0.3437(8) 0.1650(5) 0.059(4) Uani 1 1 d . . . . .
C01G C 0.5179(10) 0.5786(8) 0.2166(5) 0.061(3) Uani 1 1 d . . . . .
H01G H 0.468143 0.586415 0.204911 0.073 Uiso 1 1 calc R U . . .
C01H C 0.6222(12) 0.5212(9) 0.0172(5) 0.071(4) Uani 1 1 d . . . . .
H01H H 0.574540 0.560360 0.024125 0.085 Uiso 1 1 calc R U . . .
O01I O 0.9221(10) 0.7941(9) 0.0466(6) 0.124(6) Uani 1 1 d . . . . .
C01J C 0.5489(11) 0.6380(8) 0.2221(5) 0.067(4) Uani 1 1 d . . . . .
C01K C 0.6654(10) 0.4441(9) 0.3870(5) 0.067(4) Uani 1 1 d . . . . .
H01K H 0.701526 0.446830 0.361555 0.080 Uiso 1 1 calc R U . . .
C01L C 0.2795(10) 0.5644(9) 0.2504(5) 0.069(4) Uani 1 1 d . . . . .
H01L H 0.304707 0.518405 0.239313 0.083 Uiso 1 1 calc R U . . .
C01M C 0.9953(10) 0.1824(10) 0.2647(5) 0.071(5) Uani 1 1 d . . . . .
H01M H 0.954546 0.172608 0.287436 0.085 Uiso 1 1 calc R U . . .
C01N C 0.9074(8) 0.0385(9) 0.3273(6) 0.066(4) Uani 1 1 d . . . . .
C01O C 0.4775(12) 0.3603(9) 0.4369(5) 0.071(4) Uani 1 1 d . . . . .
C01P C 0.2867(11) 0.5741(9) 0.2906(5) 0.070(4) Uani 1 1 d . . . . .
C01Q C 0.8550(10) 0.0644(9) 0.2959(5) 0.067(4) Uani 1 1 d . . . . .
C01R C 0.3909(12) 0.5390(10) 0.3539(5) 0.072(4) Uani 1 1 d . . . . .
C01S C 0.3856(10) 0.1754(9) 0.2886(5) 0.066(4) Uani 1 1 d . . . . .
F01T F 1.0779(11) 0.9140(9) 0.0478(5) 0.139(6) Uani 1 1 d . . . . .
C01U C 0.7440(14) 0.6196(11) 0.0691(6) 0.091(6) Uani 1 1 d . . . . .
H01U H 0.732170 0.613295 0.043518 0.109 Uiso 1 1 calc R U . . .
C01V C 0.3700(9) 0.1015(7) 0.2955(5) 0.063(4) Uani 1 1 d . . . . .
C01W C 0.6196(12) 0.6316(8) 0.2425(5) 0.069(4) Uani 1 1 d . . . . .
F01X F 1.0669(11) 0.6221(9) 0.0873(6) 0.148(5) Uani 1 1 d . U . . .
C01Y C 0.4403(9) 0.0387(8) 0.3014(4) 0.056(4) Uani 1 1 d . . . . .
C01Z C 0.9591(10) 0.3044(9) 0.3420(4) 0.062(4) Uani 1 1 d . . . . .
C020 C 0.6758(10) 0.0994(9) 0.1073(5) 0.068(4) Uani 1 1 d . . . . .
C021 C 0.7616(13) 0.4018(11) -0.0057(5) 0.078(5) Uani 1 1 d . . . . .
H021 H 0.808392 0.362332 -0.013537 0.093 Uiso 1 1 calc R U . . .
C022 C 1.0122(10) 0.2544(10) 0.2585(5) 0.071(4) Uani 1 1 d . . . . .
C023 C 0.9429(10) 0.3206(9) 0.1199(4) 0.063(4) Uani 1 1 d . . . . .
C024 C 0.3405(9) 0.3719(9) 0.1919(6) 0.068(4) Uani 1 1 d . . . . .
H024 H 0.341571 0.378869 0.219130 0.082 Uiso 1 1 calc R U . . .
C025 C 0.7544(12) 0.1234(10) 0.1006(5) 0.077(5) Uani 1 1 d . . . . .
H025 H 0.783769 0.122841 0.122233 0.093 Uiso 1 1 calc R U . . .
C026 C 0.7340(10) 0.5500(9) 0.2755(5) 0.065(4) Uani 1 1 d . . . . .
H026 H 0.762105 0.502412 0.283849 0.078 Uiso 1 1 calc R U . . .
C027 C 0.4712(12) 0.5203(11) 0.1158(5) 0.075(5) Uani 1 1 d . . . . .
H027 H 0.485919 0.468864 0.113363 0.090 Uiso 1 1 calc R U . . .
C028 C 0.4995(11) 0.2880(8) 0.0539(5) 0.066(4) Uani 1 1 d . . . . .
C02A C 0.7085(12) 0.4398(11) -0.0340(6) 0.082(5) Uani 1 1 d . . . . .
H02A H 0.718940 0.424589 -0.060792 0.098 Uiso 1 1 calc R U . . .
C02B C 0.4582(12) 0.5745(10) 0.3333(6) 0.081(5) Uani 1 1 d . . . . .
H02B H 0.471989 0.576406 0.304766 0.097 Uiso 1 1 calc R U . . .
C02C C 0.6505(14) 0.6912(9) 0.2521(6) 0.086(5) Uani 1 1 d . . . . .
H02C H 0.621487 0.739175 0.244822 0.103 Uiso 1 1 calc R U . . .
C02D C 0.4183(10) 0.3316(8) 0.1230(5) 0.058(4) Uani 1 1 d . . . . .
C02E C 0.5115(11) 0.6379(9) 0.1126(5) 0.072(5) Uani 1 1 d . . . . .
H02E H 0.553504 0.666373 0.107576 0.087 Uiso 1 1 calc R U . . .
C02F C 0.6438(14) 0.4970(11) -0.0224(5) 0.087(6) Uani 1 1 d . . . . .
H02F H 0.611087 0.522337 -0.041822 0.104 Uiso 1 1 calc R U . . .
F02G F 1.0015(10) 0.6525(11) 0.1500(5) 0.170(8) Uani 1 1 d . . . . .
C02H C 0.4260(14) 0.6708(11) 0.1227(5) 0.090(6) Uani 1 1 d . . . . .
H02H H 0.409953 0.721911 0.126077 0.107 Uiso 1 1 calc R U . . .
C02I C 0.9522(11) 0.2400(9) 0.1229(5) 0.066(4) Uani 1 1 d . . . . .
C02J C 0.9709(13) 0.0877(11) 0.1309(6) 0.086(5) Uani 1 1 d . . . . .
H02J H 0.977171 0.036202 0.133713 0.103 Uiso 1 1 calc R U . . .
C02K C 0.9609(9) 0.0685(9) 0.3900(5) 0.071(5) Uani 1 1 d . . . . .
C02L C 0.5356(11) 0.5605(9) 0.1099(4) 0.064(4) Uani 1 1 d . . . . .
C02M C 0.6783(11) 0.4785(11) 0.4205(5) 0.075(4) Uani 1 1 d . . . . .
H02M H 0.721520 0.505475 0.417206 0.090 Uiso 1 1 calc R U . . .
F02N F 0.9379(11) 0.9369(9) 0.0661(6) 0.149(6) Uani 1 1 d . . . . .
F02O F 1.1416(11) 0.5967(9) 0.1352(5) 0.152(6) Uani 1 1 d . . . . .
C02P C 0.9936(11) 0.3588(9) 0.0858(5) 0.073(5) Uani 1 1 d . . . . .
C02Q C 0.9639(12) 0.4507(12) 0.2382(6) 0.090(6) Uani 1 1 d . . . . .
H02Q H 0.924326 0.436748 0.225147 0.108 Uiso 1 1 calc R U . . .
C02R C 0.4509(13) 0.1207(9) 0.4315(6) 0.078(5) Uani 1 1 d . . . . .
C02S C 0.9618(12) -0.0810(10) 0.2946(7) 0.088(6) Uani 1 1 d . . . . .
H02S H 0.996673 -0.129078 0.293749 0.106 Uiso 1 1 calc R U . . .
C02T C 0.9616(12) -0.0359(10) 0.3251(7) 0.089(6) Uani 1 1 d . . . . .
H02T H 0.997136 -0.053650 0.344623 0.106 Uiso 1 1 calc R U . . .
C02U C 1.0254(10) 0.2529(10) 0.3547(5) 0.072(4) Uani 1 1 d . . . . .
H02U H 1.069152 0.226733 0.335416 0.087 Uiso 1 1 calc R U . . .
C02V C 0.2520(12) 0.6475(10) 0.3052(7) 0.088(5) Uani 1 1 d . . . . .
H02V H 0.261059 0.658925 0.330486 0.105 Uiso 1 1 calc R U . . .
C02W C 0.4040(13) 0.1261(10) 0.4002(6) 0.084(5) Uani 1 1 d . . . . .
H02W H 0.432452 0.110666 0.374229 0.101 Uiso 1 1 calc R U . . .
C02X C 0.6149(15) 0.0841(13) 0.4646(7) 0.096(6) Uani 1 1 d . U . . .
C02Y C 1.0677(10) 0.2710(10) 0.2209(5) 0.075(5) Uani 1 1 d . . . . .
H02Y H 1.076017 0.319180 0.213900 0.090 Uiso 1 1 calc R U . . .
C02Z C 1.0513(11) 0.4286(11) 0.2912(6) 0.081(5) Uani 1 1 d . . . . .
H02Z H 1.068621 0.400712 0.314324 0.097 Uiso 1 1 calc R U . . .
C030 C 0.3186(10) 0.2358(9) 0.2835(5) 0.070(4) Uani 1 1 d . . . . .
H030 H 0.329594 0.283457 0.279754 0.084 Uiso 1 1 calc R U . . .
C031 C 0.6899(12) -0.0221(9) 0.1677(5) 0.076(5) Uani 1 1 d . . . . .
C032 C 0.5625(12) 0.4338(9) 0.4647(5) 0.073(4) Uani 1 1 d . . . . .
H032 H 0.529043 0.430480 0.490763 0.088 Uiso 1 1 calc R U . . .
C034 C 1.0372(12) 0.4088(12) 0.0938(6) 0.085(5) Uani 1 1 d . . . . .
H034 H 1.033709 0.419030 0.121043 0.102 Uiso 1 1 calc R U . . .
C035 C 1.0529(11) 0.0452(10) 0.3769(6) 0.082(5) Uani 1 1 d . . . . .
H035 H 1.076377 0.037857 0.349287 0.098 Uiso 1 1 calc R U . . .
C036 C 0.5042(15) 0.7138(9) 0.2060(7) 0.094(5) Uani 1 1 d . . . . .
C037 C 0.9906(10) 0.4097(8) 0.2723(5) 0.064(4) Uani 1 1 d . . . . .
O038 O 1.1827(10) 0.7274(11) 0.0846(6) 0.136(6) Uani 1 1 d . . . . .
C039 C 0.5612(15) 0.2918(11) -0.0189(6) 0.092(6) Uani 1 1 d . . . . .
H039 H 0.596755 0.311519 -0.040608 0.111 Uiso 1 1 calc R U . . .
C03A C 1.0233(13) 0.1185(13) 0.0983(7) 0.095(6) Uani 1 1 d . . . . .
H03A H 1.064097 0.088173 0.079652 0.115 Uiso 1 1 calc R U . . .
C03B C 0.2191(10) 0.1548(10) 0.2875(7) 0.086(6) Uani 1 1 d . . . . .
H03B H 0.164385 0.147833 0.285773 0.103 Uiso 1 1 calc R U . . .
C03C C 0.2853(11) 0.0928(11) 0.2939(6) 0.079(5) Uani 1 1 d . . . . .
H03C H 0.273800 0.045275 0.297001 0.095 Uiso 1 1 calc R U . . .
C03D C 0.4097(16) 0.1495(12) 0.4695(6) 0.096(6) Uani 1 1 d . . . . .
H03D H 0.441393 0.149423 0.490224 0.115 Uiso 1 1 calc R U . . .
C03E C 0.5156(16) 0.2436(11) -0.0268(6) 0.093(6) Uani 1 1 d . . . . .
H03E H 0.523783 0.226360 -0.053017 0.112 Uiso 1 1 calc R U . . .
C03F C 0.6264(13) 0.4720(12) 0.4580(5) 0.086(5) Uani 1 1 d . . . . .
H03F H 0.635705 0.494960 0.479983 0.104 Uiso 1 1 calc R U . . .
C03G C 0.5239(14) 0.0761(10) 0.1653(8) 0.103(7) Uani 1 1 d . U . . .
C03H C 0.3859(11) 0.5565(13) 0.1252(5) 0.081(5) Uani 1 1 d . . . . .
H03H H 0.343365 0.528621 0.129722 0.097 Uiso 1 1 calc R U . . .
C03I C 0.7909(13) 0.6260(11) 0.1447(6) 0.087(6) Uani 1 1 d . . . . .
H03I H 0.808679 0.626450 0.169717 0.105 Uiso 1 1 calc R U . . .
C03J C 0.3199(15) 0.1783(12) 0.4756(7) 0.095(6) Uani 1 1 d . . . . .
H03J H 0.291303 0.194870 0.501312 0.114 Uiso 1 1 calc R U . . .
C03K C 1.0286(14) 0.2386(12) 0.3976(6) 0.091(6) Uani 1 1 d . . . . .
H03K H 1.074492 0.203351 0.406205 0.110 Uiso 1 1 calc R U . . .
C03L C 0.2658(13) 0.3879(9) 0.1789(6) 0.076(5) Uani 1 1 d . . . . .
H03L H 0.214022 0.403814 0.197046 0.092 Uiso 1 1 calc R U . . .
C03M C 0.3609(13) 0.6301(13) 0.1281(5) 0.084(6) Uani 1 1 d . . . . .
H03M H 0.302250 0.653665 0.133558 0.101 Uiso 1 1 calc R U . . .
C03N C 0.4213(10) -0.0374(9) 0.3130(6) 0.074(5) Uani 1 1 d . . . . .
C03O C 1.1062(12) 0.0339(13) 0.4061(7) 0.105(8) Uani 1 1 d . . . . .
H03O H 1.165923 0.016487 0.398359 0.126 Uiso 1 1 calc R U . . .
C03P C 0.4508(13) 0.2395(11) 0.0449(6) 0.085(5) Uani 1 1 d . . . . .
H03P H 0.414107 0.219540 0.066030 0.102 Uiso 1 1 calc R U . . .
C03Q C 0.9110(11) 0.1308(11) 0.1586(7) 0.096(6) Uani 1 1 d . . . . .
H03Q H 0.878298 0.108113 0.180277 0.115 Uiso 1 1 calc R U . . .
C03S C 0.4172(14) 0.3512(12) 0.4777(6) 0.091(5) Uani 1 1 d . . . . .
C03T C 0.7194(14) 0.6843(9) 0.2711(6) 0.084(5) Uani 1 1 d . . . . .
H03T H 0.737664 0.726157 0.276290 0.100 Uiso 1 1 calc R U . . .
O03U O 1.0983(17) 0.7569(14) 0.1551(5) 0.177(9) Uani 1 1 d . . . . .
C03V C 0.3738(16) 0.5397(11) 0.3964(6) 0.093(6) Uani 1 1 d . . . . .
H03V H 0.330575 0.516954 0.411334 0.112 Uiso 1 1 calc R U . . .
C03W C 1.0135(11) 0.1918(12) 0.0947(7) 0.088(6) Uani 1 1 d . . . . .
H03W H 1.047919 0.212678 0.072926 0.105 Uiso 1 1 calc R U . . .
C03X C 1.0860(15) 0.4894(13) 0.2754(7) 0.107(7) Uani 1 1 d . . . . .
H03X H 1.128149 0.501404 0.287543 0.129 Uiso 1 1 calc R U . . .
C03Y C 0.6332(16) 0.1007(12) 0.0752(6) 0.095(6) Uani 1 1 d . . . . .
H03Y H 0.581178 0.084718 0.080166 0.114 Uiso 1 1 calc R U . . .
C03Z C 0.5567(13) 0.3133(11) 0.0213(5) 0.085(5) Uani 1 1 d . . . . .
H03Z H 0.591588 0.344058 0.026000 0.102 Uiso 1 1 calc R U . . .
C040 C 0.8599(13) 0.0151(9) 0.2656(6) 0.084(5) Uani 1 1 d . . . . .
H040 H 0.826697 0.031941 0.245083 0.101 Uiso 1 1 calc R U . . .
C041 C 0.3354(11) 0.3556(9) 0.1102(5) 0.068(4) Uani 1 1 d . . . . .
H041 H 0.331877 0.353303 0.082680 0.082 Uiso 1 1 calc R U . . .
