# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_Au13(Hdppa)6Cl5
_database_code_depnum_ccdc_archive 'CCDC 2330057'
loop_
_audit_author_name
_audit_author_address
'Jian-Hua Jia'
;Sun Yat Sen University
China
;
_audit_update_record             
;
2024-01-31 deposited with the CCDC.	2024-03-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-31
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Au13(Hdppa)6Cl5
_chemical_formula_moiety         '2(C144 H126 Au13 N6 P12), 10(Cl)'
_chemical_formula_sum            'C288 H252 Au26 Cl10 N12 P24'
_chemical_formula_weight         10099.91
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -5.1040 5.8603 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   53.647(5)
_cell_length_b                   14.0631(13)
_cell_length_c                   20.9828(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15830(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9462
_cell_measurement_temperature    210.00
_cell_measurement_theta_max      55.413
_cell_measurement_theta_min      2.826
_shelx_estimated_absorpt_T_max   0.435
_shelx_estimated_absorpt_T_min   0.154
_exptl_absorpt_coefficient_mu    16.649
_exptl_absorpt_correction_T_max  0.0567
_exptl_absorpt_correction_T_min  0.0046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1757 before and 0.0919 after correction.
The Ratio of minimum to maximum transmission is 0.0811.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.119
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             9296
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       67
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            250228
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         56.999
_diffrn_reflns_theta_min         3.369
_diffrn_ambient_temperature      210.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'D8 VENTURE with Metaljet'
_diffrn_measurement_method       ?
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_voltage           69.88
_reflns_Friedel_coverage         0.850
_reflns_Friedel_fraction_full    0.916
_reflns_Friedel_fraction_max     0.890
_reflns_number_gt                21971
_reflns_number_total             30528
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5-alpha (Bourhis et al., 2015)'
_refine_diff_density_max         1.486
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.162
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.480(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1307
_refine_ls_number_reflns         30528
_refine_ls_number_restraints     1014
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0590
_refine_ls_restrained_S_all      1.121
_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)+(0.1124P)²+9.4001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1830
_refine_ls_wR_factor_ref         0.1949
_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.520(15)
 0.480(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
3. Restrained distances
 P2-N1 = P1-N1 = P6-N3 = P5-N3
 1.7 with sigma of 0.01
 P7-N4 \\sim P8-N4
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C103 \\sim C104 \\sim C105 \\sim C106 \\sim C107 \\sim C108: within 2A with
sigma of 0.012 and sigma for terminal atoms of 0.024 within 2A
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 2A with sigma of 0.008
and sigma for terminal atoms of 0.016 within 2A
C91 \\sim C92 \\sim C93 \\sim C94 \\sim C96: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim C60: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66: within 2A with sigma of
0.016 and sigma for terminal atoms of 0.032 within 2A
C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
P7 \\sim C73 \\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C79 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim C84: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89 \\sim C90: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C109 \\sim C110 \\sim C111 \\sim C112 \\sim C113 \\sim C114: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C115 \\sim C116 \\sim C117 \\sim C118 \\sim C119 \\sim C120: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C127 \\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C133 \\sim C134 \\sim C135 \\sim C136 \\sim C137 \\sim C138: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C139 \\sim C140 \\sim C141: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C91 \\sim C96 \\sim C95 \\sim C94 \\sim C93 \\sim C92: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(N3) \\sim Ueq, Uanis(N6) \\sim Ueq: with sigma of 0.016 and sigma for
terminal atoms of 0.032
Uanis(C28) \\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C63)
\\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C98) \\sim Ueq,
Uanis(C102) \\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(C144) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl2) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C117)
\\sim Ueq, Uanis(C123) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(C139) \\sim Ueq,
Uanis(C142) \\sim Ueq, Uanis(C143) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(C10) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C109)
\\sim Ueq: with sigma of 0.016 and sigma for terminal atoms of 0.032
Uanis(N1) \\sim Ueq, Uanis(N2) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(P2) \\sim Ueq: with sigma of 0.006 and sigma for terminal atoms of 0.012
Uanis(Cl1) \\sim Ueq, Uanis(P1) \\sim Ueq, Uanis(N4) \\sim Ueq: with sigma of
0.008 and sigma for terminal atoms of 0.016
Uanis(C140) \\sim Ueq, Uanis(C141) \\sim Ueq: with sigma of 0.016 and sigma for
terminal atoms of 0.032
5. Others
 Fixed Sof: Cl2(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), N3(H3), N4(H4), N5(H5), N6(H6), C2(H2A), C3(H3A), C4(H4A),
 C5(H5A), C6(H6A), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C36(H36),
 C35(H35), C34(H34), C33(H33), C32(H32), C38(H38), C39(H39), C40(H40), C41(H41),
  C42(H42), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C50(H50),
 C51(H51), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59),
  C60(H60), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68),
 C69(H69), C70(H70), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76), C77(H77),
  C78(H78), C80(H80), C81(H81), C82(H82), C83(H83), C84(H84), C86(H86),
 C87(H87), C88(H88), C89(H89), C90(H90), C92(H92), C93(H93), C94(H94), C95(H95),
  C96(H96), C98(H98), C99(H99), C100(H100), C101(H101), C102(H102), C104(H104),
 C105(H105), C106(H106), C107(H107), C108(H108), C110(H110), C111(H111),
 C112(H112), C113(H113), C114(H114), C116(H116), C117(H117), C118(H118),
 C119(H119), C120(H120), C122(H122), C123(H123), C124(H124), C125(H125),
 C126(H126), C132(H132), C131(H131), C130(H130), C129(H129), C128(H128),
 C134(H134), C135(H135), C136(H136), C137(H137), C138(H138), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144)
6.b Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C7(C8,C9,C10,C11,C12), C13(C14,C15,C16,C17,C18), C19(C20,
 C21,C22,C23,C24), C25(C26,C27,C28,C29,C30), C31(C36,C35,C34,C33,C32), C37(C38,
 C39,C40,C41,C42), C43(C44,C45,C46,C47,C48), C49(C50,C51,C52,C53,C54), C55(C56,
 C57,C58,C59,C60), C61(C62,C63,C64,C65,C66), C67(C68,C69,C70,C71,C72), C73(C74,
 C75,C76,C77,C78), C79(C80,C81,C82,C83,C84), C85(C86,C87,C88,C89,C90), C91(C92,
 C93,C94,C95,C96), C97(C98,C99,C100,C101,C102), C103(C104,C105,C106,C107,C108),
 C109(C110,C111,C112,C113,C114), C115(C116,C117,C118,C119,C120), C121(C122,C123,
 C124,C125,C126), C127(C132,C131,C130,C129,C128), C133(C134,C135,C136,C137,
 C138), C139(C140,C141,C142,C143,C144)
;
_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
Au1 Au 0.68679(2) 0.28387(10) 0.43743(7) 0.1078(4) Uani 1 1 d . . . . .
Au2 Au 0.68617(2) 0.21756(10) 0.57384(7) 0.1090(4) Uani 1 1 d . . . . .
Au3 Au 0.64329(2) 0.21957(8) 0.63650(6) 0.0940(3) Uani 1 1 d . . . . .
Au4 Au 0.58752(2) 0.23078(8) 0.67272(6) 0.0965(3) Uani 1 1 d . . . . .
Au5 Au 0.56192(2) 0.29453(9) 0.56788(7) 0.1022(4) Uani 1 1 d . . . . .
Au6 Au 0.56240(2) 0.21889(11) 0.43922(7) 0.1091(4) Uani 1 1 d . . . . .
Au7 Au 0.58761(2) 0.27964(9) 0.33461(6) 0.1030(4) Uani 1 1 d . . . . .
Au8 Au 0.64395(2) 0.29055(8) 0.37196(6) 0.0903(3) Uani 1 1 d . . . . .