C042 C 0.2388(14) 0.6174(13) 0.2280(6) 0.090(6) Uani 1 1 d . . . . .
H042 H 0.235342 0.609132 0.201265 0.108 Uiso 1 1 calc R U . . .
C043 C 1.0936(11) 0.1398(11) 0.2023(6) 0.083(5) Uani 1 1 d . . . . .
H043 H 1.120142 0.102860 0.183942 0.100 Uiso 1 1 calc R U . . .
C044 C 0.6774(16) -0.0248(13) 0.3774(7) 0.109(8) Uani 1 1 d . . . . .
H044 H 0.718434 0.004567 0.372920 0.131 Uiso 1 1 calc R U . . .
C045 C 0.7379(11) 0.5798(11) 0.1403(5) 0.077(5) Uani 1 1 d . . . . .
H045 H 0.716838 0.552073 0.163392 0.093 Uiso 1 1 calc R U . . .
C046 C 0.4571(15) 0.2210(12) 0.0047(6) 0.094(6) Uani 1 1 d . . . . .
H046 H 0.420512 0.192558 -0.000965 0.112 Uiso 1 1 calc R U . . .
C047 C 0.9268(13) 0.0779(12) 0.4310(6) 0.096(7) Uani 1 1 d . . . . .
H047 H 0.866707 0.088933 0.439431 0.116 Uiso 1 1 calc R U . . .
C048 C 0.8938(12) 0.3392(13) 0.3724(6) 0.089(6) Uani 1 1 d . . . . .
H048 H 0.846963 0.374024 0.364297 0.107 Uiso 1 1 calc R U . . .
C049 C 0.3281(15) 0.3714(13) 0.4793(8) 0.109(6) Uani 1 1 d . . . . .
H049 H 0.306843 0.393972 0.455873 0.131 Uiso 1 1 calc R U . . .
C04A C 0.5037(13) 0.6067(11) 0.3559(7) 0.087(6) Uani 1 1 d . . . . .
H04A H 0.548279 0.628932 0.342042 0.104 Uiso 1 1 calc R U . . .
C04B C 0.5955(13) -0.0016(12) 0.4007(6) 0.091(6) Uani 1 1 d . . . . .
C04C C 0.9651(14) 0.2761(14) 0.4254(6) 0.099(7) Uani 1 1 d . . . . .
H04C H 0.968229 0.268964 0.453288 0.119 Uiso 1 1 calc R U . . .
N04D N 1.0169(14) 0.7815(12) 0.0958(6) 0.127(7) Uani 1 1 d . . . . .
C04E C 0.2332(11) 0.2270(11) 0.2838(6) 0.084(5) Uani 1 1 d . . . . .
H04E H 0.187783 0.268263 0.281530 0.101 Uiso 1 1 calc R U . . .
C04F C 0.9901(12) 0.3486(12) 0.0439(6) 0.095(6) Uani 1 1 d . . . . .
H04F H 0.957665 0.316319 0.038457 0.114 Uiso 1 1 calc R U . . .
C04G C 1.0357(11) 0.1254(12) 0.2389(7) 0.090(6) Uani 1 1 d . . . . .
H04G H 1.025153 0.077875 0.245432 0.108 Uiso 1 1 calc R U . . .
C04H C 0.4629(13) 0.1400(11) 0.1654(8) 0.100(6) Uani 1 1 d . U . . .
H04H H 0.483749 0.183295 0.158639 0.120 Uiso 1 1 calc R U . . .
C04I C 1.1090(12) 0.2123(12) 0.1950(6) 0.092(6) Uani 1 1 d . . . . .
H04I H 1.148618 0.221976 0.171856 0.111 Uiso 1 1 calc R U . . .
C04J C 0.8171(16) 0.6712(15) 0.1120(8) 0.117(8) Uani 1 1 d . . . . .
H04J H 0.853947 0.701637 0.114876 0.140 Uiso 1 1 calc R U . . .
C04K C 0.5369(16) -0.0481(12) 0.4068(8) 0.107(7) Uani 1 1 d . . . . .
H04K H 0.482667 -0.032501 0.423133 0.128 Uiso 1 1 calc R U . . .
C04L C 1.0592(16) 0.5323(11) 0.2421(7) 0.099(7) Uani 1 1 d . . . . .
H04L H 1.082405 0.573571 0.232103 0.119 Uiso 1 1 calc R U . . .
C04M C 0.5467(18) 0.7614(11) 0.1793(8) 0.122(8) Uani 1 1 d . . . . .
H04M H 0.607245 0.749942 0.174688 0.147 Uiso 1 1 calc R U . . .
C04N C 0.3153(15) 0.1543(13) 0.4071(9) 0.108(7) Uani 1 1 d . . . . .
H04N H 0.283848 0.154283 0.386376 0.130 Uiso 1 1 calc R U . . .
C04O C 0.6233(18) 0.1451(17) 0.4767(8) 0.127(8) Uani 1 1 d . U . . .
H04O H 0.603020 0.189688 0.462384 0.152 Uiso 1 1 calc R U . . .
C04P C 0.7888(16) 0.6734(12) 0.0721(7) 0.108(8) Uani 1 1 d . . . . .
H04P H 0.800276 0.708127 0.050629 0.129 Uiso 1 1 calc R U . . .
C04Q C 0.9088(12) -0.0542(11) 0.2643(7) 0.095(6) Uani 1 1 d . . . . .
H04Q H 0.908058 -0.084578 0.243734 0.114 Uiso 1 1 calc R U . . .
C04S C 0.7873(13) 0.1481(12) 0.0612(6) 0.093(6) Uani 1 1 d . . . . .
H04S H 0.838526 0.165376 0.055896 0.111 Uiso 1 1 calc R U . . .
C04U C 0.6917(17) -0.0591(11) 0.2093(7) 0.121(9) Uani 1 1 d . . . . .
H04U H 0.666485 -0.031351 0.232223 0.145 Uiso 1 1 calc R U . . .
C04W C 0.6506(13) 0.0154(13) 0.4826(6) 0.094(6) Uani 1 1 d . U . . .
H04W H 0.647395 -0.028584 0.472166 0.112 Uiso 1 1 calc R U . . .
C04X C 0.4654(13) -0.0972(11) 0.2899(7) 0.092(6) Uani 1 1 d . . . . .
H04X H 0.505304 -0.089754 0.266389 0.111 Uiso 1 1 calc R U . . .
C04Y C 0.2721(17) 0.1828(14) 0.4446(7) 0.107(7) Uani 1 1 d . . . . .
H04Y H 0.212810 0.204291 0.448650 0.128 Uiso 1 1 calc R U . . .
C04Z C 0.4138(17) 0.7340(12) 0.2175(8) 0.112(6) Uani 1 1 d . . . . .
H04Z H 0.381235 0.705736 0.236077 0.134 Uiso 1 1 calc R U . . .
C050 C 0.2058(13) 0.7001(11) 0.2816(7) 0.095(6) Uani 1 1 d . . . . .
H050 H 0.177669 0.746104 0.292079 0.114 Uiso 1 1 calc R U . . .
C051 C 0.4515(15) -0.1688(11) 0.3012(7) 0.098(7) Uani 1 1 d . . . . .
H051 H 0.484321 -0.208913 0.286101 0.118 Uiso 1 1 calc R U . . .
C052 C 0.7631(12) 0.6113(9) 0.2831(6) 0.080(5) Uani 1 1 d . . . . .
H052 H 0.811191 0.604694 0.295927 0.095 Uiso 1 1 calc R U . . .
C053 C 0.9978(13) 0.5144(11) 0.2234(7) 0.095(7) Uani 1 1 d . . . . .
H053 H 0.978755 0.543987 0.201158 0.114 Uiso 1 1 calc R U . . .
C054 C 0.9811(13) 0.0712(14) 0.4604(7) 0.118(9) Uani 1 1 d . . . . .
H054 H 0.957222 0.081749 0.487642 0.142 Uiso 1 1 calc R U . . .
C055 C 0.6633(16) 0.1241(14) 0.0372(7) 0.105(7) Uani 1 1 d . . . . .
H055 H 0.631691 0.125349 0.016283 0.126 Uiso 1 1 calc R U . . .
C056 C 0.7398(17) 0.1461(14) 0.0286(6) 0.109(8) Uani 1 1 d . . . . .
H056 H 0.761944 0.160069 0.001706 0.131 Uiso 1 1 calc R U . . .
C057 C 0.3787(16) 0.1495(14) 0.1737(9) 0.120(7) Uani 1 1 d . U . . .
H057 H 0.343062 0.197105 0.172358 0.144 Uiso 1 1 calc R U . . .
C058 C 0.7480(19) -0.0618(12) 0.1383(7) 0.129(10) Uani 1 1 d . . . . .
H058 H 0.756776 -0.041977 0.111266 0.155 Uiso 1 1 calc R U . . .
C059 C 0.3907(14) -0.1800(12) 0.3337(8) 0.104(7) Uani 1 1 d . . . . .
H059 H 0.381314 -0.227683 0.341111 0.125 Uiso 1 1 calc R U . . .
C05A C 0.7820(16) -0.1669(14) 0.1860(8) 0.115(8) Uani 1 1 d . . . . .
H05A H 0.811247 -0.215890 0.191088 0.138 Uiso 1 1 calc R U . . .
C05B C 0.2648(14) 0.3806(10) 0.1362(6) 0.081(5) Uani 1 1 d . . . . .
H05B H 0.211887 0.394308 0.126883 0.097 Uiso 1 1 calc R U . . .
C05C C 1.0870(17) 0.4455(16) 0.0630(9) 0.133(10) Uani 1 1 d . . . . .
H05C H 1.120426 0.475937 0.069514 0.160 Uiso 1 1 calc R U . . .
C05F C 0.485(2) 0.6063(14) 0.3968(9) 0.118(9) Uani 1 1 d . . . . .
H05F H 0.515435 0.627955 0.411447 0.142 Uiso 1 1 calc R U . . .
C05G C 0.4888(17) 0.0120(12) 0.1814(10) 0.133(8) Uani 1 1 d . U . . .
H05G H 0.524964 -0.034600 0.185445 0.159 Uiso 1 1 calc R U . . .
C05H C 0.3579(12) -0.0475(11) 0.3458(7) 0.095(6) Uani 1 1 d . . . . .
H05H H 0.325925 -0.007128 0.360874 0.114 Uiso 1 1 calc R U . . .
C05I C 0.3413(15) -0.1193(11) 0.3567(7) 0.106(7) Uani 1 1 d . . . . .
H05I H 0.298046 -0.126406 0.378788 0.127 Uiso 1 1 calc R U . . .
C05J C 0.6981(18) 0.0761(17) 0.5281(9) 0.128(9) Uani 1 1 d . U . . .
H05J H 0.729388 0.072719 0.549321 0.154 Uiso 1 1 calc R U . . .
C05L C 1.0853(19) 0.4354(16) 0.0217(8) 0.130(10) Uani 1 1 d . . . . .
H05L H 1.116989 0.460345 0.000700 0.156 Uiso 1 1 calc R U . . .
C05M C 0.269(2) 0.3595(19) 0.5144(8) 0.145(9) Uani 1 1 d . . . . .
H05M H 0.209266 0.373055 0.515083 0.174 Uiso 1 1 calc R U . . .
C05N C 0.2000(13) 0.6871(18) 0.2440(8) 0.119(9) Uani 1 1 d . . . . .
H05N H 0.169841 0.724710 0.227954 0.142 Uiso 1 1 calc R U . . .
C05O C 1.0336(18) 0.3854(17) 0.0115(7) 0.126(10) Uani 1 1 d . . . . .
H05O H 1.030704 0.379205 -0.015634 0.152 Uiso 1 1 calc R U . . .
C37 C 0.4452(18) 0.3171(12) 0.5117(6) 0.107(6) Uani 1 1 d . . . . .
H37 H 0.504712 0.297987 0.510328 0.128 Uiso 1 1 calc R U . . .
C41 C 0.305(3) 0.3263(18) 0.5482(10) 0.151(10) Uani 1 1 d . . . . .
H41 H 0.266556 0.315607 0.571724 0.182 Uiso 1 1 calc R U . . .
C48 C 0.1112(8) 0.4914(9) 0.4023(5) 0.150(13) Uani 1 1 d G . . . .
H48 H 0.063466 0.525206 0.415413 0.180 Uiso 1 1 calc R U . . .
C04V C 0.1138(8) 0.4153(10) 0.4075(5) 0.140(11) Uani 1 1 d G . . . .
H04V H 0.067779 0.398207 0.424082 0.168 Uiso 1 1 calc R U . . .
C04R C 0.1851(9) 0.3647(7) 0.3880(5) 0.115(8) Uani 1 1 d G . . . .
H04R H 0.186875 0.313820 0.391448 0.138 Uiso 1 1 calc R U . . .
C033 C 0.2539(7) 0.3903(6) 0.3632(4) 0.086(5) Uani 1 1 d G . . . .
H033 H 0.301657 0.356431 0.350145 0.103 Uiso 1 1 calc R U . . .
C03R C 0.2513(6) 0.4663(6) 0.3580(3) 0.072(5) Uani 1 1 d G . . . .
C34 C 0.1800(9) 0.5169(6) 0.3776(4) 0.113(8) Uani 1 1 d G . . . .
H34 H 0.178250 0.567818 0.374109 0.135 Uiso 1 1 calc R U . . .
C53 C 0.388(2) 0.3084(18) 0.5501(8) 0.148(10) Uani 1 1 d . . . . .
H53 H 0.409019 0.291512 0.574462 0.178 Uiso 1 1 calc R U . . .
C4 C 1.0747(18) 0.6512(16) 0.1238(9) 0.120(8) Uani 1 1 d . U . . .
C7 C 1.011(2) 0.8995(14) 0.0419(8) 0.117(8) Uani 1 1 d . . . . .
C6 C 1.0702(15) 0.0489(16) 0.4484(7) 0.123(9) Uani 1 1 d . . . . .
H6 H 1.106841 0.043471 0.467544 0.148 Uiso 1 1 calc R U . . .
C1 C 0.3459(15) 0.0928(13) 0.1836(11) 0.140(9) Uani 1 1 d . U . . .
H1 H 0.286025 0.098352 0.186190 0.168 Uiso 1 1 calc R U . . .
C9 C 0.8950(15) 0.3255(15) 0.4123(7) 0.108(7) Uani 1 1 d . . . . .
H9 H 0.848635 0.349078 0.431394 0.130 Uiso 1 1 calc R U . . .
C11 C 0.420(3) 0.5734(14) 0.4167(8) 0.136(11) Uani 1 1 d . . . . .
H11 H 0.405614 0.573864 0.445273 0.163 Uiso 1 1 calc R U . . .
C24 C 0.421(3) 0.8479(17) 0.1712(15) 0.217(16) Uani 1 1 d . . . . .
H24 H 0.392817 0.894537 0.161600 0.261 Uiso 1 1 calc R U . . .
C25 C 0.3971(19) 0.0229(15) 0.1906(11) 0.155(10) Uani 1 1 d . U . . .
H25 H 0.371416 -0.016670 0.201377 0.186 Uiso 1 1 calc R U . . .
C31 C 0.377(2) 0.8038(13) 0.1972(11) 0.167(10) Uani 1 1 d . . . . .
H31 H 0.316427 0.819757 0.202533 0.200 Uiso 1 1 calc R U . . .
C33 C 0.728(2) -0.1307(13) 0.2147(9) 0.146(12) Uani 1 1 d . . . . .
H33 H 0.714613 -0.155395 0.240118 0.176 Uiso 1 1 calc R U . . .
C38 C 0.507(3) 0.8231(16) 0.1597(15) 0.225(17) Uani 1 1 d . . . . .
H38 H 0.537802 0.847935 0.138440 0.270 Uiso 1 1 calc R U . . .
C39 C 0.795(2) -0.1330(15) 0.1489(9) 0.173(16) Uani 1 1 d . . . . .
H39 H 0.837530 -0.157961 0.128719 0.207 Uiso 1 1 calc R U . . .
C12 C 0.690(2) 0.0132(19) 0.5155(9) 0.141(10) Uani 1 1 d . U . . .
H12 H 0.711642 -0.032191 0.528985 0.169 Uiso 1 1 calc R U . . .
C14 C 0.696(3) -0.0965(17) 0.3604(10) 0.171(16) Uani 1 1 d . . . . .
H14 H 0.749579 -0.112298 0.343697 0.206 Uiso 1 1 calc R U . . .
C5 C 0.640(3) -0.1419(15) 0.3673(10) 0.145(11) Uani 1 1 d . . . . .
H5 H 0.656745 -0.189562 0.357529 0.174 Uiso 1 1 calc R U . . .
C26 C 0.6640(18) 0.1471(16) 0.5125(8) 0.123(8) Uani 1 1 d . U . . .
H26 H 0.666493 0.190791 0.523411 0.148 Uiso 1 1 calc R U . . .
C27 C 0.556(2) -0.1150(19) 0.3901(10) 0.144(10) Uani 1 1 d . . . . .
H27 H 0.513451 -0.143131 0.393387 0.172 Uiso 1 1 calc R U . . .
Au1 Au 0.6664(3) 0.13759(10) 0.20976(4) 0.0653(6) Uani 0.777(13) 1 d . . P A 1
S1 S 1.0380(8) 0.2484(7) 0.5435(4) 0.193(4) Uani 1 1 d D U . . .
O11 O 1.090(2) 0.2547(19) 0.5020(7) 0.240(9) Uani 1 1 d D U . . .
O38 O 1.005(2) 0.3160(16) 0.5667(11) 0.264(10) Uani 1 1 d D U . . .
F17 F 1.1362(19) 0.1119(17) 0.5496(9) 0.252(8) Uani 1 1 d D U . . .
F19 F 1.183(2) 0.2026(17) 0.5731(9) 0.249(8) Uani 1 1 d D U . . .
F47 F 1.072(2) 0.1621(18) 0.6083(10) 0.262(8) Uani 1 1 d D U . . .
C2 C 1.113(2) 0.1746(16) 0.5692(10) 0.252(7) Uani 1 1 d D U . . .
S2 S 0.8787(13) 0.2165(12) 0.5748(7) 0.308(7) Uani 1 1 d D U . . .
N16 N 0.9575(18) 0.219(2) 0.5380(10) 0.245(8) Uani 1 1 d D U . . .
O8 O 0.905(2) 0.235(2) 0.6099(9) 0.254(10) Uani 1 1 d D U . . .
O13 O 0.837(2) 0.1581(18) 0.5658(11) 0.252(10) Uani 1 1 d D U . . .
C3 C 0.7944(17) 0.2900(15) 0.5552(8) 0.314(9) Uani 1 1 d D U . . .
F1 F 0.7214(15) 0.2850(19) 0.5832(10) 0.329(10) Uani 1 1 d D U . . .
F59 F 0.795(2) 0.2788(19) 0.5155(8) 0.324(10) Uani 1 1 d D U . . .
F60 F 0.820(2) 0.3549(13) 0.5556(11) 0.345(10) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au2 Au02 2.8424(8) . ?
Au2 Au06 2.7577(7) . ?
Au2 Au0A 2.8254(8) . ?
Au2 Au0C 3.1462(9) . ?
Au2 C00N 2.122(13) . ?
Au2 C00O 2.157(12) . ?
Au02 Au03 3.2066(8) . ?
Au02 Au09 3.1859(9) . ?
Au02 Au0A 2.6539(8) . ?
Au02 Au0B 2.8636(9) . ?
Au02 C00N 2.175(14) . ?
Au02 C00Q 2.038(16) . ?
Au03 Au04 2.7831(8) . ?
Au03 Au0B 2.8528(9) . ?
Au03 Au0C 2.7019(9) . ?
Au03 C013 2.150(15) . ?
Au03 C018 2.043(14) . ?
Au04 Au08 2.7236(8) . ?
Au04 Au0C 2.9652(10) . ?
Au04 Au 2.914(11) . ?
Au04 C013 2.152(14) . ?
Au04 C019 2.129(13) . ?
Au04 Au1 3.245(2) . ?
Au05 Au07 2.7469(7) . ?
Au05 Au09 2.8776(8) . ?
Au05 Au0A 3.2173(10) . ?
Au05 C00T 2.189(15) . ?
Au05 C00X 2.122(15) . ?
Au05 Au1 2.867(5) . ?
Au06 Au08 3.3276(8) . ?
Au06 Au0A 2.7251(8) . ?
Au06 Au0E 2.6130(9) . ?
Au06 C00O 2.176(15) . ?
Au06 C00R 2.035(14) . ?
Au07 Au08 3.2131(9) . ?
Au07 Au 2.805(9) . ?
Au07 Au0E 2.8054(11) . ?
Au07 C00T 2.116(14) . ?
Au07 C00W 2.039(13) . ?
Au07 Au1 2.5955(17) . ?
Au08 Au0C 2.7396(9) . ?
Au08 Au0E 2.9069(11) . ?
Au08 C019 2.212(17) . ?
Au08 C01C 2.037(15) . ?
Au09 Au0B 2.6412(8) . ?
Au09 Au 3.115(13) . ?
Au09 C00Q 2.698(15) . ?
Au09 C00V 2.033(16) . ?
Au09 C00X 2.234(17) . ?
Au09 Au1 2.696(3) . ?
Au0A P00F 2.262(4) . ?
Au0B P00G 2.261(3) . ?
Au0B C00V 2.626(14) . ?
Au0C P00H 2.266(4) . ?
Au P00I 2.065(6) . ?
Au C00W 2.615(16) . ?
Au0E P00J 2.253(4) . ?
P00F C01Z 1.789(14) . ?
P00F C022 1.785(18) . ?
P00F C037 1.815(14) . ?
P00G C010 1.798(16) . ?
P00G C01E 1.765(18) . ?
P00G C02L 1.816(17) . ?
P00H C01P 1.831(17) . ?
P00H C01R 1.763(18) . ?
P00H C03R 1.809(9) . ?
P00I C020 1.820(17) . ?
P00I C031 1.749(17) . ?
P00I C03G 1.76(2) . ?
P00I Au1 2.326(6) . ?
P00J C02R 1.82(2) . ?
P00J C02X 1.79(2) . ?
P00J C04B 1.79(2) . ?
S00K O00S 1.399(15) . ?
S00K O01I 1.443(15) . ?
S00K N04D 1.55(2) . ?
S00K C7 1.87(3) . ?
S00L O038 1.453(18) . ?
S00L O03U 1.461(19) . ?
S00L N04D 1.57(2) . ?
S00L C4 1.73(3) . ?
C00N C00Z 1.476(19) . ?
C00N C018 1.400(19) . ?
C00O C00P 1.41(2) . ?
C00O C01C 1.424(19) . ?
C00P C011 1.44(2) . ?
C00P C01K 1.43(2) . ?
C00Q C00U 1.409(19) . ?
C00Q C00X 1.42(2) . ?
C00R C00T 1.36(2) . ?
C00R C015 1.40(2) . ?
C00T C01Q 1.48(2) . ?
C00U H00U 0.9300 . ?
C00U C023 1.39(2) . ?
C00V C013 1.38(2) . ?
C00V C017 1.46(2) . ?
C00W C012 1.462(19) . ?
C00W C019 1.374(19) . ?
C00X C01A 1.41(2) . ?
C00Y C017 1.42(2) . ?
C00Y C028 1.47(2) . ?
C00Y C02D 1.41(2) . ?
C00Z C01W 1.42(2) . ?
C00Z C026 1.41(2) . ?
C010 C014 1.42(2) . ?
C010 C01H 1.37(2) . ?
C011 C01O 1.46(2) . ?
C011 C032 1.36(2) . ?
C012 H012 0.9300 . ?
C012 C01Y 1.341(18) . ?
C013 C01F 1.47(2) . ?
C014 H014 0.9300 . ?
C014 C021 1.40(2) . ?
C015 H015 0.9300 . ?
C015 C01B 1.41(2) . ?
C016 H016 0.9300 . ?
C016 C01C 1.389(19) . ?
C016 C01O 1.37(2) . ?
C017 H017 0.9300 . ?
C018 C01G 1.421(18) . ?
C019 C01S 1.47(2) . ?
C01A C02I 1.39(2) . ?
C01A C03Q 1.44(3) . ?
C01B C01N 1.41(3) . ?
C01B C02K 1.50(2) . ?
F01D C7 1.35(3) . ?
C01E C01U 1.43(2) . ?
C01E C045 1.37(2) . ?
C01F C024 1.43(2) . ?
C01F C02D 1.44(2) . ?
C01G H01G 0.9300 . ?
C01G C01J 1.35(2) . ?
C01H H01H 0.9300 . ?
C01H C02F 1.38(2) . ?
C01J C01W 1.41(2) . ?
C01J C036 1.51(2) . ?
C01K H01K 0.9300 . ?
C01K C02M 1.41(2) . ?
C01L H01L 0.9300 . ?
C01L C01P 1.39(2) . ?
C01L C042 1.29(2) . ?
C01M H01M 0.9300 . ?
C01M C022 1.41(2) . ?
C01M C04G 1.38(3) . ?
C01N C01Q 1.44(2) . ?
C01N C02T 1.44(2) . ?
C01O C03S 1.52(2) . ?
C01P C02V 1.43(3) . ?
C01Q C040 1.40(3) . ?
C01R C02B 1.42(3) . ?
C01R C03V 1.38(2) . ?
C01S C01V 1.43(2) . ?
C01S C030 1.38(2) . ?
F01T C7 1.22(3) . ?
C01U H01U 0.9300 . ?
C01U C04P 1.38(3) . ?
C01V C01Y 1.440(19) . ?
C01V C03C 1.42(2) . ?
C01W C02C 1.40(2) . ?
F01X C4 1.41(3) . ?
C01Y C03N 1.50(2) . ?
C01Z C02U 1.35(2) . ?
C01Z C048 1.39(2) . ?
C020 C025 1.41(2) . ?
C020 C03Y 1.37(3) . ?
C021 H021 0.9300 . ?
C021 C02A 1.41(2) . ?
C022 C02Y 1.44(2) . ?
C023 C02I 1.46(2) . ?
C023 C02P 1.480(19) . ?
C024 H024 0.9300 . ?
C024 C03L 1.31(2) . ?
C025 H025 0.9300 . ?
C025 C04S 1.39(2) . ?
C026 H026 0.9300 . ?
C026 C052 1.38(2) . ?
C027 H027 0.9300 . ?
C027 C02L 1.38(2) . ?
C027 C03H 1.37(2) . ?
C028 C03P 1.41(2) . ?
C028 C03Z 1.40(2) . ?
C02A H02A 0.9300 . ?
C02A C02F 1.32(3) . ?
C02B H02B 0.9300 . ?
C02B C04A 1.40(3) . ?
C02C H02C 0.9300 . ?
C02C C03T 1.35(3) . ?
C02D C041 1.43(2) . ?
C02E H02E 0.9300 . ?
C02E C02H 1.35(3) . ?
C02E C02L 1.40(2) . ?
C02F H02F 0.9300 . ?
F02G C4 1.32(3) . ?
C02H H02H 0.9300 . ?
C02H C03M 1.40(3) . ?
C02I C03W 1.43(2) . ?
C02J H02J 0.9300 . ?
C02J C03A 1.40(3) . ?
C02J C03Q 1.36(3) . ?
C02K C035 1.43(2) . ?
C02K C047 1.38(3) . ?
C02M H02M 0.9300 . ?
C02M C03F 1.37(2) . ?
F02N C7 1.37(3) . ?
F02O C4 1.37(3) . ?
C02P C034 1.36(3) . ?
C02P C04F 1.44(3) . ?
C02Q H02Q 0.9300 . ?
C02Q C037 1.38(2) . ?
C02Q C053 1.42(2) . ?
C02R C02W 1.38(3) . ?
C02R C03D 1.40(3) . ?
C02S H02S 0.9300 . ?
C02S C02T 1.37(3) . ?
C02S C04Q 1.42(3) . ?
C02T H02T 0.9300 . ?
C02U H02U 0.9300 . ?
C02U C03K 1.43(2) . ?
C02V H02V 0.9300 . ?
C02V C050 1.36(3) . ?
C02W H02W 0.9300 . ?
C02W C04N 1.38(3) . ?
C02X C04O 1.28(3) . ?
C02X C04W 1.39(3) . ?
C02Y H02Y 0.9300 . ?
C02Y C04I 1.41(3) . ?
C02Z H02Z 0.9300 . ?
C02Z C037 1.38(2) . ?
C02Z C03X 1.38(3) . ?
C030 H030 0.9300 . ?
C030 C04E 1.42(2) . ?
C031 C04U 1.48(3) . ?
C031 C058 1.35(3) . ?
C032 H032 0.9300 . ?
C032 C03F 1.35(2) . ?
C034 H034 0.9300 . ?
C034 C05C 1.40(3) . ?
C035 H035 0.9300 . ?
C035 C03O 1.38(3) . ?
C036 C04M 1.38(3) . ?
C036 C04Z 1.40(3) . ?
C039 H039 0.9300 . ?
C039 C03E 1.35(3) . ?
C039 C03Z 1.41(3) . ?
C03A H03A 0.9300 . ?
C03A C03W 1.32(3) . ?
C03B H03B 0.9300 . ?
C03B C03C 1.40(2) . ?
C03B C04E 1.39(3) . ?
C03C H03C 0.9300 . ?
C03D H03D 0.9300 . ?
C03D C03J 1.40(3) . ?
C03E H03E 0.9300 . ?
C03E C046 1.36(3) . ?
C03F H03F 0.9300 . ?
C03G C04H 1.34(3) . ?
C03G C05G 1.44(2) . ?
C03H H03H 0.9300 . ?
C03H C03M 1.33(3) . ?
C03I H03I 0.9300 . ?
C03I C045 1.37(2) . ?
C03I C04J 1.36(3) . ?
C03J H03J 0.9300 . ?
C03J C04Y 1.38(3) . ?
C03K H03K 0.9300 . ?
C03K C04C 1.34(3) . ?
C03L H03L 0.9300 . ?
C03L C05B 1.44(3) . ?
C03M H03M 0.9300 . ?
C03N C04X 1.38(3) . ?
C03N C05H 1.37(2) . ?
C03O H03O 0.9300 . ?
C03O C6 1.44(3) . ?
C03P H03P 0.9300 . ?
C03P C046 1.39(3) . ?
C03Q H03Q 0.9300 . ?
C03S C049 1.38(3) . ?
C03S C37 1.34(3) . ?
C03T H03T 0.9300 . ?
C03T C052 1.42(2) . ?
C03V H03V 0.9300 . ?
C03V C11 1.37(4) . ?
C03W H03W 0.9300 . ?
C03X H03X 0.9300 . ?
C03X C04L 1.37(3) . ?
C03Y H03Y 0.9300 . ?
C03Y C055 1.33(3) . ?
C03Z H03Z 0.9300 . ?
C040 H040 0.9300 . ?
C040 C04Q 1.33(2) . ?
C041 H041 0.9300 . ?
C041 C05B 1.30(2) . ?
C042 H042 0.9300 . ?
C042 C05N 1.40(3) . ?
C043 H043 0.9300 . ?
C043 C04G 1.42(3) . ?
C043 C04I 1.41(3) . ?
C044 H044 0.9300 . ?
C044 C04B 1.38(3) . ?
C044 C14 1.43(4) . ?
C045 H045 0.9300 . ?
C046 H046 0.9300 . ?
C047 H047 0.9300 . ?
C047 C054 1.41(3) . ?
C048 H048 0.9300 . ?
C048 C9 1.32(3) . ?
C049 H049 0.9300 . ?
C049 C05M 1.38(3) . ?
C04A H04A 0.9300 . ?
C04A C05F 1.33(3) . ?
C04B C04K 1.39(3) . ?
C04C H04C 0.9300 . ?
C04C C9 1.38(3) . ?
C04E H04E 0.9300 . ?
C04F H04F 0.9300 . ?
C04F C05O 1.37(3) . ?
C04G H04G 0.9300 . ?
C04H H04H 0.9300 . ?
C04H C057 1.30(3) . ?
C04I H04I 0.9300 . ?
C04J H04J 0.9300 . ?
C04J C04P 1.47(3) . ?
C04K H04K 0.9300 . ?
C04K C27 1.35(4) . ?
C04L H04L 0.9300 . ?
C04L C053 1.38(3) . ?
C04M H04M 0.9300 . ?
C04M C38 1.34(3) . ?
C04N H04N 0.9300 . ?
C04N C04Y 1.39(3) . ?
C04O H04O 0.9300 . ?
C04O C26 1.47(4) . ?
C04P H04P 0.9300 . ?
C04Q H04Q 0.9300 . ?
C04S H04S 0.9300 . ?
C04S C056 1.45(3) . ?
C04U H04U 0.9300 . ?
C04U C33 1.32(3) . ?
C04W H04W 0.9300 . ?
C04W C12 1.36(3) . ?
C04X H04X 0.9300 . ?
C04X C051 1.39(3) . ?
C04Y H04Y 0.9300 . ?
C04Z H04Z 0.9300 . ?
C04Z C31 1.44(3) . ?
C050 H050 0.9300 . ?
C050 C05N 1.32(3) . ?
C051 H051 0.9300 . ?
C051 C059 1.34(3) . ?
C052 H052 0.9300 . ?
C053 H053 0.9300 . ?
C054 H054 0.9300 . ?
C054 C6 1.38(3) . ?