Au9 Au 0.61007(2) 0.35194(7) 0.58553(5) 0.0841(3) Uani 1 1 d . . . . .
Au10 Au 0.60171(2) 0.34615(7) 0.45110(6) 0.0900(3) Uani 1 1 d . . . . .
Au11 Au 0.60133(2) 0.16580(7) 0.55610(6) 0.0910(3) Uani 1 1 d . . . . .
Au12 Au 0.61029(2) 0.15960(7) 0.42209(6) 0.0865(3) Uani 1 1 d . . . . .
Au13 Au 0.64496(2) 0.25513(8) 0.50441(6) 0.0852(2) Uani 1 1 d . . . . .
P1 P 0.7297(2) 0.2977(10) 0.4459(6) 0.156(4) Uani 1 1 d D U . . .
P2 P 0.72757(17) 0.2025(9) 0.5688(6) 0.148(3) Uani 1 1 d D U . . .
P3 P 0.64665(15) 0.2133(5) 0.7486(4) 0.099(2) Uani 1 1 d . . . . .
P4 P 0.59355(16) 0.1887(5) 0.7721(4) 0.101(2) Uani 1 1 d . . . . .
P5 P 0.51945(13) 0.3108(6) 0.5614(4) 0.110(2) Uani 1 1 d D . . . .
P6 P 0.51982(13) 0.2083(7) 0.4451(5) 0.124(3) Uani 1 1 d D . . . .
P7 P 0.59333(15) 0.3237(5) 0.2279(4) 0.0990(19) Uani 1 1 d D U . . .
P8 P 0.64387(14) 0.2940(6) 0.2580(4) 0.103(2) Uani 1 1 d D . . . .
P9 P 0.61765(11) 0.5142(4) 0.5879(3) 0.0828(14) Uani 1 1 d . . . . .
P10 P 0.59999(15) 0.5129(5) 0.4531(4) 0.104(2) Uani 1 1 d . . . . .
P11 P 0.59935(13) 0.0020(5) 0.5487(3) 0.0897(16) Uani 1 1 d . . . . .
P12 P 0.61886(14) 0.0001(4) 0.4177(4) 0.0960(18) Uani 1 1 d . . . . .
N1 N 0.7412(5) 0.2144(19) 0.4972(10) 0.173(12) Uani 1 1 d D U . . .
H1 H 0.753870 0.179038 0.486502 0.207 Uiso 1 1 calc R U . . .
N2 N 0.6210(4) 0.1803(17) 0.8011(13) 0.116(7) Uani 1 1 d . U . . .
H2 H 0.623599 0.160961 0.839881 0.139 Uiso 1 1 calc R U . . .
N3 N 0.5040(3) 0.266(2) 0.5002(10) 0.144(9) Uani 1 1 d D U . . .
H3 H 0.487948 0.272749 0.497128 0.173 Uiso 1 1 calc R U . . .
N4 N 0.6225(3) 0.3335(15) 0.2179(10) 0.097(6) Uani 1 1 d D U . . .
H4 H 0.626964 0.366161 0.184601 0.116 Uiso 1 1 calc R U . . .
N5 N 0.6071(4) 0.5661(13) 0.5266(10) 0.094(6) Uani 1 1 d . . . . .
H5 H 0.604488 0.626975 0.529625 0.113 Uiso 1 1 calc R U . . .
N6 N 0.6082(4) -0.0527(12) 0.4905(10) 0.085(5) Uani 1 1 d . U . . .
H6 H 0.608082 -0.114514 0.492657 0.102 Uiso 1 1 calc R U . . .
C1 C 0.7457(3) 0.2423(16) 0.3677(9) 0.126(6) Uani 1 1 d G U . . .
C2 C 0.7335(3) 0.1732(17) 0.3321(10) 0.130(6) Uani 1 1 d G U . . .
H2A H 0.717341 0.153702 0.343535 0.156 Uiso 1 1 calc R U . . .
C3 C 0.7452(4) 0.1328(16) 0.2796(10) 0.138(6) Uani 1 1 d G U . . .
H3A H 0.736967 0.086006 0.255477 0.165 Uiso 1 1 calc R U . . .
C4 C 0.7691(4) 0.1616(16) 0.2627(9) 0.141(6) Uani 1 1 d G U . . .
H4A H 0.777009 0.134267 0.227135 0.169 Uiso 1 1 calc R U . . .
C5 C 0.7813(3) 0.2308(16) 0.2983(10) 0.135(6) Uani 1 1 d G U . . .
H5A H 0.797426 0.250223 0.286850 0.162 Uiso 1 1 calc R U . . .
C6 C 0.7696(4) 0.2711(15) 0.3508(9) 0.130(6) Uani 1 1 d G U . . .
H6A H 0.777800 0.317920 0.374908 0.156 Uiso 1 1 calc R U . . .
C7 C 0.7400(4) 0.3989(14) 0.4532(13) 0.145(7) Uani 1 1 d G U . . .
C8 C 0.7290(4) 0.4715(19) 0.4181(11) 0.152(7) Uani 1 1 d G U . . .
H8 H 0.717156 0.456988 0.386642 0.182 Uiso 1 1 calc R U . . .
C9 C 0.7357(5) 0.5655(17) 0.4294(12) 0.159(8) Uani 1 1 d G U . . .
H9 H 0.728265 0.614635 0.405624 0.190 Uiso 1 1 calc R U . . .
C10 C 0.7533(5) 0.5870(15) 0.4759(13) 0.162(8) Uani 1 1 d G U . . .
H10 H 0.757744 0.650587 0.483529 0.195 Uiso 1 1 calc R U . . .
C11 C 0.7642(4) 0.514(2) 0.5110(11) 0.162(8) Uani 1 1 d G U . . .
H11 H 0.776116 0.528893 0.542450 0.195 Uiso 1 1 calc R U . . .
C12 C 0.7576(4) 0.4203(17) 0.4997(11) 0.157(8) Uani 1 1 d G U . . .
H12 H 0.765008 0.371246 0.523469 0.188 Uiso 1 1 calc R U . . .
C13 C 0.7419(4) 0.2545(18) 0.6264(10) 0.145(7) Uani 1 1 d G U . . .
C14 C 0.7307(3) 0.3281(19) 0.6601(12) 0.148(8) Uani 1 1 d G U . . .
H14 H 0.714392 0.347186 0.649936 0.177 Uiso 1 1 calc R U . . .
C15 C 0.7436(4) 0.3734(17) 0.7088(12) 0.157(8) Uani 1 1 d G U . . .
H15 H 0.736048 0.423158 0.731619 0.188 Uiso 1 1 calc R U . . .
C16 C 0.7678(4) 0.3452(18) 0.7238(10) 0.156(8) Uani 1 1 d G U . . .
H16 H 0.776491 0.375840 0.756775 0.187 Uiso 1 1 calc R U . . .
C17 C 0.7790(3) 0.2716(18) 0.6901(12) 0.150(8) Uani 1 1 d G U . . .
H17 H 0.795278 0.252548 0.700250 0.180 Uiso 1 1 calc R U . . .
C18 C 0.7660(4) 0.2263(16) 0.6414(11) 0.143(7) Uani 1 1 d G U . . .
H18 H 0.773622 0.176574 0.618566 0.172 Uiso 1 1 calc R U . . .
C19 C 0.7334(5) 0.0560(14) 0.5879(12) 0.156(8) Uani 1 1 d G U . . .
C20 C 0.7228(5) 0.0209(17) 0.6436(10) 0.159(8) Uani 1 1 d G U . . .
H20 H 0.714095 0.061864 0.671075 0.191 Uiso 1 1 calc R U . . .
C21 C 0.7252(4) -0.0749(18) 0.6588(10) 0.161(8) Uani 1 1 d G U . . .