C055 H055 0.9300 . ?
C055 C056 1.35(3) . ?
C056 H056 0.9300 . ?
C057 H057 0.9300 . ?
C057 C1 1.27(3) . ?
C058 H058 0.9300 . ?
C058 C39 1.40(3) . ?
C059 H059 0.9300 . ?
C059 C05I 1.41(3) . ?
C05A H05A 0.9300 . ?
C05A C33 1.28(3) . ?
C05A C39 1.33(3) . ?
C05B H05B 0.9300 . ?
C05C H05C 0.9300 . ?
C05C C05L 1.40(4) . ?
C05F H05F 0.9300 . ?
C05F C11 1.36(4) . ?
C05G H05G 0.9300 . ?
C05G C25 1.41(4) . ?
C05H H05H 0.9300 . ?
C05H C05I 1.41(2) . ?
C05I H05I 0.9300 . ?
C05J H05J 0.9300 . ?
C05J C12 1.31(4) . ?
C05J C26 1.38(4) . ?
C05L H05L 0.9300 . ?
C05L C05O 1.48(4) . ?
C05M H05M 0.9300 . ?
C05M C41 1.38(5) . ?
C05N H05N 0.9300 . ?
C05O H05O 0.9300 . ?
C37 H37 0.9300 . ?
C37 C53 1.44(3) . ?
C41 H41 0.9300 . ?
C41 C53 1.31(5) . ?
C48 H48 0.9300 . ?
C48 C04V 1.3900 . ?
C48 C34 1.3900 . ?
C04V H04V 0.9300 . ?
C04V C04R 1.3900 . ?
C04R H04R 0.9300 . ?
C04R C033 1.3900 . ?
C033 H033 0.9300 . ?
C033 C03R 1.3900 . ?
C03R C34 1.3900 . ?
C34 H34 0.9300 . ?
C53 H53 0.9300 . ?
C6 H6 0.9300 . ?
C1 H1 0.9300 . ?
C1 C25 1.38(4) . ?
C9 H9 0.9300 . ?
C11 H11 0.9300 . ?
C24 H24 0.9300 . ?
C24 C31 1.34(5) . ?
C24 C38 1.33(6) . ?
C25 H25 0.9300 . ?
C31 H31 0.9300 . ?
C33 H33 0.9300 . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C12 H12 0.9300 . ?
C14 H14 0.9300 . ?
C14 C5 1.33(5) . ?
C5 H5 0.9300 . ?
C5 C27 1.43(4) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
S1 O11 1.475(18) . ?
S1 O38 1.467(18) . ?
S1 C2 1.846(19) . ?
S1 N16 1.565(18) . ?
F17 C2 1.326(19) . ?
F19 C2 1.381(19) . ?
F47 C2 1.360(19) . ?
S2 N16 1.583(18) . ?
S2 O8 1.412(18) . ?
S2 O13 1.478(18) . ?
S2 C3 1.839(18) . ?
C3 F1 1.362(11) . ?
C3 F59 1.352(11) . ?
C3 F60 1.358(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au02 Au2 Au0C 106.43(2) . . ?
Au06 Au2 Au02 102.80(3) . . ?
Au06 Au2 Au0A 58.42(2) . . ?
Au06 Au2 Au0C 107.11(2) . . ?
Au0A Au2 Au02 55.84(2) . . ?
Au0A Au2 Au0C 147.04(3) . . ?
C00N Au2 Au02 49.4(4) . . ?
C00N Au2 Au06 151.3(4) . . ?
C00N Au2 Au0A 94.7(4) . . ?
C00N Au2 Au0C 90.1(4) . . ?
C00N Au2 C00O 157.2(6) . . ?
C00O Au2 Au02 153.4(4) . . ?
C00O Au2 Au06 50.8(4) . . ?
C00O Au2 Au0A 103.3(4) . . ?
C00O Au2 Au0C 82.4(4) . . ?
Au2 Au02 Au03 71.02(2) . . ?
Au2 Au02 Au09 109.38(2) . . ?
Au2 Au02 Au0B 126.70(3) . . ?
Au09 Au02 Au03 65.123(19) . . ?
Au0A Au02 Au2 61.76(2) . . ?
Au0A Au02 Au03 126.47(2) . . ?
Au0A Au02 Au09 107.77(3) . . ?
Au0A Au02 Au0B 158.19(3) . . ?
Au0B Au02 Au03 55.72(2) . . ?
Au0B Au02 Au09 51.438(19) . . ?
C00N Au02 Au2 47.8(4) . . ?
C00N Au02 Au03 63.2(4) . . ?
C00N Au02 Au09 128.1(3) . . ?
C00N Au02 Au0A 98.4(4) . . ?
C00N Au02 Au0B 100.6(4) . . ?
C00Q Au02 Au2 142.1(4) . . ?
C00Q Au02 Au03 120.1(4) . . ?
C00Q Au02 Au09 57.3(4) . . ?
C00Q Au02 Au0A 87.3(4) . . ?
C00Q Au02 Au0B 75.7(4) . . ?
C00Q Au02 C00N 169.5(5) . . ?
Au04 Au03 Au02 105.31(2) . . ?
Au04 Au03 Au0B 112.89(3) . . ?
Au0B Au03 Au02 56.04(2) . . ?
Au0C Au03 Au02 108.34(2) . . ?
Au0C Au03 Au04 65.43(2) . . ?
Au0C Au03 Au0B 164.03(3) . . ?
C013 Au03 Au02 116.3(4) . . ?
C013 Au03 Au04 49.7(4) . . ?
C013 Au03 Au0B 79.9(4) . . ?
C013 Au03 Au0C 107.3(4) . . ?
C018 Au03 Au02 62.2(4) . . ?
C018 Au03 Au04 143.8(3) . . ?
C018 Au03 Au0B 88.9(3) . . ?
C018 Au03 Au0C 85.6(3) . . ?
C018 Au03 C013 166.1(5) . . ?
Au03 Au04 Au0C 55.96(2) . . ?
Au03 Au04 Au 123.1(3) . . ?
Au03 Au04 Au1 112.56(7) . . ?
Au08 Au04 Au03 103.77(3) . . ?
Au08 Au04 Au0C 57.39(2) . . ?
Au08 Au04 Au 104.67(13) . . ?
Au08 Au04 Au1 101.12(4) . . ?
Au0C Au04 Au1 144.73(8) . . ?
Au Au04 Au0C 156.3(3) . . ?
C013 Au04 Au03 49.7(4) . . ?
C013 Au04 Au08 153.4(4) . . ?
C013 Au04 Au0C 98.8(4) . . ?
C013 Au04 Au 94.1(4) . . ?
C013 Au04 Au1 92.7(4) . . ?
C019 Au04 Au03 156.0(5) . . ?
C019 Au04 Au08 52.5(4) . . ?
C019 Au04 Au0C 102.0(5) . . ?
C019 Au04 Au 72.5(5) . . ?
C019 Au04 C013 153.8(6) . . ?
C019 Au04 Au1 79.3(4) . . ?
Au07 Au05 Au09 100.93(2) . . ?
Au07 Au05 Au0A 111.49(3) . . ?
Au07 Au05 Au1 55.02(4) . . ?
Au09 Au05 Au0A 101.60(2) . . ?
C00T Au05 Au07 49.2(4) . . ?
C00T Au05 Au09 150.1(4) . . ?
C00T Au05 Au0A 91.1(5) . . ?
C00T Au05 Au1 98.4(4) . . ?
C00X Au05 Au07 150.5(5) . . ?
C00X Au05 Au09 50.4(5) . . ?
C00X Au05 Au0A 84.4(5) . . ?
C00X Au05 C00T 159.2(6) . . ?
C00X Au05 Au1 97.2(5) . . ?
Au1 Au05 Au09 55.98(3) . . ?
Au1 Au05 Au0A 143.43(4) . . ?
Au2 Au06 Au08 73.29(2) . . ?
Au0A Au06 Au2 62.03(2) . . ?
Au0A Au06 Au08 123.15(2) . . ?
Au0E Au06 Au2 129.14(3) . . ?
Au0E Au06 Au08 57.08(3) . . ?
Au0E Au06 Au0A 157.43(4) . . ?
C00O Au06 Au2 50.2(3) . . ?
C00O Au06 Au08 62.7(4) . . ?
C00O Au06 Au0A 106.1(3) . . ?
C00O Au06 Au0E 93.8(3) . . ?
C00R Au06 Au2 146.5(4) . . ?
C00R Au06 Au08 111.8(4) . . ?
C00R Au06 Au0A 90.8(3) . . ?
C00R Au06 Au0E 70.7(3) . . ?
C00R Au06 C00O 162.6(5) . . ?
Au05 Au07 Au08 106.95(2) . . ?
Au05 Au07 Au 80.1(4) . . ?
Au05 Au07 Au0E 115.51(3) . . ?
Au Au07 Au08 95.5(3) . . ?
Au Au07 Au0E 150.9(4) . . ?
Au0E Au07 Au08 57.28(3) . . ?
C00T Au07 Au05 51.5(4) . . ?
C00T Au07 Au08 119.0(5) . . ?
C00T Au07 Au 125.6(7) . . ?
C00T Au07 Au0E 80.8(5) . . ?
C00T Au07 Au1 109.3(5) . . ?
C00W Au07 Au05 138.4(3) . . ?
C00W Au07 Au08 61.3(4) . . ?
C00W Au07 Au 63.0(6) . . ?
C00W Au07 Au0E 92.1(4) . . ?
C00W Au07 C00T 170.1(5) . . ?
C00W Au07 Au1 79.4(4) . . ?
Au1 Au07 Au05 64.84(11) . . ?
Au1 Au07 Au08 104.93(5) . . ?
Au1 Au07 Au0E 162.08(5) . . ?
Au04 Au08 Au06 109.85(2) . . ?
Au04 Au08 Au07 76.42(2) . . ?
Au04 Au08 Au0C 65.74(2) . . ?
Au04 Au08 Au0E 130.67(3) . . ?
Au07 Au08 Au06 63.167(19) . . ?
Au0C Au08 Au06 102.77(2) . . ?
Au0C Au08 Au07 132.11(3) . . ?
Au0C Au08 Au0E 148.59(3) . . ?
Au0E Au08 Au06 48.99(2) . . ?
Au0E Au08 Au07 54.29(2) . . ?
C019 Au08 Au04 49.8(3) . . ?
C019 Au08 Au06 126.2(4) . . ?
C019 Au08 Au07 63.6(4) . . ?
C019 Au08 Au0C 107.1(3) . . ?
C019 Au08 Au0E 102.2(4) . . ?
C01C Au08 Au04 140.6(4) . . ?
C01C Au08 Au06 58.1(4) . . ?
C01C Au08 Au07 118.1(4) . . ?
C01C Au08 Au0C 80.0(4) . . ?
C01C Au08 Au0E 73.0(4) . . ?
C01C Au08 C019 169.1(5) . . ?
Au05 Au09 Au02 74.10(2) . . ?
Au05 Au09 Au 73.1(3) . . ?
Au0B Au09 Au02 57.97(2) . . ?
Au0B Au09 Au05 131.24(3) . . ?
Au0B Au09 Au 146.1(4) . . ?
Au0B Au09 C00Q 70.4(3) . . ?
Au0B Au09 Au1 159.27(9) . . ?
Au Au09 Au02 130.13(8) . . ?
C00Q Au09 Au02 39.4(3) . . ?
C00Q Au09 Au05 66.9(3) . . ?
C00Q Au09 Au 139.9(4) . . ?
C00V Au09 Au02 110.3(4) . . ?
C00V Au09 Au05 147.2(4) . . ?
C00V Au09 Au0B 66.9(4) . . ?
C00V Au09 Au 80.9(5) . . ?
C00V Au09 C00Q 137.2(5) . . ?
C00V Au09 C00X 165.3(5) . . ?
C00V Au09 Au1 94.1(4) . . ?
C00X Au09 Au02 65.5(4) . . ?
C00X Au09 Au05 47.0(4) . . ?
C00X Au09 Au0B 100.4(4) . . ?
C00X Au09 Au 112.8(5) . . ?
C00X Au09 C00Q 31.7(5) . . ?
C00X Au09 Au1 99.5(4) . . ?
Au1 Au09 Au02 127.06(5) . . ?
Au1 Au09 Au05 61.82(8) . . ?
Au1 Au09 C00Q 127.6(3) . . ?
Au2 Au0A Au05 96.18(2) . . ?
Au02 Au0A Au2 62.40(2) . . ?
Au02 Au0A Au05 76.49(2) . . ?
Au02 Au0A Au06 108.91(3) . . ?
Au06 Au0A Au2 59.55(2) . . ?
Au06 Au0A Au05 72.71(2) . . ?
P00F Au0A Au2 153.86(12) . . ?
P00F Au0A Au02 132.39(9) . . ?
P00F Au0A Au05 107.91(12) . . ?
P00F Au0A Au06 117.73(9) . . ?
Au03 Au0B Au02 68.24(2) . . ?
Au09 Au0B Au02 70.59(2) . . ?
Au09 Au0B Au03 77.44(2) . . ?
P00G Au0B Au02 121.73(11) . . ?
P00G Au0B Au03 113.92(11) . . ?
P00G Au0B Au09 165.12(11) . . ?
P00G Au0B C00V 129.6(3) . . ?
C00V Au0B Au02 104.2(3) . . ?
C00V Au0B Au03 63.0(3) . . ?
C00V Au0B Au09 45.4(3) . . ?
Au03 Au0C Au2 73.72(2) . . ?
Au03 Au0C Au04 58.61(2) . . ?
Au03 Au0C Au08 105.54(3) . . ?
Au04 Au0C Au2 93.03(2) . . ?
Au08 Au0C Au2 76.58(2) . . ?
Au08 Au0C Au04 56.87(2) . . ?
P00H Au0C Au2 109.79(12) . . ?
P00H Au0C Au03 128.47(10) . . ?
P00H Au0C Au04 157.11(12) . . ?
P00H Au0C Au08 125.61(10) . . ?
Au04 Au Au09 70.27(10) . . ?
Au07 Au Au04 80.40(12) . . ?
Au07 Au Au09 94.1(5) . . ?
P00I Au Au04 134.7(7) . . ?
P00I Au Au07 144.6(6) . . ?
P00I Au Au09 101.7(4) . . ?
P00I Au C00W 135.4(7) . . ?
C00W Au Au04 66.4(4) . . ?
C00W Au Au07 44.0(3) . . ?
C00W Au Au09 122.8(4) . . ?
Au06 Au0E Au07 78.38(3) . . ?
Au06 Au0E Au08 73.93(3) . . ?
Au07 Au0E Au08 68.43(2) . . ?
P00J Au0E Au06 161.09(14) . . ?
P00J Au0E Au07 119.09(15) . . ?
P00J Au0E Au08 117.72(13) . . ?
C01Z P00F Au0A 112.9(5) . . ?
C01Z P00F C037 107.9(8) . . ?
C022 P00F Au0A 109.0(6) . . ?
C022 P00F C01Z 109.1(8) . . ?
C022 P00F C037 106.2(8) . . ?
C037 P00F Au0A 111.5(5) . . ?
C010 P00G Au0B 110.9(5) . . ?
C010 P00G C02L 107.1(7) . . ?
C01E P00G Au0B 114.9(6) . . ?
C01E P00G C010 107.3(8) . . ?
C01E P00G C02L 108.3(8) . . ?
C02L P00G Au0B 107.9(5) . . ?
C01P P00H Au0C 115.1(5) . . ?
C01R P00H Au0C 109.7(6) . . ?
C01R P00H C01P 105.6(8) . . ?
C01R P00H C03R 105.7(7) . . ?
C03R P00H Au0C 114.2(4) . . ?
C03R P00H C01P 105.8(7) . . ?
C020 P00I Au 126.6(6) . . ?
C020 P00I Au1 115.1(6) . . ?
C031 P00I Au 113.7(7) . . ?
C031 P00I C020 106.0(8) . . ?
C031 P00I C03G 108.8(8) . . ?
C031 P00I Au1 107.3(7) . . ?
C03G P00I Au 92.2(10) . . ?
C03G P00I C020 107.5(10) . . ?
C03G P00I Au1 111.8(8) . . ?
C02R P00J Au0E 109.5(5) . . ?
C02X P00J Au0E 111.2(8) . . ?
C02X P00J C02R 109.6(10) . . ?
C04B P00J Au0E 111.1(6) . . ?
C04B P00J C02R 108.5(9) . . ?
C04B P00J C02X 106.9(10) . . ?
O00S S00K O01I 119.0(11) . . ?
O00S S00K N04D 117.9(10) . . ?
O00S S00K C7 103.3(11) . . ?
O01I S00K N04D 106.7(11) . . ?
O01I S00K C7 105.5(13) . . ?
N04D S00K C7 102.4(12) . . ?
O038 S00L O03U 118.5(14) . . ?
O038 S00L N04D 117.0(11) . . ?
O038 S00L C4 107.2(13) . . ?
O03U S00L N04D 111.8(14) . . ?
O03U S00L C4 99.3(14) . . ?
N04D S00L C4 99.3(13) . . ?
Au2 C00N Au02 82.8(5) . . ?
C00Z C00N Au2 115.1(9) . . ?
C00Z C00N Au02 116.0(9) . . ?
C018 C00N Au2 112.7(9) . . ?
C018 C00N Au02 105.8(10) . . ?
C018 C00N C00Z 118.7(12) . . ?
Au2 C00O Au06 79.1(5) . . ?
C00P C00O Au2 116.6(9) . . ?
C00P C00O Au06 115.9(9) . . ?
C00P C00O C01C 118.0(12) . . ?
C01C C00O Au2 117.4(9) . . ?
C01C C00O Au06 102.2(10) . . ?
C00O C00P C011 123.3(13) . . ?
C00O C00P C01K 120.1(13) . . ?
C01K C00P C011 116.2(14) . . ?
Au02 C00Q Au09 83.3(5) . . ?
C00U C00Q Au02 120.8(11) . . ?
C00U C00Q Au09 126.9(10) . . ?
C00U C00Q C00X 116.5(14) . . ?
C00X C00Q Au02 122.2(11) . . ?
C00X C00Q Au09 55.8(9) . . ?
C00T C00R Au06 119.9(10) . . ?
C00T C00R C015 121.2(15) . . ?
C015 C00R Au06 118.9(13) . . ?
Au07 C00T Au05 79.3(5) . . ?
C00R C00T Au05 113.1(11) . . ?
C00R C00T Au07 111.2(11) . . ?
C00R C00T C01Q 117.5(14) . . ?
C01Q C00T Au05 113.6(12) . . ?
C01Q C00T Au07 116.3(12) . . ?
C00Q C00U H00U 118.0 . . ?
C023 C00U C00Q 124.0(13) . . ?
C023 C00U H00U 118.0 . . ?
Au09 C00V Au0B 67.7(4) . . ?
C013 C00V Au09 120.9(11) . . ?
C013 C00V Au0B 104.6(10) . . ?
C013 C00V C017 119.2(15) . . ?
C017 C00V Au09 119.9(11) . . ?
C017 C00V Au0B 100.5(8) . . ?
Au07 C00W Au 72.9(6) . . ?
C012 C00W Au07 119.5(9) . . ?
C012 C00W Au 108.6(9) . . ?
C019 C00W Au07 120.4(11) . . ?
C019 C00W Au 94.6(9) . . ?
C019 C00W C012 119.7(12) . . ?
Au05 C00X Au09 82.6(5) . . ?
C00Q C00X Au05 119.4(12) . . ?
C00Q C00X Au09 92.5(10) . . ?
C01A C00X Au05 116.5(12) . . ?
C01A C00X Au09 114.1(12) . . ?
C01A C00X C00Q 120.3(14) . . ?
C017 C00Y C028 116.5(14) . . ?
C02D C00Y C017 122.2(14) . . ?
C02D C00Y C028 121.2(13) . . ?
C01W C00Z C00N 119.9(13) . . ?
C026 C00Z C00N 120.7(13) . . ?
C026 C00Z C01W 119.5(14) . . ?
C014 C010 P00G 117.5(11) . . ?
C01H C010 P00G 124.3(14) . . ?
C01H C010 C014 118.1(15) . . ?
C00P C011 C01O 114.7(14) . . ?
C032 C011 C00P 122.0(15) . . ?
C032 C011 C01O 123.2(15) . . ?
C00W C012 H012 119.1 . . ?
C01Y C012 C00W 121.9(12) . . ?
C01Y C012 H012 119.1 . . ?
Au03 C013 Au04 80.6(5) . . ?
C00V C013 Au03 106.7(11) . . ?
C00V C013 Au04 112.8(10) . . ?
C00V C013 C01F 121.6(14) . . ?
C01F C013 Au03 114.6(10) . . ?
C01F C013 Au04 113.1(10) . . ?
C010 C014 H014 119.5 . . ?
C021 C014 C010 121.0(15) . . ?
C021 C014 H014 119.5 . . ?
C00R C015 H015 118.5 . . ?
C00R C015 C01B 123.0(18) . . ?
C01B C015 H015 118.5 . . ?
C01C C016 H016 118.6 . . ?
C01O C016 H016 118.6 . . ?
C01O C016 C01C 122.9(15) . . ?
C00V C017 H017 120.2 . . ?
C00Y C017 C00V 119.6(15) . . ?
C00Y C017 H017 120.2 . . ?
C00N C018 Au03 117.0(10) . . ?
C00N C018 C01G 118.9(13) . . ?
C01G C018 Au03 123.6(11) . . ?
Au04 C019 Au08 77.7(5) . . ?
C00W C019 Au04 118.6(10) . . ?
C00W C019 Au08 103.3(10) . . ?
C00W C019 C01S 119.9(13) . . ?
C01S C019 Au04 111.2(9) . . ?
C01S C019 Au08 118.6(11) . . ?
C00X C01A C03Q 121.2(16) . . ?
C02I C01A C00X 123.5(15) . . ?
C02I C01A C03Q 115.4(15) . . ?
C015 C01B C01N 118.4(15) . . ?
C015 C01B C02K 119.1(18) . . ?
C01N C01B C02K 122.5(14) . . ?
C00O C01C Au08 121.0(10) . . ?
C016 C01C Au08 118.6(11) . . ?
C016 C01C C00O 119.4(14) . . ?
C01U C01E P00G 121.7(15) . . ?
C045 C01E P00G 121.2(12) . . ?
C045 C01E C01U 117.1(17) . . ?
C024 C01F C013 122.2(14) . . ?
C024 C01F C02D 118.9(13) . . ?
C02D C01F C013 118.9(14) . . ?
C018 C01G H01G 119.0 . . ?
C01J C01G C018 122.0(14) . . ?
C01J C01G H01G 119.0 . . ?
C010 C01H H01H 120.2 . . ?
C010 C01H C02F 119.6(17) . . ?
C02F C01H H01H 120.2 . . ?
C01G C01J C01W 122.5(14) . . ?
C01G C01J C036 117.8(15) . . ?
C01W C01J C036 119.7(14) . . ?
C00P C01K H01K 120.1 . . ?
C02M C01K C00P 119.9(15) . . ?
C02M C01K H01K 120.1 . . ?
C01P C01L H01L 118.9 . . ?
C042 C01L H01L 118.9 . . ?
C042 C01L C01P 122.2(19) . . ?
C022 C01M H01M 118.2 . . ?
C04G C01M H01M 118.2 . . ?
C04G C01M C022 123.6(15) . . ?
C01B C01N C01Q 118.4(14) . . ?
C01B C01N C02T 124.1(17) . . ?
C01Q C01N C02T 117.5(19) . . ?
C011 C01O C03S 122.0(16) . . ?
C016 C01O C011 121.1(14) . . ?
C016 C01O C03S 116.9(16) . . ?
C01L C01P P00H 122.0(12) . . ?
C01L C01P C02V 116.6(16) . . ?
C02V C01P P00H 121.3(14) . . ?
C01N C01Q C00T 120.9(17) . . ?
C040 C01Q C00T 121.0(16) . . ?
C040 C01Q C01N 117.6(15) . . ?
C02B C01R P00H 117.3(13) . . ?
C03V C01R P00H 126.6(16) . . ?
C03V C01R C02B 116.1(18) . . ?
C01V C01S C019 118.2(13) . . ?
C030 C01S C019 121.2(14) . . ?
C030 C01S C01V 120.5(14) . . ?
C01E C01U H01U 118.2 . . ?
C04P C01U C01E 124(2) . . ?
C04P C01U H01U 118.2 . . ?
C01S C01V C01Y 120.1(12) . . ?
C03C C01V C01S 117.6(14) . . ?
C03C C01V C01Y 122.2(13) . . ?
C01J C01W C00Z 117.8(14) . . ?
C02C C01W C00Z 116.8(15) . . ?
C02C C01W C01J 125.4(15) . . ?
C012 C01Y C01V 119.9(12) . . ?
C012 C01Y C03N 120.5(13) . . ?
C01V C01Y C03N 119.5(12) . . ?
C02U C01Z P00F 125.2(14) . . ?
C02U C01Z C048 117.0(15) . . ?
C048 C01Z P00F 117.8(12) . . ?
C025 C020 P00I 115.3(13) . . ?
C03Y C020 P00I 124.7(14) . . ?
C03Y C020 C025 120.0(17) . . ?
C014 C021 H021 121.1 . . ?
C014 C021 C02A 117.9(18) . . ?
C02A C021 H021 121.1 . . ?
C01M C022 P00F 120.2(12) . . ?
C01M C022 C02Y 117.4(16) . . ?
C02Y C022 P00F 120.5(14) . . ?
C00U C023 C02I 119.3(12) . . ?
C00U C023 C02P 118.8(14) . . ?
C02I C023 C02P 121.9(14) . . ?
C01F C024 H024 119.3 . . ?
C03L C024 C01F 121.4(17) . . ?
C03L C024 H024 119.3 . . ?
C020 C025 H025 120.6 . . ?
C04S C025 C020 118.8(18) . . ?
C04S C025 H025 120.6 . . ?
C00Z C026 H026 119.5 . . ?
C052 C026 C00Z 121.0(15) . . ?
C052 C026 H026 119.5 . . ?
C02L C027 H027 120.2 . . ?
C03H C027 H027 120.2 . . ?
C03H C027 C02L 119.6(19) . . ?
C03P C028 C00Y 120.2(15) . . ?
C03Z C028 C00Y 122.1(15) . . ?
C03Z C028 C03P 117.2(17) . . ?
C021 C02A H02A 120.1 . . ?
C02F C02A C021 119.8(18) . . ?
C02F C02A H02A 120.1 . . ?
C01R C02B H02B 119.9 . . ?
C04A C02B C01R 120.3(19) . . ?
C04A C02B H02B 119.9 . . ?
C01W C02C H02C 117.6 . . ?
C03T C02C C01W 124.9(16) . . ?
C03T C02C H02C 117.6 . . ?
C00Y C02D C01F 118.5(13) . . ?
C00Y C02D C041 124.9(15) . . ?
C041 C02D C01F 116.4(15) . . ?
C02H C02E H02E 120.6 . . ?
C02H C02E C02L 118.8(17) . . ?
C02L C02E H02E 120.6 . . ?
C01H C02F H02F 118.2 . . ?
C02A C02F C01H 123.5(18) . . ?
C02A C02F H02F 118.2 . . ?
C02E C02H H02H 119.1 . . ?
C02E C02H C03M 121.9(19) . . ?
C03M C02H H02H 119.1 . . ?
C01A C02I C023 116.5(14) . . ?
C01A C02I C03W 120.6(15) . . ?
C03W C02I C023 122.9(15) . . ?
C03A C02J H02J 119.0 . . ?
C03Q C02J H02J 119.0 . . ?
C03Q C02J C03A 122(2) . . ?
C035 C02K C01B 119.3(16) . . ?
C047 C02K C01B 120.3(14) . . ?
C047 C02K C035 120.2(16) . . ?
C027 C02L P00G 118.9(13) . . ?
C027 C02L C02E 119.0(16) . . ?
C02E C02L P00G 122.0(13) . . ?
C01K C02M H02M 120.3 . . ?
C03F C02M C01K 119.4(16) . . ?
C03F C02M H02M 120.3 . . ?
C034 C02P C023 120.4(16) . . ?
C034 C02P C04F 119.2(15) . . ?
C04F C02P C023 120.2(16) . . ?
C037 C02Q H02Q 120.6 . . ?
C037 C02Q C053 118.8(17) . . ?
C053 C02Q H02Q 120.6 . . ?
C02W C02R P00J 117.7(14) . . ?
C02W C02R C03D 120(2) . . ?
C03D C02R P00J 121.4(17) . . ?
C02T C02S H02S 120.1 . . ?
C02T C02S C04Q 119.8(18) . . ?
C04Q C02S H02S 120.1 . . ?
C01N C02T H02T 119.4 . . ?
C02S C02T C01N 121.2(19) . . ?
C02S C02T H02T 119.4 . . ?
C01Z C02U H02U 119.8 . . ?
C01Z C02U C03K 120.4(17) . . ?
C03K C02U H02U 119.8 . . ?
C01P C02V H02V 120.6 . . ?
C050 C02V C01P 119(2) . . ?
C050 C02V H02V 120.6 . . ?
C02R C02W H02W 119.9 . . ?
C04N C02W C02R 120(2) . . ?
C04N C02W H02W 119.9 . . ?
C04O C02X P00J 117(2) . . ?
C04O C02X C04W 121(2) . . ?
C04W C02X P00J 121.1(18) . . ?
C022 C02Y H02Y 121.0 . . ?
C04I C02Y C022 118.0(16) . . ?
C04I C02Y H02Y 121.0 . . ?
C037 C02Z H02Z 120.4 . . ?
C037 C02Z C03X 119.2(19) . . ?
C03X C02Z H02Z 120.4 . . ?
C01S C030 H030 119.3 . . ?
C01S C030 C04E 121.5(16) . . ?
C04E C030 H030 119.3 . . ?
C04U C031 P00I 121.7(13) . . ?
C058 C031 P00I 124.2(14) . . ?
C058 C031 C04U 112.5(17) . . ?
C011 C032 H032 120.3 . . ?
C03F C032 C011 119.5(16) . . ?
C03F C032 H032 120.3 . . ?
C02P C034 H034 118.6 . . ?
C02P C034 C05C 123(2) . . ?
C05C C034 H034 118.6 . . ?
C02K C035 H035 120.8 . . ?
C03O C035 C02K 118.4(19) . . ?
C03O C035 H035 120.8 . . ?
C04M C036 C01J 124(2) . . ?
C04M C036 C04Z 119.2(19) . . ?
C04Z C036 C01J 116.6(19) . . ?
C02Q C037 P00F 117.1(13) . . ?
C02Q C037 C02Z 121.1(15) . . ?
C02Z C037 P00F 121.8(12) . . ?
C03E C039 H039 118.8 . . ?
C03E C039 C03Z 122.3(19) . . ?
C03Z C039 H039 118.8 . . ?
C02J C03A H03A 120.8 . . ?
C03W C03A C02J 118.3(19) . . ?
C03W C03A H03A 120.8 . . ?
C03C C03B H03B 119.3 . . ?
C04E C03B H03B 119.3 . . ?
C04E C03B C03C 121.3(16) . . ?
C01V C03C H03C 119.7 . . ?
C03B C03C C01V 120.6(16) . . ?
C03B C03C H03C 119.7 . . ?
C02R C03D H03D 120.8 . . ?
C03J C03D C02R 118(2) . . ?
C03J C03D H03D 120.8 . . ?
C039 C03E H03E 121.0 . . ?
C039 C03E C046 118.1(19) . . ?
C046 C03E H03E 121.0 . . ?
C02M C03F H03F 118.5 . . ?
C032 C03F C02M 123.0(17) . . ?
C032 C03F H03F 118.5 . . ?
C04H C03G P00I 124.5(15) . . ?
C04H C03G C05G 113(2) . . ?
C05G C03G P00I 120.1(17) . . ?
C027 C03H H03H 118.6 . . ?
C03M C03H C027 122.8(19) . . ?
C03M C03H H03H 118.6 . . ?
C045 C03I H03I 120.3 . . ?
C04J C03I H03I 120.3 . . ?
C04J C03I C045 119.3(18) . . ?
C03D C03J H03J 119.1 . . ?
C04Y C03J C03D 122(2) . . ?
C04Y C03J H03J 119.1 . . ?
C02U C03K H03K 120.1 . . ?
C04C C03K C02U 119.8(17) . . ?
C04C C03K H03K 120.1 . . ?
C024 C03L H03L 120.4 . . ?
C024 C03L C05B 119.2(19) . . ?
C05B C03L H03L 120.4 . . ?
C02H C03M H03M 121.1 . . ?
C03H C03M C02H 117.8(18) . . ?
C03H C03M H03M 121.1 . . ?
C04X C03N C01Y 120.4(15) . . ?
C05H C03N C01Y 120.4(16) . . ?
C05H C03N C04X 119.2(16) . . ?
C035 C03O H03O 119.6 . . ?
C035 C03O C6 120.7(19) . . ?
C6 C03O H03O 119.6 . . ?
C028 C03P H03P 119.7 . . ?
C046 C03P C028 120.6(18) . . ?
C046 C03P H03P 119.7 . . ?
C01A C03Q H03Q 119.4 . . ?
C02J C03Q C01A 121.2(19) . . ?
C02J C03Q H03Q 119.4 . . ?