H21 H 0.718056 -0.098719 0.696464 0.193 Uiso 1 1 calc R U . . .
C22 C 0.7381(5) -0.1356(13) 0.6182(13) 0.169(8) Uani 1 1 d G U . . .
H22 H 0.739699 -0.200365 0.628436 0.202 Uiso 1 1 calc R U . . .
C23 C 0.7486(5) -0.1004(19) 0.5625(11) 0.166(8) Uani 1 1 d G U . . .
H23 H 0.757380 -0.141428 0.535020 0.200 Uiso 1 1 calc R U . . .
C24 C 0.7463(5) -0.005(2) 0.5473(10) 0.164(8) Uani 1 1 d G U . . .
H24 H 0.753419 0.019156 0.509630 0.197 Uiso 1 1 calc R U . . .
C25 C 0.6715(3) 0.1454(15) 0.7736(12) 0.130(6) Uani 1 1 d G U . . .
C26 C 0.6670(3) 0.0596(16) 0.8044(12) 0.133(6) Uani 1 1 d G U . . .
H26 H 0.650496 0.038427 0.810151 0.160 Uiso 1 1 calc R U . . .
C27 C 0.6868(4) 0.0052(14) 0.8266(12) 0.138(7) Uani 1 1 d G U . . .
H27 H 0.683689 -0.052828 0.847403 0.165 Uiso 1 1 calc R U . . .
C28 C 0.7111(3) 0.0365(16) 0.8180(12) 0.142(7) Uani 1 1 d G U . . .
H28 H 0.724494 -0.000295 0.833036 0.170 Uiso 1 1 calc R U . . .
C29 C 0.7156(3) 0.1223(17) 0.7872(13) 0.152(7) Uani 1 1 d G U . . .
H29 H 0.732107 0.143493 0.781417 0.182 Uiso 1 1 calc R U . . .
C30 C 0.6958(4) 0.1767(15) 0.7650(12) 0.150(7) Uani 1 1 d G U . . .
H30 H 0.698915 0.234749 0.744164 0.180 Uiso 1 1 calc R U . . .
C31 C 0.6533(3) 0.3337(8) 0.7697(7) 0.087(4) Uani 1 1 d G U . . .
C36 C 0.6678(3) 0.3903(10) 0.7301(5) 0.086(4) Uani 1 1 d G U . . .
H36 H 0.672811 0.367397 0.689957 0.103 Uiso 1 1 calc R U . . .
C35 C 0.6750(3) 0.4806(10) 0.7497(7) 0.095(5) Uani 1 1 d G U . . .
H35 H 0.684801 0.518854 0.722922 0.114 Uiso 1 1 calc R U . . .
C34 C 0.6676(3) 0.5144(8) 0.8091(7) 0.101(5) Uani 1 1 d G U . . .
H34 H 0.672451 0.575511 0.822378 0.121 Uiso 1 1 calc R U . . .
C33 C 0.6531(3) 0.4579(11) 0.8487(6) 0.109(5) Uani 1 1 d G U . . .
H33 H 0.648112 0.480712 0.888871 0.130 Uiso 1 1 calc R U . . .
C32 C 0.6459(3) 0.3675(10) 0.8291(6) 0.104(5) Uani 1 1 d G U . . .
H32 H 0.636122 0.329255 0.855907 0.125 Uiso 1 1 calc R U . . .
C37 C 0.5778(3) 0.0677(10) 0.7908(9) 0.110(5) Uani 1 1 d G U . . .
C38 C 0.5891(3) -0.0020(13) 0.8278(9) 0.120(6) Uani 1 1 d G U . . .
H38 H 0.604768 0.009664 0.846502 0.144 Uiso 1 1 calc R U . . .
C39 C 0.5774(4) -0.0890(11) 0.8370(10) 0.127(6) Uani 1 1 d G U . . .
H39 H 0.585038 -0.136098 0.862059 0.152 Uiso 1 1 calc R U . . .
C40 C 0.5543(4) -0.1062(10) 0.8093(10) 0.127(6) Uani 1 1 d G U . . .
H40 H 0.546324 -0.165035 0.815619 0.152 Uiso 1 1 calc R U . . .
C41 C 0.5430(3) -0.0365(13) 0.7724(10) 0.123(6) Uani 1 1 d G U . . .
H41 H 0.527339 -0.048211 0.753620 0.148 Uiso 1 1 calc R U . . .
C42 C 0.5547(3) 0.0504(11) 0.7631(9) 0.113(6) Uani 1 1 d G U . . .
H42 H 0.547068 0.097552 0.738062 0.136 Uiso 1 1 calc R U . . .
C43 C 0.5750(4) 0.2689(12) 0.8228(10) 0.125(6) Uani 1 1 d G U . . .
C44 C 0.5742(4) 0.3641(14) 0.8050(8) 0.135(6) Uani 1 1 d G U . . .
H44 H 0.581537 0.383712 0.766513 0.162 Uiso 1 1 calc R U . . .
C45 C 0.5625(4) 0.4303(10) 0.8442(10) 0.136(6) Uani 1 1 d G U . . .
H45 H 0.561978 0.494604 0.832132 0.164 Uiso 1 1 calc R U . . .
C46 C 0.5517(4) 0.4013(13) 0.9011(9) 0.133(6) Uani 1 1 d G U . . .
H46 H 0.543812 0.445998 0.927589 0.160 Uiso 1 1 calc R U . . .
C47 C 0.5525(4) 0.3061(14) 0.9189(9) 0.134(6) Uani 1 1 d G U . . .
H47 H 0.545204 0.286498 0.957426 0.161 Uiso 1 1 calc R U . . .
C48 C 0.5642(4) 0.2400(10) 0.8798(10) 0.124(6) Uani 1 1 d G U . . .
H48 H 0.564763 0.175604 0.891807 0.149 Uiso 1 1 calc R U . . .
C49 C 0.5057(5) 0.2552(19) 0.6230(13) 0.159(8) Uani 1 1 d G U . . .
C50 C 0.5138(4) 0.2765(16) 0.6843(16) 0.165(8) Uani 1 1 d G U . . .
H50 H 0.526242 0.322574 0.690600 0.198 Uiso 1 1 calc R U . . .
C51 C 0.5034(6) 0.230(2) 0.7363(12) 0.172(8) Uani 1 1 d G U . . .
H51 H 0.508870 0.244108 0.777732 0.206 Uiso 1 1 calc R U . . .
C52 C 0.4850(5) 0.1615(19) 0.7269(13) 0.177(8) Uani 1 1 d G U . . .
H52 H 0.478012 0.129887 0.762068 0.213 Uiso 1 1 calc R U . . .
C53 C 0.4770(4) 0.1402(17) 0.6656(16) 0.175(8) Uani 1 1 d G U . . .
H53 H 0.464525 0.094132 0.659271 0.210 Uiso 1 1 calc R U . . .
C54 C 0.4873(5) 0.187(2) 0.6136(12) 0.169(8) Uani 1 1 d G U . . .
H54 H 0.481897 0.172598 0.572137 0.202 Uiso 1 1 calc R U . . .
C55 C 0.5082(4) 0.4237(13) 0.5613(11) 0.128(7) Uani 1 1 d G U . . .
C56 C 0.5232(3) 0.4911(17) 0.5911(11) 0.141(7) Uani 1 1 d G U . . .
H56 H 0.539945 0.477298 0.599997 0.169 Uiso 1 1 calc R U . . .
C57 C 0.5133(4) 0.5790(15) 0.6079(11) 0.152(7) Uani 1 1 d G U . . .
H57 H 0.523358 0.624595 0.628034 0.183 Uiso 1 1 calc R U . . .
C58 C 0.4884(5) 0.5995(13) 0.5947(12) 0.155(7) Uani 1 1 d G U . . .