C049 C03S C01O 119(2) . . ?
C37 C03S C01O 123(2) . . ?
C37 C03S C049 117(2) . . ?
C02C C03T H03T 121.0 . . ?
C02C C03T C052 118.0(16) . . ?
C052 C03T H03T 121.0 . . ?
C01R C03V H03V 119.6 . . ?
C11 C03V C01R 121(2) . . ?
C11 C03V H03V 119.6 . . ?
C02I C03W H03W 118.8 . . ?
C03A C03W C02I 122.4(18) . . ?
C03A C03W H03W 118.8 . . ?
C02Z C03X H03X 119.5 . . ?
C04L C03X C02Z 121(2) . . ?
C04L C03X H03X 119.5 . . ?
C020 C03Y H03Y 118.8 . . ?
C055 C03Y C020 122(2) . . ?
C055 C03Y H03Y 118.8 . . ?
C028 C03Z C039 119.6(19) . . ?
C028 C03Z H03Z 120.2 . . ?
C039 C03Z H03Z 120.2 . . ?
C01Q C040 H040 117.8 . . ?
C04Q C040 C01Q 124(2) . . ?
C04Q C040 H040 117.8 . . ?
C02D C041 H041 119.3 . . ?
C05B C041 C02D 121.4(16) . . ?
C05B C041 H041 119.3 . . ?
C01L C042 H042 120.0 . . ?
C01L C042 C05N 120(2) . . ?
C05N C042 H042 120.0 . . ?
C04G C043 H043 121.4 . . ?
C04I C043 H043 121.4 . . ?
C04I C043 C04G 117.2(18) . . ?
C04B C044 H044 121.7 . . ?
C04B C044 C14 117(3) . . ?
C14 C044 H044 121.7 . . ?
C01E C045 H045 118.6 . . ?
C03I C045 C01E 122.9(16) . . ?
C03I C045 H045 118.6 . . ?
C03E C046 C03P 121.7(18) . . ?
C03E C046 H046 119.1 . . ?
C03P C046 H046 119.1 . . ?
C02K C047 H047 119.3 . . ?
C02K C047 C054 121.4(19) . . ?
C054 C047 H047 119.3 . . ?
C01Z C048 H048 118.3 . . ?
C9 C048 C01Z 123.4(19) . . ?
C9 C048 H048 118.3 . . ?
C03S C049 H049 118.6 . . ?
C03S C049 C05M 123(3) . . ?
C05M C049 H049 118.6 . . ?
C02B C04A H04A 119.2 . . ?
C05F C04A C02B 122(2) . . ?
C05F C04A H04A 119.2 . . ?
C044 C04B P00J 117.0(18) . . ?
C044 C04B C04K 119(2) . . ?
C04K C04B P00J 123.5(17) . . ?
C03K C04C H04C 120.3 . . ?
C03K C04C C9 119.4(19) . . ?
C9 C04C H04C 120.3 . . ?
S00K N04D S00L 126.1(14) . . ?
C030 C04E H04E 120.9 . . ?
C03B C04E C030 118.3(16) . . ?
C03B C04E H04E 120.9 . . ?
C02P C04F H04F 119.1 . . ?
C05O C04F C02P 122(2) . . ?
C05O C04F H04F 119.1 . . ?
C01M C04G C043 119.7(18) . . ?
C01M C04G H04G 120.1 . . ?
C043 C04G H04G 120.1 . . ?
C03G C04H H04H 115.5 . . ?
C057 C04H C03G 129(2) . . ?
C057 C04H H04H 115.5 . . ?
C02Y C04I C043 123.6(16) . . ?
C02Y C04I H04I 118.2 . . ?
C043 C04I H04I 118.2 . . ?
C03I C04J H04J 119.0 . . ?
C03I C04J C04P 122(2) . . ?
C04P C04J H04J 119.0 . . ?
C04B C04K H04K 118.6 . . ?
C27 C04K C04B 123(3) . . ?
C27 C04K H04K 118.6 . . ?
C03X C04L H04L 120.0 . . ?
C03X C04L C053 120.0(17) . . ?
C053 C04L H04L 120.0 . . ?
C036 C04M H04M 117.7 . . ?
C38 C04M C036 125(3) . . ?
C38 C04M H04M 117.7 . . ?
C02W C04N H04N 119.4 . . ?
C02W C04N C04Y 121(2) . . ?
C04Y C04N H04N 119.4 . . ?
C02X C04O H04O 118.9 . . ?
C02X C04O C26 122(3) . . ?
C26 C04O H04O 118.9 . . ?
C01U C04P C04J 114.5(19) . . ?
C01U C04P H04P 122.8 . . ?
C04J C04P H04P 122.8 . . ?
C02S C04Q H04Q 120.3 . . ?
C040 C04Q C02S 119(2) . . ?
C040 C04Q H04Q 120.3 . . ?
C025 C04S H04S 121.0 . . ?
C025 C04S C056 118.1(19) . . ?
C056 C04S H04S 121.0 . . ?
C031 C04U H04U 119.2 . . ?
C33 C04U C031 122(2) . . ?
C33 C04U H04U 119.2 . . ?
C02X C04W H04W 120.4 . . ?
C12 C04W C02X 119(3) . . ?
C12 C04W H04W 120.4 . . ?
C03N C04X H04X 119.4 . . ?
C03N C04X C051 121.3(17) . . ?
C051 C04X H04X 119.4 . . ?
C03J C04Y C04N 118(2) . . ?
C03J C04Y H04Y 121.0 . . ?
C04N C04Y H04Y 121.0 . . ?
C036 C04Z H04Z 123.9 . . ?
C036 C04Z C31 112(3) . . ?
C31 C04Z H04Z 123.9 . . ?
C02V C050 H050 119.4 . . ?
C05N C050 C02V 121(2) . . ?
C05N C050 H050 119.4 . . ?
C04X C051 H051 119.9 . . ?
C059 C051 C04X 120.2(19) . . ?
C059 C051 H051 119.9 . . ?
C026 C052 C03T 119.9(16) . . ?
C026 C052 H052 120.1 . . ?
C03T C052 H052 120.1 . . ?
C02Q C053 H053 120.1 . . ?
C04L C053 C02Q 119.8(17) . . ?
C04L C053 H053 120.1 . . ?
C047 C054 H054 120.5 . . ?
C6 C054 C047 119(2) . . ?
C6 C054 H054 120.5 . . ?
C03Y C055 H055 119.8 . . ?
C03Y C055 C056 120(2) . . ?
C056 C055 H055 119.8 . . ?
C04S C056 H056 119.8 . . ?
C055 C056 C04S 120(2) . . ?
C055 C056 H056 119.8 . . ?
C04H C057 H057 120.6 . . ?
C1 C057 C04H 119(3) . . ?
C1 C057 H057 120.6 . . ?
C031 C058 H058 120.4 . . ?
C031 C058 C39 119(2) . . ?
C39 C058 H058 120.4 . . ?
C051 C059 H059 120.1 . . ?
C051 C059 C05I 119.9(19) . . ?
C05I C059 H059 120.1 . . ?
C33 C05A H05A 120.8 . . ?
C33 C05A C39 118(2) . . ?
C39 C05A H05A 120.8 . . ?
C03L C05B H05B 118.8 . . ?
C041 C05B C03L 122.3(18) . . ?
C041 C05B H05B 118.8 . . ?
C034 C05C H05C 120.8 . . ?
C034 C05C C05L 118(2) . . ?
C05L C05C H05C 120.8 . . ?
C04A C05F H05F 120.7 . . ?
C04A C05F C11 119(2) . . ?
C11 C05F H05F 120.7 . . ?
C03G C05G H05G 121.4 . . ?
C25 C05G C03G 117(2) . . ?
C25 C05G H05G 121.4 . . ?
C03N C05H H05H 120.1 . . ?
C03N C05H C05I 119.9(19) . . ?
C05I C05H H05H 120.1 . . ?
C059 C05I C05H 119.4(18) . . ?
C059 C05I H05I 120.3 . . ?
C05H C05I H05I 120.3 . . ?
C12 C05J H05J 117.1 . . ?
C12 C05J C26 126(3) . . ?
C26 C05J H05J 117.1 . . ?
C05C C05L H05L 119.7 . . ?
C05C C05L C05O 121(2) . . ?
C05O C05L H05L 119.7 . . ?
C049 C05M H05M 122.1 . . ?
C41 C05M C049 116(3) . . ?
C41 C05M H05M 122.1 . . ?
C042 C05N H05N 119.7 . . ?
C050 C05N C042 121(2) . . ?
C050 C05N H05N 119.7 . . ?
C04F C05O C05L 117(2) . . ?
C04F C05O H05O 121.5 . . ?
C05L C05O H05O 121.5 . . ?
C03S C37 H37 118.3 . . ?
C03S C37 C53 123(3) . . ?
C53 C37 H37 118.3 . . ?
C05M C41 H41 117.2 . . ?
C53 C41 C05M 126(3) . . ?
C53 C41 H41 117.2 . . ?
C04V C48 H48 120.0 . . ?
C04V C48 C34 120.0 . . ?
C34 C48 H48 120.0 . . ?
C48 C04V H04V 120.0 . . ?
C04R C04V C48 120.0 . . ?
C04R C04V H04V 120.0 . . ?
C04V C04R H04R 120.0 . . ?
C04V C04R C033 120.0 . . ?
C033 C04R H04R 120.0 . . ?
C04R C033 H033 120.0 . . ?
C03R C033 C04R 120.0 . . ?
C03R C033 H033 120.0 . . ?
C033 C03R P00H 118.5(7) . . ?
C34 C03R P00H 121.4(7) . . ?
C34 C03R C033 120.0 . . ?
C48 C34 H34 120.0 . . ?
C03R C34 C48 120.0 . . ?
C03R C34 H34 120.0 . . ?
C37 C53 H53 122.5 . . ?
C41 C53 C37 115(3) . . ?
C41 C53 H53 122.5 . . ?
F01X C4 S00L 110.3(18) . . ?
F02G C4 S00L 113(2) . . ?
F02G C4 F01X 108(2) . . ?
F02G C4 F02O 112(2) . . ?
F02O C4 S00L 113(2) . . ?
F02O C4 F01X 99(2) . . ?
F01D C7 S00K 106.1(19) . . ?
F01D C7 F02N 103(2) . . ?
F01T C7 S00K 114(2) . . ?
F01T C7 F01D 113(2) . . ?
F01T C7 F02N 113(3) . . ?
F02N C7 S00K 106.4(19) . . ?
C03O C6 H6 120.1 . . ?
C054 C6 C03O 120(2) . . ?
C054 C6 H6 120.1 . . ?
C057 C1 H1 119.3 . . ?
C057 C1 C25 121(2) . . ?
C25 C1 H1 119.2 . . ?
C048 C9 C04C 120(2) . . ?
C048 C9 H9 120.0 . . ?
C04C C9 H9 120.0 . . ?
C03V C11 H11 118.7 . . ?
C05F C11 C03V 123(3) . . ?
C05F C11 H11 118.7 . . ?
C31 C24 H24 120.9 . . ?
C38 C24 H24 120.9 . . ?
C38 C24 C31 118(3) . . ?
C05G C25 H25 120.2 . . ?
C1 C25 C05G 120(2) . . ?
C1 C25 H25 120.2 . . ?
C04Z C31 H31 116.9 . . ?
C24 C31 C04Z 126(3) . . ?
C24 C31 H31 116.9 . . ?
C04U C33 H33 119.0 . . ?
C05A C33 C04U 122(2) . . ?
C05A C33 H33 119.0 . . ?
C04M C38 H38 120.7 . . ?
C24 C38 C04M 119(4) . . ?
C24 C38 H38 120.7 . . ?
C058 C39 H39 118.1 . . ?
C05A C39 C058 124(2) . . ?
C05A C39 H39 118.1 . . ?
C04W C12 H12 120.5 . . ?
C05J C12 C04W 119(3) . . ?
C05J C12 H12 120.5 . . ?
C044 C14 H14 118.1 . . ?
C5 C14 C044 124(3) . . ?
C5 C14 H14 118.1 . . ?
C14 C5 H5 121.0 . . ?
C14 C5 C27 118(3) . . ?
C27 C5 H5 121.0 . . ?
C04O C26 H26 124.0 . . ?
C05J C26 C04O 112(3) . . ?
C05J C26 H26 124.0 . . ?
C04K C27 C5 119(3) . . ?
C04K C27 H27 120.4 . . ?
C5 C27 H27 120.4 . . ?
Au05 Au1 Au04 94.28(6) . . ?
Au07 Au1 Au04 77.53(4) . . ?
Au07 Au1 Au05 60.13(8) . . ?
Au07 Au1 Au09 110.14(12) . . ?
Au09 Au1 Au04 70.86(3) . . ?
Au09 Au1 Au05 62.21(9) . . ?
P00I Au1 Au04 110.45(18) . . ?
P00I Au1 Au05 149.26(18) . . ?
P00I Au1 Au07 141.36(17) . . ?
P00I Au1 Au09 108.09(11) . . ?
O11 S1 C2 101.8(19) . . ?
O11 S1 N16 106.0(19) . . ?
O38 S1 O11 118(2) . . ?
O38 S1 C2 113(2) . . ?
O38 S1 N16 107(2) . . ?
N16 S1 C2 110(2) . . ?
F17 C2 S1 112(2) . . ?
F17 C2 F19 113(3) . . ?
F17 C2 F47 110(3) . . ?
F19 C2 S1 108(2) . . ?
F47 C2 S1 108(2) . . ?
F47 C2 F19 105(3) . . ?
N16 S2 C3 99.4(19) . . ?
O8 S2 N16 106(3) . . ?
O8 S2 O13 135(3) . . ?
O8 S2 C3 114(2) . . ?
O13 S2 N16 106(2) . . ?
O13 S2 C3 90.9(19) . . ?
S1 N16 S2 121(2) . . ?
F1 C3 S2 102.6(14) . . ?
F59 C3 S2 108.8(15) . . ?
F59 C3 F1 118(2) . . ?
F59 C3 F60 107(2) . . ?
F60 C3 S2 105.7(15) . . ?
F60 C3 F1 114(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 C00N C00Z C01W -137.6(12) . . . . ?
Au2 C00N C00Z C026 41.5(17) . . . . ?
Au2 C00N C018 Au03 -49.9(12) . . . . ?
Au2 C00N C018 C01G 137.7(11) . . . . ?
Au2 C00O C00P C011 157.1(11) . . . . ?
Au2 C00O C00P C01K -30.6(17) . . . . ?
Au2 C00O C01C Au08 37.1(15) . . . . ?
Au2 C00O C01C C016 -154.0(12) . . . . ?
Au02 C00N C00Z C01W 128.1(13) . . . . ?
Au02 C00N C00Z C026 -52.7(17) . . . . ?
Au02 C00N C018 Au03 38.8(10) . . . . ?
Au02 C00N C018 C01G -133.6(11) . . . . ?
Au02 C00Q C00U C023 -171.3(12) . . . . ?
Au02 C00Q C00X Au05 -29.4(18) . . . . ?
Au02 C00Q C00X Au09 53.6(12) . . . . ?
Au02 C00Q C00X C01A 173.5(12) . . . . ?
Au03 C013 C01F C024 -49.4(16) . . . . ?
Au03 C013 C01F C02D 131.7(11) . . . . ?
Au03 C018 C01G C01J -168.3(12) . . . . ?
Au04 C013 C01F C024 40.7(17) . . . . ?
Au04 C013 C01F C02D -138.3(11) . . . . ?
Au04 C019 C01S C01V 143.1(13) . . . . ?
Au04 C019 C01S C030 -33(2) . . . . ?
Au05 C00T C01Q C01N 138.6(11) . . . . ?
Au05 C00T C01Q C040 -49.5(17) . . . . ?
Au05 C00X C01A C02I -160.3(13) . . . . ?
Au05 C00X C01A C03Q 17(2) . . . . ?
Au06 C00O C00P C011 -112.5(14) . . . . ?
Au06 C00O C00P C01K 59.8(15) . . . . ?
Au06 C00O C01C Au08 -46.7(11) . . . . ?
Au06 C00O C01C C016 122.2(13) . . . . ?
Au06 C00R C00T Au05 44.6(13) . . . . ?
Au06 C00R C00T Au07 -42.5(13) . . . . ?
Au06 C00R C00T C01Q 180.0(9) . . . . ?
Au06 C00R C015 C01B -179.1(11) . . . . ?
Au07 C00T C01Q C01N -132.0(13) . . . . ?
Au07 C00T C01Q C040 39.9(18) . . . . ?
Au07 C00W C012 C01Y 172.8(11) . . . . ?
Au07 C00W C019 Au04 44.4(16) . . . . ?
Au07 C00W C019 Au08 -38.7(11) . . . . ?