H58 H 0.481747 0.658904 0.606045 0.186 Uiso 1 1 calc R U . . .
C59 C 0.4735(3) 0.5321(17) 0.5649(11) 0.153(7) Uani 1 1 d G U . . .
H59 H 0.456723 0.545916 0.556018 0.183 Uiso 1 1 calc R U . . .
C60 C 0.4834(4) 0.4442(15) 0.5482(10) 0.138(7) Uani 1 1 d G U . . .
H60 H 0.473310 0.398618 0.527980 0.165 Uiso 1 1 calc R U . . .
C61 C 0.5122(6) 0.272(2) 0.3589(13) 0.184(11) Uani 1 1 d G U . . .
C62 C 0.4965(6) 0.350(2) 0.3574(13) 0.183(10) Uani 1 1 d G U . . .
H62 H 0.493947 0.386595 0.394376 0.220 Uiso 1 1 calc R U . . .
C63 C 0.4844(5) 0.375(2) 0.3011(17) 0.184(11) Uani 1 1 d G U . . .
H63 H 0.473695 0.427645 0.300076 0.221 Uiso 1 1 calc R U . . .
C64 C 0.4881(6) 0.321(3) 0.2464(13) 0.190(11) Uani 1 1 d G U . . .
H64 H 0.479911 0.337393 0.208321 0.228 Uiso 1 1 calc R U . . .
C65 C 0.5039(6) 0.243(2) 0.2479(14) 0.189(11) Uani 1 1 d G U . . .
H65 H 0.506380 0.206089 0.210866 0.227 Uiso 1 1 calc R U . . .
C66 C 0.5160(5) 0.2180(18) 0.3041(18) 0.181(11) Uani 1 1 d G U . . .
H66 H 0.526632 0.165038 0.305165 0.217 Uiso 1 1 calc R U . . .
C67 C 0.5078(4) 0.0823(12) 0.4323(12) 0.136(7) Uani 1 1 d G U . . .
C68 C 0.4832(3) 0.0553(14) 0.4424(12) 0.132(6) Uani 1 1 d G U . . .
H68 H 0.470874 0.101851 0.448864 0.158 Uiso 1 1 calc R U . . .
C69 C 0.4768(3) -0.0405(16) 0.4428(12) 0.134(7) Uani 1 1 d G U . . .
H69 H 0.460148 -0.058694 0.449581 0.161 Uiso 1 1 calc R U . . .
C70 C 0.4950(4) -0.1093(12) 0.4332(13) 0.146(7) Uani 1 1 d G U . . .
H70 H 0.490682 -0.174035 0.433461 0.175 Uiso 1 1 calc R U . . .
C71 C 0.5196(4) -0.0823(14) 0.4231(13) 0.147(7) Uani 1 1 d G U . . .
H71 H 0.531944 -0.128831 0.416625 0.177 Uiso 1 1 calc R U . . .
C72 C 0.5260(3) 0.0135(16) 0.4227(13) 0.145(7) Uani 1 1 d G U . . .
H72 H 0.542671 0.031714 0.415908 0.174 Uiso 1 1 calc R U . . .
C73 C 0.5798(4) 0.2361(18) 0.1752(11) 0.131(5) Uani 1 1 d G U . . .
C74 C 0.5625(5) 0.170(2) 0.1971(10) 0.163(7) Uani 1 1 d G U . . .
H74 H 0.560504 0.160079 0.241061 0.196 Uiso 1 1 calc R U . . .
C75 C 0.5483(4) 0.1181(18) 0.1539(15) 0.176(8) Uani 1 1 d G U . . .
H75 H 0.536683 0.073364 0.168649 0.211 Uiso 1 1 calc R U . . .
C76 C 0.5514(5) 0.133(2) 0.0888(13) 0.174(8) Uani 1 1 d G U . . .
H76 H 0.541740 0.097645 0.059569 0.209 Uiso 1 1 calc R U . . .
C77 C 0.5686(5) 0.199(2) 0.0669(9) 0.169(8) Uani 1 1 d G U . . .
H77 H 0.570620 0.208641 0.022900 0.202 Uiso 1 1 calc R U . . .
C78 C 0.5828(4) 0.2506(17) 0.1101(13) 0.151(7) Uani 1 1 d G U . . .
H78 H 0.594441 0.295357 0.095311 0.182 Uiso 1 1 calc R U . . .
C79 C 0.5794(5) 0.4358(17) 0.2146(16) 0.179(9) Uani 1 1 d G U . . .
C80 C 0.5932(4) 0.504(2) 0.1822(16) 0.182(9) Uani 1 1 d G U . . .
H80 H 0.610132 0.492974 0.173018 0.218 Uiso 1 1 calc R U . . .
C81 C 0.5821(5) 0.5888(18) 0.1636(16) 0.185(9) Uani 1 1 d G U . . .
H81 H 0.591400 0.634960 0.141695 0.222 Uiso 1 1 calc R U . . .
C82 C 0.5571(5) 0.6052(16) 0.1772(16) 0.184(9) Uani 1 1 d G U . . .
H82 H 0.549515 0.662445 0.164565 0.221 Uiso 1 1 calc R U . . .
C83 C 0.5433(4) 0.537(2) 0.2095(16) 0.183(9) Uani 1 1 d G U . . .
H83 H 0.526361 0.547944 0.218758 0.220 Uiso 1 1 calc R U . . .
C84 C 0.5544(5) 0.4522(19) 0.2282(15) 0.184(9) Uani 1 1 d G U . . .
H84 H 0.545091 0.405957 0.250081 0.220 Uiso 1 1 calc R U . . .
C85 C 0.6704(5) 0.3777(18) 0.2295(13) 0.165(8) Uani 1 1 d G U . . .
C86 C 0.6693(4) 0.435(2) 0.1757(13) 0.167(8) Uani 1 1 d G U . . .
H86 H 0.654490 0.439101 0.152001 0.201 Uiso 1 1 calc R U . . .
C87 C 0.6902(5) 0.4864(17) 0.1568(11) 0.169(8) Uani 1 1 d G U . . .
H87 H 0.689469 0.525178 0.120311 0.202 Uiso 1 1 calc R U . . .
C88 C 0.7121(4) 0.4804(18) 0.1917(13) 0.173(8) Uani 1 1 d G U . . .
H88 H 0.726256 0.515146 0.178955 0.207 Uiso 1 1 calc R U . . .
C89 C 0.7132(4) 0.423(2) 0.2456(13) 0.176(8) Uani 1 1 d G U . . .
H89 H 0.728064 0.419038 0.269288 0.211 Uiso 1 1 calc R U . . .
C90 C 0.6924(5) 0.3717(18) 0.2645(11) 0.170(8) Uani 1 1 d G U . . .
H90 H 0.693085 0.332961 0.300978 0.204 Uiso 1 1 calc R U . . .
C91 C 0.6541(7) 0.164(2) 0.224(2) 0.225(12) Uani 1 1 d G U . . .
C92 C 0.6436(6) 0.142(3) 0.165(2) 0.229(12) Uani 1 1 d G U . . .
H92 H 0.632813 0.184909 0.144818 0.275 Uiso 1 1 calc R U . . .
C93 C 0.6492(7) 0.055(3) 0.1358(15) 0.235(12) Uani 1 1 d G U . . .
H93 H 0.642140 0.040359 0.096075 0.282 Uiso 1 1 calc R U . . .
C94 C 0.6652(7) -0.008(2) 0.165(2) 0.236(12) Uani 1 1 d G U . . .
H94 H 0.668964 -0.066744 0.145816 0.283 Uiso 1 1 calc R U . . .
C95 C 0.6756(6) 0.014(3) 0.224(2) 0.234(12) Uani 1 1 d G U . . .