Au07 C00W C019 C01S -173.5(11) . . . . ?
Au08 C019 C01S C01V -129.8(14) . . . . ?
Au08 C019 C01S C030 54.3(19) . . . . ?
Au09 C00Q C00U C023 -65.2(19) . . . . ?
Au09 C00Q C00X Au05 -82.9(10) . . . . ?
Au09 C00Q C00X C01A 119.9(18) . . . . ?
Au09 C00V C013 Au03 49.3(12) . . . . ?
Au09 C00V C013 Au04 -37.3(14) . . . . ?
Au09 C00V C013 C01F -176.6(10) . . . . ?
Au09 C00V C017 C00Y 175.2(9) . . . . ?
Au09 C00X C01A C02I 105.8(15) . . . . ?
Au09 C00X C01A C03Q -76.7(18) . . . . ?
Au0A P00F C01Z C02U 140.0(13) . . . . ?
Au0A P00F C01Z C048 -37.1(16) . . . . ?
Au0A P00F C022 C01M -60.5(14) . . . . ?
Au0A P00F C022 C02Y 103.7(14) . . . . ?
Au0A P00F C037 C02Q -35.6(17) . . . . ?
Au0A P00F C037 C02Z 147.3(13) . . . . ?
Au0B P00G C010 C014 -38.7(14) . . . . ?
Au0B P00G C010 C01H 137.0(13) . . . . ?
Au0B P00G C01E C01U 150.4(14) . . . . ?
Au0B P00G C01E C045 -31.5(17) . . . . ?
Au0B P00G C02L C027 -43.2(13) . . . . ?
Au0B P00G C02L C02E 136.4(11) . . . . ?
Au0B C00V C013 Au03 -23.1(9) . . . . ?
Au0B C00V C013 Au04 -109.8(8) . . . . ?
Au0B C00V C013 C01F 110.9(13) . . . . ?
Au0B C00V C017 C00Y -114.6(11) . . . . ?
Au0C P00H C01P C01L 24.6(16) . . . . ?
Au0C P00H C01P C02V -154.6(13) . . . . ?
Au0C P00H C01R C02B 62.0(14) . . . . ?
Au0C P00H C01R C03V -117.0(16) . . . . ?
Au0C P00H C03R C033 4.5(9) . . . . ?
Au0C P00H C03R C34 -171.8(7) . . . . ?
Au P00I C020 C025 52.5(17) . . . . ?
Au P00I C020 C03Y -125.1(17) . . . . ?
Au P00I C031 C04U 21(2) . . . . ?
Au P00I C031 C058 -144(2) . . . . ?
Au P00I C03G C04H 57(2) . . . . ?
Au P00I C03G C05G -105(2) . . . . ?
Au C00W C012 C01Y -106.7(14) . . . . ?
Au C00W C019 Au04 -28.4(12) . . . . ?
Au C00W C019 Au08 -111.5(7) . . . . ?
Au C00W C019 C01S 113.6(14) . . . . ?
Au0E P00J C02R C02W 60.1(14) . . . . ?
Au0E P00J C02R C03D -109.4(14) . . . . ?
Au0E P00J C02X C04O 41(2) . . . . ?
Au0E P00J C02X C04W -130.1(17) . . . . ?
Au0E P00J C04B C044 39.0(18) . . . . ?
Au0E P00J C04B C04K -137.2(17) . . . . ?
P00F C01Z C02U C03K -179.7(14) . . . . ?
P00F C01Z C048 C9 178.7(19) . . . . ?
P00F C022 C02Y C04I -171.7(14) . . . . ?
P00G C010 C014 C021 178.0(13) . . . . ?
P00G C010 C01H C02F -178.1(13) . . . . ?
P00G C01E C01U C04P 174.0(18) . . . . ?
P00G C01E C045 C03I 178.2(16) . . . . ?
P00H C01P C02V C050 -173.0(16) . . . . ?
P00H C01R C02B C04A -178.2(13) . . . . ?
P00H C01R C03V C11 179.3(18) . . . . ?
P00H C03R C34 C48 176.3(10) . . . . ?
P00I C020 C025 C04S -178.0(15) . . . . ?
P00I C020 C03Y C055 177.7(18) . . . . ?
P00I C031 C04U C33 176(2) . . . . ?
P00I C031 C058 C39 172(3) . . . . ?
P00I C03G C04H C057 -171(2) . . . . ?
P00I C03G C05G C25 170(2) . . . . ?
P00J C02R C02W C04N -174.8(15) . . . . ?
P00J C02R C03D C03J 173.9(15) . . . . ?
P00J C02X C04O C26 -177(2) . . . . ?
P00J C02X C04W C12 175(2) . . . . ?
P00J C04B C04K C27 175(2) . . . . ?
C00N C00Z C01W C01J -2(2) . . . . ?
C00N C00Z C01W C02C 177.2(16) . . . . ?
C00N C00Z C026 C052 -179.0(15) . . . . ?
C00N C018 C01G C01J 4(2) . . . . ?
C00O C00P C011 C01O -8(2) . . . . ?
C00O C00P C011 C032 175.3(15) . . . . ?
C00O C00P C01K C02M -176.1(14) . . . . ?
C00P C00O C01C Au08 -175.0(10) . . . . ?
C00P C00O C01C C016 -6(2) . . . . ?
C00P C011 C01O C016 4(2) . . . . ?
C00P C011 C01O C03S -178.6(16) . . . . ?
C00P C011 C032 C03F -1(3) . . . . ?
C00P C01K C02M C03F 2(3) . . . . ?
C00Q C00U C023 C02I -2(2) . . . . ?
C00Q C00U C023 C02P 175.3(15) . . . . ?
C00Q C00X C01A C02I -3(3) . . . . ?
C00Q C00X C01A C03Q 174.9(16) . . . . ?
C00R C00T C01Q C01N 3(2) . . . . ?
C00R C00T C01Q C040 175.3(14) . . . . ?
C00R C015 C01B C01N -5(2) . . . . ?
C00R C015 C01B C02K 176.2(13) . . . . ?
O00S S00K N04D S00L 8(2) . . . . ?
O00S S00K C7 F01D 64(2) . . . . ?
O00S S00K C7 F01T -61(2) . . . . ?
O00S S00K C7 F02N 172.7(18) . . . . ?
C00T C00R C015 C01B 1(2) . . . . ?
C00T C01Q C040 C04Q -171.3(17) . . . . ?
C00U C00Q C00X Au05 158.8(11) . . . . ?
C00U C00Q C00X Au09 -118.2(12) . . . . ?
C00U C00Q C00X C01A 2(2) . . . . ?
C00U C023 C02I C01A 1(2) . . . . ?
C00U C023 C02I C03W -179.1(16) . . . . ?
C00U C023 C02P C034 52(2) . . . . ?
C00U C023 C02P C04F -122.0(18) . . . . ?
C00V C013 C01F C024 179.8(13) . . . . ?
C00V C013 C01F C02D 1(2) . . . . ?
C00W C012 C01Y C01V 3(2) . . . . ?
C00W C012 C01Y C03N -176.2(14) . . . . ?
C00W C019 C01S C01V -2(2) . . . . ?
C00W C019 C01S C030 -177.5(16) . . . . ?
C00X C00Q C00U C023 1(2) . . . . ?
C00X C01A C02I C023 1(2) . . . . ?
C00X C01A C02I C03W -178.6(17) . . . . ?
C00X C01A C03Q C02J 178.9(18) . . . . ?
C00Y C028 C03P C046 -175.4(17) . . . . ?
C00Y C028 C03Z C039 174.4(16) . . . . ?
C00Y C02D C041 C05B 179.0(15) . . . . ?
C00Z C00N C018 Au03 171.3(10) . . . . ?
C00Z C00N C018 C01G -1.1(19) . . . . ?
C00Z C01W C02C C03T 3(3) . . . . ?
C00Z C026 C052 C03T 1(3) . . . . ?
C010 P00G C01E C01U 26.5(18) . . . . ?
C010 P00G C01E C045 -155.3(15) . . . . ?
C010 P00G C02L C027 76.2(13) . . . . ?
C010 P00G C02L C02E -104.1(13) . . . . ?
C010 C014 C021 C02A -2(3) . . . . ?
C010 C01H C02F C02A 3(3) . . . . ?
C011 C00P C01K C02M -3(2) . . . . ?
C011 C01O C03S C049 128(2) . . . . ?
C011 C01O C03S C37 -60(3) . . . . ?
C011 C032 C03F C02M 0(3) . . . . ?
C012 C00W C019 Au04 -142.9(11) . . . . ?
C012 C00W C019 Au08 134.0(11) . . . . ?
C012 C00W C019 C01S -1(2) . . . . ?
C012 C01Y C03N C04X -55(2) . . . . ?
C012 C01Y C03N C05H 127(2) . . . . ?
C013 C00V C017 C00Y -1.3(19) . . . . ?
C013 C01F C024 C03L 179.8(14) . . . . ?
C013 C01F C02D C00Y -0.1(19) . . . . ?
C013 C01F C02D C041 -175.2(13) . . . . ?
C014 C010 C01H C02F -2(2) . . . . ?
C014 C021 C02A C02F 2(3) . . . . ?
C015 C00R C00T Au05 -135.9(11) . . . . ?
C015 C00R C00T Au07 137.0(11) . . . . ?
C015 C00R C00T C01Q 0(2) . . . . ?
C015 C01B C01N C01Q 8(2) . . . . ?
C015 C01B C01N C02T -172.2(14) . . . . ?
C015 C01B C02K C035 -130.6(17) . . . . ?
C015 C01B C02K C047 46(2) . . . . ?
C016 C01O C03S C049 -55(2) . . . . ?
C016 C01O C03S C37 118(2) . . . . ?
C017 C00V C013 Au03 -134.3(11) . . . . ?
C017 C00V C013 Au04 139.1(10) . . . . ?
C017 C00V C013 C01F 0(2) . . . . ?
C017 C00Y C028 C03P 123.3(17) . . . . ?
C017 C00Y C028 C03Z -49(2) . . . . ?
C017 C00Y C02D C01F -1(2) . . . . ?
C017 C00Y C02D C041 173.3(14) . . . . ?
C018 C00N C00Z C01W 0(2) . . . . ?
C018 C00N C00Z C026 179.4(14) . . . . ?
C018 C01G C01J C01W -5(3) . . . . ?
C018 C01G C01J C036 175.9(16) . . . . ?
C019 C00W C012 C01Y 0(2) . . . . ?
C019 C01S C01V C01Y 5(2) . . . . ?
C019 C01S C01V C03C -171.4(16) . . . . ?
C019 C01S C030 C04E 174.1(17) . . . . ?
C01A C02I C03W C03A -2(3) . . . . ?
C01B C01N C01Q C00T -7(2) . . . . ?
C01B C01N C01Q C040 -179.2(14) . . . . ?
C01B C01N C02T C02S 178.4(16) . . . . ?
C01B C02K C035 C03O 175.1(17) . . . . ?
C01B C02K C047 C054 -170.8(19) . . . . ?
C01C C00O C00P C011 9(2) . . . . ?
C01C C00O C00P C01K -178.7(13) . . . . ?
C01C C016 C01O C011 -2(3) . . . . ?
C01C C016 C01O C03S -179.2(16) . . . . ?
C01E P00G C010 C014 87.6(14) . . . . ?
C01E P00G C010 C01H -96.7(15) . . . . ?
C01E P00G C02L C027 -168.3(12) . . . . ?
C01E P00G C02L C02E 11.4(14) . . . . ?
C01E C01U C04P C04J 10(3) . . . . ?
C01F C024 C03L C05B -3(2) . . . . ?
C01F C02D C041 C05B -6(2) . . . . ?
C01G C01J C01W C00Z 4(3) . . . . ?
C01G C01J C01W C02C -174.6(18) . . . . ?
C01G C01J C036 C04M -126(2) . . . . ?
C01G C01J C036 C04Z 51(3) . . . . ?
C01H C010 C014 C021 2(2) . . . . ?
O01I S00K N04D S00L 144.6(17) . . . . ?
O01I S00K C7 F01D -62(2) . . . . ?
O01I S00K C7 F01T 173(2) . . . . ?
O01I S00K C7 F02N 47(2) . . . . ?
C01J C01W C02C C03T -179(2) . . . . ?
C01J C036 C04M C38 169(3) . . . . ?
C01J C036 C04Z C31 -174.0(19) . . . . ?
C01K C00P C011 C01O 179.6(14) . . . . ?
C01K C00P C011 C032 3(2) . . . . ?
C01K C02M C03F C032 0(3) . . . . ?
C01L C01P C02V C050 8(3) . . . . ?
C01L C042 C05N C050 1(3) . . . . ?
C01M C022 C02Y C04I -7(2) . . . . ?
C01N C01B C02K C035 51(2) . . . . ?
C01N C01B C02K C047 -133.0(18) . . . . ?
C01N C01Q C040 C04Q 1(3) . . . . ?
C01O C011 C032 C03F -177.5(17) . . . . ?
C01O C016 C01C Au08 171.9(13) . . . . ?
C01O C016 C01C C00O 3(2) . . . . ?
C01O C03S C049 C05M 175(2) . . . . ?
C01O C03S C37 C53 -180(2) . . . . ?
C01P P00H C01R C02B -62.6(15) . . . . ?
C01P P00H C01R C03V 118.4(17) . . . . ?
C01P P00H C03R C033 132.1(9) . . . . ?
C01P P00H C03R C34 -44.2(10) . . . . ?
C01P C01L C042 C05N 0(3) . . . . ?
C01P C02V C050 C05N -7(3) . . . . ?
C01Q C01N C02T C02S -1(2) . . . . ?
C01Q C040 C04Q C02S -2(3) . . . . ?
C01R P00H C01P C01L 145.8(15) . . . . ?
C01R P00H C01P C02V -33.4(17) . . . . ?
C01R P00H C03R C033 -116.2(9) . . . . ?
C01R P00H C03R C34 67.5(10) . . . . ?
C01R C02B C04A C05F -1(3) . . . . ?
C01R C03V C11 C05F -1(4) . . . . ?
C01S C01V C01Y C012 -6(2) . . . . ?
C01S C01V C01Y C03N 173.7(16) . . . . ?
C01S C01V C03C C03B -3(3) . . . . ?
C01S C030 C04E C03B -3(3) . . . . ?
C01U C01E C045 C03I -4(3) . . . . ?
C01V C01S C030 C04E -2(3) . . . . ?
C01V C01Y C03N C04X 126.0(19) . . . . ?
C01V C01Y C03N C05H -52(3) . . . . ?
C01W C00Z C026 C052 0(2) . . . . ?
C01W C01J C036 C04M 56(3) . . . . ?
C01W C01J C036 C04Z -128(2) . . . . ?
C01W C02C C03T C052 -1(3) . . . . ?
C01Y C01V C03C C03B -179.0(18) . . . . ?
C01Y C03N C04X C051 177.2(19) . . . . ?
C01Y C03N C05H C05I -179.3(19) . . . . ?
C01Z P00F C022 C01M 63.2(15) . . . . ?
C01Z P00F C022 C02Y -132.6(14) . . . . ?
C01Z P00F C037 C02Q -160.1(15) . . . . ?
C01Z P00F C037 C02Z 22.7(17) . . . . ?
C01Z C02U C03K C04C 0(3) . . . . ?
C01Z C048 C9 C04C 2(4) . . . . ?
C020 P00I C031 C04U 164.7(18) . . . . ?
C020 P00I C031 C058 0(2) . . . . ?
C020 P00I C03G C04H -72(2) . . . . ?
C020 P00I C03G C05G 126(2) . . . . ?
C020 C025 C04S C056 -1(3) . . . . ?
C020 C03Y C055 C056 2(4) . . . . ?
C021 C02A C02F C01H -2(3) . . . . ?
C022 P00F C01Z C02U 18.6(17) . . . . ?
C022 P00F C01Z C048 -158.4(15) . . . . ?
C022 P00F C037 C02Q 83.0(16) . . . . ?
C022 P00F C037 C02Z -94.1(16) . . . . ?
C022 C01M C04G C043 -5(3) . . . . ?
C022 C02Y C04I C043 5(3) . . . . ?
C023 C02I C03W C03A 177.9(19) . . . . ?
C023 C02P C034 C05C 179(2) . . . . ?
C023 C02P C04F C05O 177.4(19) . . . . ?
C024 C01F C02D C00Y -179.1(13) . . . . ?
C024 C01F C02D C041 5.8(19) . . . . ?
C024 C03L C05B C041 3(3) . . . . ?
C025 C020 C03Y C055 0(3) . . . . ?
C025 C04S C056 C055 3(3) . . . . ?
C026 C00Z C01W C01J 179.2(15) . . . . ?
C026 C00Z C01W C02C -2(2) . . . . ?
C027 C03H C03M C02H -2(3) . . . . ?