H95 H 0.686461 -0.029298 0.244302 0.281 Uiso 1 1 calc R U . . .
C96 C 0.6701(7) 0.100(3) 0.2533(16) 0.231(12) Uani 1 1 d G U . . .
H96 H 0.677134 0.115252 0.293047 0.278 Uiso 1 1 calc R U . . .
C97 C 0.6508(3) 0.5511(13) 0.5916(10) 0.103(7) Uani 1 1 d G U . . .
C98 C 0.6695(3) 0.4926(12) 0.5678(10) 0.114(8) Uani 1 1 d G U . . .
H98 H 0.665297 0.436731 0.545671 0.137 Uiso 1 1 calc R U . . .
C99 C 0.6944(3) 0.5167(14) 0.5767(11) 0.151(12) Uani 1 1 d G U . . .
H99 H 0.707011 0.477118 0.560614 0.181 Uiso 1 1 calc R U . . .
C100 C 0.7006(3) 0.5993(15) 0.6095(11) 0.122(9) Uani 1 1 d G U . . .
H100 H 0.717401 0.615604 0.615478 0.146 Uiso 1 1 calc R U . . .
C101 C 0.6819(4) 0.6578(12) 0.6333(11) 0.147(12) Uani 1 1 d G U . . .
H101 H 0.686077 0.713702 0.655401 0.177 Uiso 1 1 calc R U . . .
C102 C 0.6570(3) 0.6337(12) 0.6244(10) 0.113(8) Uani 1 1 d G U . . .
H102 H 0.644363 0.673316 0.640459 0.136 Uiso 1 1 calc R U . . .
C103 C 0.6031(4) 0.5657(18) 0.6473(11) 0.143(8) Uani 1 1 d G U . . .
C104 C 0.6089(4) 0.5402(15) 0.7096(13) 0.154(8) Uani 1 1 d G U . . .
H104 H 0.619801 0.489280 0.717474 0.184 Uiso 1 1 calc R U . . .
C105 C 0.5985(5) 0.5901(19) 0.7603(10) 0.156(8) Uani 1 1 d G U . . .
H105 H 0.602414 0.572917 0.802399 0.187 Uiso 1 1 calc R U . . .
C106 C 0.5824(5) 0.6655(18) 0.7487(12) 0.164(9) Uani 1 1 d G U . . .
H106 H 0.575370 0.699256 0.782912 0.197 Uiso 1 1 calc R U . . .
C107 C 0.5766(4) 0.6910(15) 0.6864(14) 0.169(9) Uani 1 1 d G U . . .
H107 H 0.565713 0.741958 0.678500 0.203 Uiso 1 1 calc R U . . .
C108 C 0.5870(5) 0.6411(19) 0.6357(11) 0.162(9) Uani 1 1 d G U . . .
H108 H 0.583100 0.658323 0.593575 0.194 Uiso 1 1 calc R U . . .
C109 C 0.5691(5) 0.550(2) 0.4317(17) 0.196(9) Uani 1 1 d G U . . .
C110 C 0.5646(5) 0.646(2) 0.4426(18) 0.203(9) Uani 1 1 d G U . . .
H110 H 0.576677 0.683402 0.463231 0.243 Uiso 1 1 calc R U . . .
C111 C 0.5423(6) 0.6865(17) 0.423(2) 0.205(10) Uani 1 1 d G U . . .
H111 H 0.539240 0.751405 0.430185 0.246 Uiso 1 1 calc R U . . .
C112 C 0.5245(5) 0.631(2) 0.3923(18) 0.204(10) Uani 1 1 d G U . . .
H112 H 0.509366 0.658521 0.378987 0.245 Uiso 1 1 calc R U . . .
C113 C 0.5290(5) 0.535(2) 0.3815(16) 0.204(9) Uani 1 1 d G U . . .
H113 H 0.516928 0.497635 0.360834 0.244 Uiso 1 1 calc R U . . .
C114 C 0.5513(6) 0.4945(17) 0.4012(18) 0.200(10) Uani 1 1 d G U . . .
H114 H 0.554364 0.429630 0.393879 0.240 Uiso 1 1 calc R U . . .
C115 C 0.6202(5) 0.553(2) 0.3850(12) 0.155(7) Uani 1 1 d G U . . .
C116 C 0.6111(4) 0.610(2) 0.3363(14) 0.169(8) Uani 1 1 d G U . . .
H116 H 0.593840 0.620345 0.332168 0.203 Uiso 1 1 calc R U . . .
C117 C 0.6275(6) 0.653(2) 0.2936(12) 0.175(8) Uani 1 1 d G U . . .
H117 H 0.621340 0.691520 0.260673 0.210 Uiso 1 1 calc R U . . .
C118 C 0.6530(5) 0.638(2) 0.2997(12) 0.172(8) Uani 1 1 d G U . . .
H118 H 0.664097 0.666683 0.270837 0.207 Uiso 1 1 calc R U . . .
C119 C 0.6621(4) 0.581(2) 0.3484(14) 0.161(8) Uani 1 1 d G U . . .
H119 H 0.679354 0.570672 0.352497 0.193 Uiso 1 1 calc R U . . .
C120 C 0.6457(5) 0.5382(18) 0.3910(11) 0.156(8) Uani 1 1 d G U . . .
H120 H 0.651854 0.499496 0.423992 0.187 Uiso 1 1 calc R U . . .
C121 C 0.6192(3) -0.0565(17) 0.6069(9) 0.126(6) Uani 1 1 d G U . . .
C122 C 0.6448(4) -0.0501(17) 0.5972(9) 0.129(6) Uani 1 1 d G U . . .
H122 H 0.651023 -0.023566 0.559318 0.155 Uiso 1 1 calc R U . . .
C123 C 0.6612(3) -0.0831(17) 0.6436(11) 0.133(6) Uani 1 1 d G U . . .
H123 H 0.678458 -0.078757 0.637049 0.160 Uiso 1 1 calc R U . . .
C124 C 0.6519(4) -0.1224(17) 0.6996(9) 0.141(6) Uani 1 1 d G U . . .
H124 H 0.663018 -0.144648 0.730973 0.169 Uiso 1 1 calc R U . . .
C125 C 0.6264(4) -0.1288(17) 0.7093(9) 0.142(6) Uani 1 1 d G U . . .
H125 H 0.620142 -0.155347 0.747168 0.170 Uiso 1 1 calc R U . . .
C126 C 0.6100(3) -0.0958(17) 0.6629(10) 0.135(6) Uani 1 1 d G U . . .
H126 H 0.592707 -0.100156 0.669437 0.162 Uiso 1 1 calc R U . . .
C127 C 0.5687(3) -0.0460(13) 0.5709(12) 0.124(6) Uani 1 1 d G U . . .
C132 C 0.5500(3) 0.0143(10) 0.5924(13) 0.129(6) Uani 1 1 d G U . . .
H132 H 0.553331 0.079214 0.598698 0.155 Uiso 1 1 calc R U . . .
C131 C 0.5263(3) -0.0214(13) 0.6046(12) 0.136(6) Uani 1 1 d G U . . .
H131 H 0.513621 0.019409 0.619101 0.163 Uiso 1 1 calc R U . . .
C130 C 0.5213(3) -0.1174(14) 0.5953(13) 0.140(6) Uani 1 1 d G U . . .
H130 H 0.505298 -0.141526 0.603496 0.169 Uiso 1 1 calc R U . . .
C129 C 0.5400(4) -0.1777(10) 0.5738(13) 0.148(6) Uani 1 1 d G U . . .
H129 H 0.536685 -0.242658 0.567488 0.177 Uiso 1 1 calc R U . . .
C128 C 0.5637(3) -0.1421(12) 0.5616(13) 0.135(6) Uani 1 1 d G U . . .
H128 H 0.576395 -0.182854 0.547084 0.163 Uiso 1 1 calc R U . . .
C133 C 0.6040(4) -0.0642(13) 0.3485(8) 0.113(5) Uani 1 1 d G U . . .
C134 C 0.5864(4) -0.1354(13) 0.3576(7) 0.113(5) Uani 1 1 d G U . . .
H134 H 0.582238 -0.154974 0.399111 0.136 Uiso 1 1 calc R U . . .
C135 C 0.5750(3) -0.1778(12) 0.3054(9) 0.123(6) Uani 1 1 d G U . . .
H135 H 0.563062 -0.225920 0.311556 0.147 Uiso 1 1 calc R U . . .
C136 C 0.5811(4) -0.1489(14) 0.2440(7) 0.131(6) Uani 1 1 d G U . . .
H136 H 0.573401 -0.177485 0.208707 0.157 Uiso 1 1 calc R U . . .
C137 C 0.5987(4) -0.0776(16) 0.2349(7) 0.134(6) Uani 1 1 d G U . . .
H137 H 0.602917 -0.058104 0.193412 0.160 Uiso 1 1 calc R U . . .
C138 C 0.6102(3) -0.0353(13) 0.2871(9) 0.128(6) Uani 1 1 d G U . . .
H138 H 0.622093 0.012843 0.280966 0.153 Uiso 1 1 calc R U . . .
C139 C 0.6506(3) -0.0412(12) 0.4120(9) 0.099(6) Uani 1 1 d G U . . .
C140 C 0.6561(3) -0.1344(12) 0.3950(9) 0.115(6) Uani 1 1 d G U . . .
H140 H 0.643363 -0.174867 0.380528 0.138 Uiso 1 1 calc R U . . .
C141 C 0.6804(3) -0.1677(10) 0.3994(10) 0.113(6) Uani 1 1 d G U . . .
H141 H 0.684153 -0.230713 0.387856 0.136 Uiso 1 1 calc R U . . .
C142 C 0.6993(3) -0.1078(13) 0.4207(10) 0.117(9) Uani 1 1 d G U . . .
H142 H 0.715734 -0.130335 0.423700 0.141 Uiso 1 1 calc R U . . .
C143 C 0.6938(3) -0.0146(12) 0.4378(10) 0.133(11) Uani 1 1 d G U . . .
H143 H 0.706526 0.025889 0.452217 0.160 Uiso 1 1 calc R U . . .
C144 C 0.6695(3) 0.0187(9) 0.4334(9) 0.090(6) Uani 1 1 d G U . . .
H144 H 0.665737 0.081737 0.444890 0.108 Uiso 1 1 calc R U . . .
Cl1 Cl 0.6234(4) -0.2417(11) 0.5021(12) 0.260(7) Uani 1 1 d . U . . .
Cl2 Cl 0.6613(5) -0.226(2) 0.8945(13) 0.190(9) Uani 0.5 1 d . U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.0106(16) . ?
Au1 Au8 2.6790(18) . ?
Au1 Au13 2.6785(16) . ?
Au1 P1 2.315(11) . ?
Au2 Au3 2.6499(19) . ?
Au2 Au13 2.7001(16) . ?
Au2 P2 2.234(9) . ?
Au3 Au4 3.0910(17) . ?
Au3 Au9 2.7901(16) . ?
Au3 Au11 2.9131(17) . ?
Au3 Au13 2.8178(18) . ?
Au3 P3 2.360(8) . ?
Au4 Au5 2.7438(19) . ?
Au4 Au9 2.7774(16) . ?
Au4 Au11 2.7151(18) . ?
Au4 P4 2.191(8) . ?
Au5 Au6 2.9019(15) . ?
Au5 Au9 2.7316(16) . ?
Au5 Au10 3.3299(18) . ?
Au5 Au11 2.7942(17) . ?
Au5 P5 2.294(7) . ?
Au6 Au7 2.716(2) . ?
Au6 Au10 2.7769(18) . ?
Au6 Au11 3.3064(19) . ?
Au6 Au12 2.7246(17) . ?
Au6 P6 2.292(7) . ?
Au7 Au8 3.1261(17) . ?
Au7 Au10 2.7242(18) . ?
Au7 Au12 2.7747(17) . ?
Au7 P7 2.344(8) . ?
Au8 Au10 2.9162(16) . ?
Au8 Au12 2.7856(15) . ?
Au8 Au13 2.8241(17) . ?
Au8 P8 2.392(9) . ?
Au9 Au10 2.8573(16) . ?
Au9 Au11 2.7302(15) . ?
Au9 Au13 2.8728(15) . ?
Au9 P9 2.319(6) . ?
Au10 Au11 3.3597(14) . ?
Au10 Au12 2.7322(15) . ?
Au10 Au13 2.8762(14) . ?
Au10 P10 2.347(7) . ?
Au11 Au12 2.8541(17) . ?
Au11 Au13 2.8695(15) . ?
Au11 P11 2.311(7) . ?
Au12 Au13 2.8720(16) . ?
Au12 P12 2.291(6) . ?
P1 N1 1.708(13) . ?
P1 C1 2.009(17) . ?
P1 C7 1.53(2) . ?
P2 N1 1.680(13) . ?
P2 C13 1.609(19) . ?
P2 C19 2.12(2) . ?
P3 N2 1.82(3) . ?
P3 C25 1.721(17) . ?
P3 C31 1.787(13) . ?
P4 N2 1.60(2) . ?
P4 C37 1.940(13) . ?
P4 C43 1.842(16) . ?
P5 N3 1.652(12) . ?
P5 C49 1.68(2) . ?
P5 C55 1.699(18) . ?
P6 N3 1.646(13) . ?
P6 C61 2.06(3) . ?
P6 C67 1.91(2) . ?
P7 N4 1.583(16) . ?
P7 C73 1.81(2) . ?
P7 C79 1.766(19) . ?
P8 N4 1.528(16) . ?
P8 C85 1.942(18) . ?
P8 C91 2.04(3) . ?
P9 N5 1.58(2) . ?
P9 C97 1.854(14) . ?
P9 C103 1.64(2) . ?
P10 N5 1.76(2) . ?
P10 C109 1.79(2) . ?
P10 C115 1.88(2) . ?
P11 N6 1.52(2) . ?
P11 C121 1.817(15) . ?
P11 C127 1.838(15) . ?
P12 N6 1.79(2) . ?
P12 C133 1.887(13) . ?
P12 C139 1.803(15) . ?
N1 H1 0.8700 . ?
N2 H2 0.8700 . ?
N3 H3 0.8700 . ?
N4 H4 0.8700 . ?
N5 H5 0.8700 . ?
N6 H6 0.8700 . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2A 0.9400 . ?
C2 C3 1.3900 . ?
C3 H3A 0.9400 . ?
C3 C4 1.3900 . ?
C4 H4A 0.9400 . ?
C4 C5 1.3900 . ?
C5 H5A 0.9400 . ?
C5 C6 1.3900 . ?
C6 H6A 0.9400 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9400 . ?
C8 C9 1.3900 . ?
C9 H9 0.9400 . ?
C9 C10 1.3900 . ?
C10 H10 0.9400 . ?
C10 C11 1.3900 . ?
C11 H11 0.9400 . ?
C11 C12 1.3900 . ?
C12 H12 0.9400 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 H14 0.9400 . ?
C14 C15 1.3900 . ?
C15 H15 0.9400 . ?
C15 C16 1.3900 . ?
C16 H16 0.9400 . ?
C16 C17 1.3900 . ?
C17 H17 0.9400 . ?
C17 C18 1.3900 . ?
C18 H18 0.9400 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 H20 0.9400 . ?
C20 C21 1.3900 . ?
C21 H21 0.9400 . ?