C028 C00Y C017 C00V -178.3(12) . . . . ?
C028 C00Y C02D C01F 179.1(12) . . . . ?
C028 C00Y C02D C041 -6(2) . . . . ?
C028 C03P C046 C03E 6(3) . . . . ?
C02B C01R C03V C11 0(3) . . . . ?
C02B C04A C05F C11 0(3) . . . . ?
C02C C03T C052 C026 -1(3) . . . . ?
C02D C00Y C017 C00V 2.1(19) . . . . ?
C02D C00Y C028 C03P -57(2) . . . . ?
C02D C00Y C028 C03Z 130.9(16) . . . . ?
C02D C01F C024 C03L -1(2) . . . . ?
C02D C041 C05B C03L 2(3) . . . . ?
C02E C02H C03M C03H 3(3) . . . . ?
C02H C02E C02L P00G -176.9(12) . . . . ?
C02H C02E C02L C027 3(2) . . . . ?
C02I C01A C03Q C02J -3(3) . . . . ?
C02I C023 C02P C034 -130.6(19) . . . . ?
C02I C023 C02P C04F 55(2) . . . . ?
C02J C03A C03W C02I 0(3) . . . . ?
C02K C01B C01N C01Q -173.6(13) . . . . ?
C02K C01B C01N C02T 6(2) . . . . ?
C02K C035 C03O C6 -3(3) . . . . ?
C02K C047 C054 C6 -5(3) . . . . ?
C02L P00G C010 C014 -156.3(13) . . . . ?
C02L P00G C010 C01H 19.4(16) . . . . ?
C02L P00G C01E C01U -88.8(16) . . . . ?
C02L P00G C01E C045 89.3(16) . . . . ?
C02L C027 C03H C03M 2(3) . . . . ?
C02L C02E C02H C03M -4(2) . . . . ?
C02P C023 C02I C01A -176.1(15) . . . . ?
C02P C023 C02I C03W 4(3) . . . . ?
C02P C034 C05C C05L 6(4) . . . . ?
C02P C04F C05O C05L 1(3) . . . . ?
C02R P00J C02X C04O -80(2) . . . . ?
C02R P00J C02X C04W 108.7(19) . . . . ?
C02R P00J C04B C044 159.4(16) . . . . ?
C02R P00J C04B C04K -17(2) . . . . ?
C02R C02W C04N C04Y 5(3) . . . . ?
C02R C03D C03J C04Y -4(3) . . . . ?
C02T C01N C01Q C00T 172.8(13) . . . . ?
C02T C01N C01Q C040 1(2) . . . . ?
C02T C02S C04Q C040 1(3) . . . . ?
C02U C01Z C048 C9 1(3) . . . . ?
C02U C03K C04C C9 3(3) . . . . ?
C02V C050 C05N C042 3(4) . . . . ?
C02W C02R C03D C03J 5(3) . . . . ?
C02W C04N C04Y C03J -4(3) . . . . ?
C02X P00J C02R C02W -177.7(14) . . . . ?
C02X P00J C02R C03D 12.8(17) . . . . ?
C02X P00J C04B C044 -82.4(18) . . . . ?
C02X P00J C04B C04K 101(2) . . . . ?
C02X C04O C26 C05J 6(4) . . . . ?
C02X C04W C12 C05J -4(4) . . . . ?
C02Z C03X C04L C053 -1(4) . . . . ?
C030 C01S C01V C01Y -179.2(16) . . . . ?
C030 C01S C01V C03C 5(3) . . . . ?
C031 P00I C020 C025 -84.7(15) . . . . ?
C031 P00I C020 C03Y 97.7(18) . . . . ?
C031 P00I C03G C04H 173(2) . . . . ?
C031 P00I C03G C05G 11(3) . . . . ?
C031 C04U C33 C05A 18(5) . . . . ?
C031 C058 C39 C05A 5(6) . . . . ?
C032 C011 C01O C016 -179.2(16) . . . . ?
C032 C011 C01O C03S -2(3) . . . . ?
C034 C02P C04F C05O 3(3) . . . . ?
C034 C05C C05L C05O -2(4) . . . . ?
C035 C02K C047 C054 5(3) . . . . ?
C035 C03O C6 C054 3(4) . . . . ?
C036 C01J C01W C00Z -177.0(17) . . . . ?
C036 C01J C01W C02C 4(3) . . . . ?
C036 C04M C38 C24 12(6) . . . . ?
C036 C04Z C31 C24 -2(4) . . . . ?
C037 P00F C01Z C02U -96.3(16) . . . . ?
C037 P00F C01Z C048 86.7(15) . . . . ?
C037 P00F C022 C01M 179.2(13) . . . . ?
C037 P00F C022 C02Y -16.5(16) . . . . ?
C037 C02Q C053 C04L 3(3) . . . . ?
C037 C02Z C03X C04L 2(3) . . . . ?
O038 S00L N04D S00K 16(2) . . . . ?
O038 S00L C4 F01X -60(2) . . . . ?
O038 S00L C4 F02G 179.1(18) . . . . ?
O038 S00L C4 F02O 50(2) . . . . ?
C039 C03E C046 C03P -7(3) . . . . ?
C03A C02J C03Q C01A 2(3) . . . . ?
C03C C01V C01Y C012 170.4(16) . . . . ?
C03C C01V C01Y C03N -10(3) . . . . ?
C03C C03B C04E C030 5(3) . . . . ?
C03D C02R C02W C04N -5(3) . . . . ?
C03D C03J C04Y C04N 3(4) . . . . ?
C03E C039 C03Z C028 -4(3) . . . . ?
C03G P00I C020 C025 159.1(14) . . . . ?
C03G P00I C020 C03Y -18.6(19) . . . . ?
C03G P00I C031 C04U -80(2) . . . . ?
C03G P00I C031 C058 115(2) . . . . ?
C03G C04H C057 C1 1(5) . . . . ?
C03G C05G C25 C1 1(5) . . . . ?
C03H C027 C02L P00G 178.0(12) . . . . ?
C03H C027 C02L C02E -2(2) . . . . ?
C03I C04J C04P C01U -8(4) . . . . ?
C03K C04C C9 C048 -5(4) . . . . ?
C03N C04X C051 C059 4(4) . . . . ?
C03N C05H C05I C059 0(4) . . . . ?
C03P C028 C03Z C039 2(2) . . . . ?
C03Q C01A C02I C023 -176.6(16) . . . . ?
C03Q C01A C02I C03W 4(2) . . . . ?
C03Q C02J C03A C03W 0(3) . . . . ?
C03S C049 C05M C41 0(4) . . . . ?
C03S C37 C53 C41 10(4) . . . . ?
O03U S00L N04D S00K 157.0(18) . . . . ?
O03U S00L C4 F01X 176.1(19) . . . . ?
O03U S00L C4 F02G 55(2) . . . . ?
O03U S00L C4 F02O -73(2) . . . . ?
C03V C01R C02B C04A 1(3) . . . . ?
C03X C02Z C037 P00F 176.6(16) . . . . ?
C03X C02Z C037 C02Q 0(3) . . . . ?
C03X C04L C053 C02Q -1(4) . . . . ?
C03Y C020 C025 C04S 0(3) . . . . ?
C03Y C055 C056 C04S -3(4) . . . . ?
C03Z C028 C03P C046 -3(3) . . . . ?
C03Z C039 C03E C046 6(3) . . . . ?
C042 C01L C01P P00H 176.5(15) . . . . ?
C042 C01L C01P C02V -4(3) . . . . ?
C044 C04B C04K C27 -2(4) . . . . ?
C044 C14 C5 C27 5(5) . . . . ?
C045 C01E C01U C04P -4(3) . . . . ?
C045 C03I C04J C04P 1(4) . . . . ?
C047 C02K C035 C03O -1(3) . . . . ?
C047 C054 C6 C03O 1(4) . . . . ?
C048 C01Z C02U C03K -3(3) . . . . ?
C049 C03S C37 C53 -7(3) . . . . ?
C049 C05M C41 C53 3(5) . . . . ?
C04A C05F C11 C03V 1(4) . . . . ?
C04B P00J C02R C02W -61.3(15) . . . . ?
C04B P00J C02R C03D 129.2(15) . . . . ?
C04B P00J C02X C04O 163(2) . . . . ?
C04B P00J C02X C04W -9(2) . . . . ?
C04B C044 C14 C5 -3(5) . . . . ?
C04B C04K C27 C5 4(4) . . . . ?
N04D S00K C7 F01D -173(2) . . . . ?
N04D S00K C7 F01T 61(2) . . . . ?
N04D S00K C7 F02N -64(2) . . . . ?
N04D S00L C4 F01X 62(2) . . . . ?
N04D S00L C4 F02G -59(2) . . . . ?
N04D S00L C4 F02O 173(2) . . . . ?
C04E C03B C03C C01V -2(3) . . . . ?
C04F C02P C034 C05C -7(3) . . . . ?
C04G C01M C022 P00F 171.7(14) . . . . ?
C04G C01M C022 C02Y 7(3) . . . . ?
C04G C043 C04I C02Y -3(3) . . . . ?
C04H C03G C05G C25 6(4) . . . . ?
C04H C057 C1 C25 8(5) . . . . ?
C04I C043 C04G C01M 2(3) . . . . ?
C04J C03I C045 C01E 5(3) . . . . ?
C04M C036 C04Z C31 3(3) . . . . ?
C04O C02X C04W C12 4(4) . . . . ?
C04Q C02S C02T C01N 1(3) . . . . ?
C04U C031 C058 C39 6(4) . . . . ?
C04W C02X C04O C26 -6(4) . . . . ?
C04X C03N C05H C05I 3(3) . . . . ?
C04X C051 C059 C05I 0(4) . . . . ?
C04Z C036 C04M C38 -8(4) . . . . ?
C051 C059 C05I C05H -2(4) . . . . ?
C053 C02Q C037 P00F -179.1(16) . . . . ?
C053 C02Q C037 C02Z -2(3) . . . . ?
C057 C1 C25 C05G -9(6) . . . . ?
C058 C031 C04U C33 -17(4) . . . . ?
C05C C05L C05O C04F -2(4) . . . . ?
C05G C03G C04H C057 -8(4) . . . . ?
C05H C03N C04X C051 -5(3) . . . . ?
C05M C41 C53 C37 -8(5) . . . . ?
C37 C03S C049 C05M 2(3) . . . . ?
C48 C04V C04R C033 0.0 . . . . ?
C04V C48 C34 C03R 0.0 . . . . ?
C04V C04R C033 C03R 0.0 . . . . ?
C04R C033 C03R P00H -176.4(10) . . . . ?
C04R C033 C03R C34 0.0 . . . . ?
C033 C03R C34 C48 0.0 . . . . ?
C03R P00H C01P C01L -102.4(15) . . . . ?
C03R P00H C01P C02V 78.4(16) . . . . ?
C03R P00H C01R C02B -174.4(13) . . . . ?
C03R P00H C01R C03V 6.6(18) . . . . ?
C34 C48 C04V C04R 0.0 . . . . ?
C4 S00L N04D S00K -99(2) . . . . ?
C7 S00K N04D S00L -105(2) . . . . ?
C31 C24 C38 C04M -11(6) . . . . ?
C33 C05A C39 C058 -5(6) . . . . ?
C38 C24 C31 C04Z 7(6) . . . . ?
C39 C05A C33 C04U -6(6) . . . . ?
C12 C05J C26 C04O -5(4) . . . . ?
C14 C044 C04B P00J -176(2) . . . . ?
C14 C044 C04B C04K 1(3) . . . . ?
C14 C5 C27 C04K -6(5) . . . . ?
C26 C05J C12 C04W 5(5) . . . . ?
Au1 P00I C020 C025 33.8(15) . . . . ?
Au1 P00I C020 C03Y -143.9(15) . . . . ?
Au1 P00I C031 C04U 41(2) . . . . ?
Au1 P00I C031 C058 -124(2) . . . . ?
Au1 P00I C03G C04H 55(3) . . . . ?
Au1 P00I C03G C05G -107(2) . . . . ?
O11 S1 C2 F17 -57(3) . . . . ?
O11 S1 C2 F19 67(3) . . . . ?
O11 S1 C2 F47 -179(3) . . . . ?
O11 S1 N16 S2 -170(3) . . . . ?
O38 S1 C2 F17 175(3) . . . . ?
O38 S1 C2 F19 -61(3) . . . . ?
O38 S1 C2 F47 53(3) . . . . ?
O38 S1 N16 S2 -43(4) . . . . ?
C2 S1 N16 S2 80(3) . . . . ?
N16 S1 C2 F17 55(3) . . . . ?
N16 S1 C2 F19 179(2) . . . . ?
N16 S1 C2 F47 -67(3) . . . . ?
N16 S2 C3 F1 173(2) . . . . ?
N16 S2 C3 F59 47(2) . . . . ?
N16 S2 C3 F60 -68(2) . . . . ?
O8 S2 N16 S1 -8(4) . . . . ?
O8 S2 C3 F1 -74(3) . . . . ?
O8 S2 C3 F59 160(3) . . . . ?
O8 S2 C3 F60 45(3) . . . . ?
O13 S2 N16 S1 -155(3) . . . . ?
O13 S2 C3 F1 67(2) . . . . ?
O13 S2 C3 F59 -59(3) . . . . ?
O13 S2 C3 F60 -174(3) . . . . ?
C3 S2 N16 S1 111(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.804 -0.304 0.304 1483.5 321.6 '7 CH3CH2OCH2CH3'
2 0.277 0.732 0.560 19.7 2.9 ?
3 0.438 0.767 0.419 7.2 0.8 ?
4 0.562 0.233 0.581 7.2 0.0 ?
5 0.723 0.268 0.440 19.7 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'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

# start Validation Reply Form
_vrf_PLAT971_20211116-lq-r239    
;
PROBLEM: Check Calcd Resid. Dens.  1.10Ang From Au0A            4.22 eA-3 
         Check Calcd Resid. Dens.  0.92Ang From Au06            3.29 eA-3  
         Check Calcd Resid. Dens.  0.98Ang From Au2             2.67 eA-3  
         Check Calcd Resid. Dens.  1.02Ang From Au02            2.58 eA-3  
         Check Calcd Resid. Dens.  0.95Ang From Au05            2.52 eA-3 
RESPONSE: This can be ascribed to the Fourier truncation error induced 
by the metal atom.
;
_vrf_PLAT029_20211116-lq-r239    
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.945 Why?  
RESPONSE: Due to twinning present in the structure, some of the diffraction 
points were discarded during data reduction, so the completeness is reduced.
;
_vrf_PLAT230_20211116-lq-r239    
;
PROBLEM: Hirshfeld Test Diff for    S1       --C2       .        7.2 s.u.  
RESPONSE: Due to the highly twinned nature of the crystal, the S1-C2 bond 
of trifluoromethanesulfonimide anion is highly disordered.
;
_vrf_PLAT234_20211116-lq-r239    
;
PROBLEM: Large Hirshfeld Difference C024     --C03L     .       0.26 Ang.  
         Large Hirshfeld Difference C042     --C05N     .       0.26 Ang.  
         Large Hirshfeld Difference C04N     --C04Y     .       0.26 Ang.  
RESPONSE: These atoms belong to disordered phenylnaphthalene moiety 
and triphenylphosphine moiety which show large thermal vibration.
;
_vrf_PLAT241_20211116-lq-r239    
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C38 Check 
RESPONSE: The atom C38 is on the disordered phenylnaphthalene moiety and
is likely to display a elongated characteristic of its thermal motion.
;
_vrf_PLAT242_20211116-lq-r239    
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of         S1 Check 
RESPONSE: This alert is generated because there is a large amount of disorder 
in the structure, in special in the trifluoromethanesulfonimide anion, 
to which this atom is part.
;
_vrf_PLAT342_20211116-lq-r239    
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02908 Ang.  
RESPONSE: This alert results from moderate diffracting crystal and
quality of the data.
;
_vrf_PLAT911_20211116-lq-r239    
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.596       1827 Report
RESPONSE: Due to twinning present in the structure, some of the diffraction 
points were discarded during data reduction.
;
_vrf_PLAT972_20211116-lq-r239    
;
PROBLEM: Check Calcd Resid. Dens.  0.68Ang From Au2            -2.86 eA-3 
         Check Calcd Resid. Dens.  0.82Ang From Au06           -2.76 eA-3  
         Check Calcd Resid. Dens.  0.95Ang From Au03           -2.72 eA-3  
         Check Calcd Resid. Dens.  0.96Ang From Au05           -2.68 eA-3  
         Check Calcd Resid. Dens.  0.91Ang From Au08           -2.57 eA-3   
RESPONSE: It is common for residual density to remain near heavy
atoms, due to fourier termination ripples. These are a small fraction of 
the total number of electrons.
;
# end Validation Reply Form