C21 C22 1.3900 . ?
C22 H22 0.9400 . ?
C22 C23 1.3900 . ?
C23 H23 0.9400 . ?
C23 C24 1.3900 . ?
C24 H24 0.9400 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 H26 0.9400 . ?
C26 C27 1.3900 . ?
C27 H27 0.9400 . ?
C27 C28 1.3900 . ?
C28 H28 0.9400 . ?
C28 C29 1.3900 . ?
C29 H29 0.9400 . ?
C29 C30 1.3900 . ?
C30 H30 0.9400 . ?
C31 C36 1.3900 . ?
C31 C32 1.3900 . ?
C36 H36 0.9400 . ?
C36 C35 1.3900 . ?
C35 H35 0.9400 . ?
C35 C34 1.3900 . ?
C34 H34 0.9400 . ?
C34 C33 1.3900 . ?
C33 H33 0.9400 . ?
C33 C32 1.3900 . ?
C32 H32 0.9400 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 H38 0.9400 . ?
C38 C39 1.3900 . ?
C39 H39 0.9400 . ?
C39 C40 1.3900 . ?
C40 H40 0.9400 . ?
C40 C41 1.3900 . ?
C41 H41 0.9400 . ?
C41 C42 1.3900 . ?
C42 H42 0.9400 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 H44 0.9400 . ?
C44 C45 1.3900 . ?
C45 H45 0.9400 . ?
C45 C46 1.3900 . ?
C46 H46 0.9400 . ?
C46 C47 1.3900 . ?
C47 H47 0.9400 . ?
C47 C48 1.3900 . ?
C48 H48 0.9400 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 H50 0.9400 . ?
C50 C51 1.3900 . ?
C51 H51 0.9400 . ?
C51 C52 1.3900 . ?
C52 H52 0.9400 . ?
C52 C53 1.3900 . ?
C53 H53 0.9400 . ?
C53 C54 1.3900 . ?
C54 H54 0.9400 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 H56 0.9400 . ?
C56 C57 1.3900 . ?
C57 H57 0.9400 . ?
C57 C58 1.3900 . ?
C58 H58 0.9400 . ?
C58 C59 1.3900 . ?
C59 H59 0.9400 . ?
C59 C60 1.3900 . ?
C60 H60 0.9400 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 H62 0.9400 . ?
C62 C63 1.3900 . ?
C63 H63 0.9400 . ?
C63 C64 1.3900 . ?
C64 H64 0.9400 . ?
C64 C65 1.3900 . ?
C65 H65 0.9400 . ?
C65 C66 1.3900 . ?
C66 H66 0.9400 . ?
C67 C68 1.3900 . ?
C67 C72 1.3900 . ?
C68 H68 0.9400 . ?
C68 C69 1.3900 . ?
C69 H69 0.9400 . ?
C69 C70 1.3900 . ?
C70 H70 0.9400 . ?
C70 C71 1.3900 . ?
C71 H71 0.9400 . ?
C71 C72 1.3900 . ?
C72 H72 0.9400 . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 H74 0.9400 . ?
C74 C75 1.3900 . ?
C75 H75 0.9400 . ?
C75 C76 1.3900 . ?
C76 H76 0.9400 . ?
C76 C77 1.3900 . ?
C77 H77 0.9400 . ?
C77 C78 1.3900 . ?
C78 H78 0.9400 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 H80 0.9400 . ?
C80 C81 1.3900 . ?
C81 H81 0.9400 . ?
C81 C82 1.3900 . ?
C82 H82 0.9400 . ?
C82 C83 1.3900 . ?
C83 H83 0.9400 . ?
C83 C84 1.3900 . ?
C84 H84 0.9400 . ?
C85 C86 1.3900 . ?
C85 C90 1.3900 . ?
C86 H86 0.9400 . ?
C86 C87 1.3900 . ?
C87 H87 0.9400 . ?
C87 C88 1.3900 . ?
C88 H88 0.9400 . ?
C88 C89 1.3900 . ?
C89 H89 0.9400 . ?
C89 C90 1.3900 . ?
C90 H90 0.9400 . ?
C91 C92 1.3900 . ?
C91 C96 1.3900 . ?
C92 H92 0.9400 . ?
C92 C93 1.3900 . ?
C93 H93 0.9400 . ?
C93 C94 1.3900 . ?
C94 H94 0.9400 . ?
C94 C95 1.3900 . ?
C95 H95 0.9400 . ?
C95 C96 1.3900 . ?
C96 H96 0.9400 . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C98 H98 0.9400 . ?
C98 C99 1.3900 . ?
C99 H99 0.9400 . ?
C99 C100 1.3900 . ?
C100 H100 0.9400 . ?
C100 C101 1.3900 . ?
C101 H101 0.9400 . ?
C101 C102 1.3900 . ?
C102 H102 0.9400 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 H104 0.9400 . ?
C104 C105 1.3900 . ?
C105 H105 0.9400 . ?
C105 C106 1.3900 . ?
C106 H106 0.9400 . ?
C106 C107 1.3900 . ?
C107 H107 0.9400 . ?
C107 C108 1.3900 . ?
C108 H108 0.9400 . ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C110 H110 0.9400 . ?
C110 C111 1.3900 . ?
C111 H111 0.9400 . ?
C111 C112 1.3900 . ?
C112 H112 0.9400 . ?
C112 C113 1.3900 . ?
C113 H113 0.9400 . ?
C113 C114 1.3900 . ?
C114 H114 0.9400 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 H116 0.9400 . ?
C116 C117 1.3900 . ?
C117 H117 0.9400 . ?
C117 C118 1.3900 . ?
C118 H118 0.9400 . ?
C118 C119 1.3900 . ?
C119 H119 0.9400 . ?
C119 C120 1.3900 . ?
C120 H120 0.9400 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 H122 0.9400 . ?
C122 C123 1.3900 . ?
C123 H123 0.9400 . ?
C123 C124 1.3900 . ?
C124 H124 0.9400 . ?
C124 C125 1.3900 . ?
C125 H125 0.9400 . ?
C125 C126 1.3900 . ?
C126 H126 0.9400 . ?
C127 C132 1.3900 . ?
C127 C128 1.3900 . ?
C132 H132 0.9400 . ?
C132 C131 1.3900 . ?
C131 H131 0.9400 . ?
C131 C130 1.3900 . ?
C130 H130 0.9400 . ?
C130 C129 1.3900 . ?
C129 H129 0.9400 . ?
C129 C128 1.3900 . ?
C128 H128 0.9400 . ?
C133 C134 1.3900 . ?
C133 C138 1.3900 . ?
C134 H134 0.9400 . ?
C134 C135 1.3900 . ?
C135 H135 0.9400 . ?
C135 C136 1.3900 . ?
C136 H136 0.9400 . ?
C136 C137 1.3900 . ?
C137 H137 0.9400 . ?
C137 C138 1.3900 . ?
C138 H138 0.9400 . ?
C139 C140 1.3900 . ?
C139 C144 1.3900 . ?
C140 H140 0.9400 . ?
C140 C141 1.3900 . ?
C141 H141 0.9400 . ?
C141 C142 1.3900 . ?
C142 H142 0.9400 . ?
C142 C143 1.3900 . ?
C143 H143 0.9400 . ?
C143 C144 1.3900 . ?
C144 H144 0.9400 . ?

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
Au8 Au1 Au2 119.28(6) . . ?
Au13 Au1 Au2 56.30(5) . . ?
Au13 Au1 Au8 63.62(4) . . ?
P1 Au1 Au2 87.9(4) . . ?
P1 Au1 Au8 152.7(4) . . ?
P1 Au1 Au13 143.6(3) . . ?
Au3 Au2 Au1 118.55(6) . . ?
Au3 Au2 Au13 63.56(5) . . ?
Au13 Au2 Au1 55.62(5) . . ?
P2 Au2 Au1 88.5(3) . . ?
P2 Au2 Au3 152.6(3) . . ?
P2 Au2 Au13 143.8(3) . . ?
Au2 Au3 Au4 164.34(6) . . ?
Au2 Au3 Au9 111.80(6) . . ?
Au2 Au3 Au11 112.39(6) . . ?
Au2 Au3 Au13 59.09(4) . . ?
Au9 Au3 Au4 56.08(4) . . ?
Au9 Au3 Au11 57.15(4) . . ?
Au9 Au3 Au13 61.63(4) . . ?
Au11 Au3 Au4 53.67(4) . . ?
Au13 Au3 Au4 105.28(5) . . ?
Au13 Au3 Au11 60.07(4) . . ?
P3 Au3 Au2 115.3(2) . . ?
P3 Au3 Au4 80.3(2) . . ?
P3 Au3 Au9 117.1(2) . . ?
P3 Au3 Au11 128.8(2) . . ?
P3 Au3 Au13 169.8(2) . . ?
Au5 Au4 Au3 107.70(5) . . ?
Au5 Au4 Au9 59.30(4) . . ?
Au9 Au4 Au3 56.47(4) . . ?
Au11 Au4 Au3 59.81(4) . . ?
Au11 Au4 Au5 61.57(5) . . ?
Au11 Au4 Au9 59.60(4) . . ?
P4 Au4 Au3 94.4(2) . . ?
P4 Au4 Au5 157.7(2) . . ?
P4 Au4 Au9 136.7(2) . . ?
P4 Au4 Au11 136.6(2) . . ?
Au4 Au5 Au6 128.44(6) . . ?
Au4 Au5 Au10 109.90(5) . . ?
Au4 Au5 Au11 58.71(4) . . ?
Au6 Au5 Au10 52.38(4) . . ?
Au9 Au5 Au4 60.96(4) . . ?
Au9 Au5 Au6 103.06(6) . . ?
Au9 Au5 Au10 55.19(4) . . ?
Au9 Au5 Au11 59.20(4) . . ?
Au11 Au5 Au6 70.94(5) . . ?
Au11 Au5 Au10 65.87(4) . . ?
P5 Au5 Au4 125.3(3) . . ?
P5 Au5 Au6 89.4(2) . . ?
P5 Au5 Au9 156.6(2) . . ?
P5 Au5 Au10 124.8(3) . . ?
P5 Au5 Au11 144.2(2) . . ?
Au5 Au6 Au11 53.01(4) . . ?
Au7 Au6 Au5 129.87(6) . . ?
Au7 Au6 Au10 59.45(5) . . ?
Au7 Au6 Au11 110.86(5) . . ?
Au7 Au6 Au12 61.33(5) . . ?
Au10 Au6 Au5 71.76(5) . . ?
Au10 Au6 Au11 66.39(4) . . ?
Au12 Au6 Au5 104.08(6) . . ?
Au12 Au6 Au10 59.55(4) . . ?
Au12 Au6 Au11 55.48(4) . . ?
P6 Au6 Au5 88.0(3) . . ?
P6 Au6 Au7 124.1(3) . . ?
P6 Au6 Au10 142.5(2) . . ?
P6 Au6 Au11 125.1(3) . . ?
P6 Au6 Au12 157.9(2) . . ?
Au6 Au7 Au8 107.11(5) . . ?
Au6 Au7 Au10 61.39(5) . . ?
Au6 Au7 Au12 59.49(5) . . ?
Au10 Au7 Au8 59.33(4) . . ?
Au10 Au7 Au12 59.58(4) . . ?
Au12 Au7 Au8 55.96(4) . . ?
P7 Au7 Au6 157.0(2) . . ?
P7 Au7 Au8 95.7(2) . . ?
P7 Au7 Au10 136.9(2) . . ?
P7 Au7 Au12 137.36(19) . . ?
Au1 Au8 Au7 162.97(6) . . ?
Au1 Au8 Au10 112.58(6) . . ?
Au1 Au8 Au12 109.83(6) . . ?
Au1 Au8 Au13 58.18(4) . . ?
Au10 Au8 Au7 53.46(4) . . ?
Au12 Au8 Au7 55.63(4) . . ?
Au12 Au8 Au10 57.21(4) . . ?
Au12 Au8 Au13 61.59(4) . . ?
Au13 Au8 Au7 104.86(5) . . ?
Au13 Au8 Au10 60.11(4) . . ?
P8 Au8 Au1 120.99(19) . . ?
P8 Au8 Au7 75.44(19) . . ?
P8 Au8 Au10 124.24(19) . . ?
P8 Au8 Au12 112.9(2) . . ?
P8 Au8 Au13 170.9(2) . . ?
Au3 Au9 Au10 117.37(5) . . ?
Au3 Au9 Au13 59.66(4) . . ?
Au4 Au9 Au3 67.45(4) . . ?
Au4 Au9 Au10 124.36(5) . . ?
Au4 Au9 Au13 112.54(5) . . ?
Au5 Au9 Au3 117.31(5) . . ?
Au5 Au9 Au4 59.74(5) . . ?
Au5 Au9 Au10 73.10(5) . . ?
Au5 Au9 Au13 113.31(5) . . ?
Au10 Au9 Au13 60.26(4) . . ?
Au11 Au9 Au3 63.69(4) . . ?
Au11 Au9 Au4 59.06(4) . . ?
Au11 Au9 Au5 61.54(4) . . ?
Au11 Au9 Au10 73.88(4) . . ?
Au11 Au9 Au13 61.55(4) . . ?
P9 Au9 Au3 122.44(16) . . ?
P9 Au9 Au4 131.76(18) . . ?
P9 Au9 Au5 117.36(16) . . ?
P9 Au9 Au10 94.40(18) . . ?
P9 Au9 Au11 168.16(18) . . ?
P9 Au9 Au13 111.40(17) . . ?
Au5 Au10 Au11 49.38(3) . . ?
Au6 Au10 Au5 55.86(4) . . ?
Au6 Au10 Au8 111.48(5) . . ?
Au6 Au10 Au9 103.07(6) . . ?
Au6 Au10 Au11 64.39(5) . . ?
Au6 Au10 Au13 111.14(5) . . ?
Au7 Au10 Au5 114.05(5) . . ?
Au7 Au10 Au6 59.16(5) . . ?
Au7 Au10 Au8 67.22(5) . . ?
Au7 Au10 Au9 159.91(6) . . ?
Au7 Au10 Au11 109.12(5) . . ?
Au7 Au10 Au12 61.13(4) . . ?
Au7 Au10 Au13 114.84(5) . . ?
Au8 Au10 Au5 149.18(5) . . ?
Au8 Au10 Au11 100.13(4) . . ?
Au9 Au10 Au5 51.71(4) . . ?
Au9 Au10 Au8 116.60(5) . . ?
Au9 Au10 Au11 51.32(3) . . ?
Au9 Au10 Au13 60.14(4) . . ?
Au12 Au10 Au5 93.59(5) . . ?
Au12 Au10 Au6 59.27(4) . . ?
Au12 Au10 Au8 58.99(4) . . ?
Au12 Au10 Au9 102.76(5) . . ?
Au12 Au10 Au11 54.71(4) . . ?
Au12 Au10 Au13 61.54(4) . . ?
Au13 Au10 Au5 97.69(5) . . ?
Au13 Au10 Au8 58.35(4) . . ?
Au13 Au10 Au11 54.12(4) . . ?
P10 Au10 Au5 100.4(2) . . ?
P10 Au10 Au6 128.0(2) . . ?
P10 Au10 Au7 110.4(2) . . ?
P10 Au10 Au8 108.0(2) . . ?
P10 Au10 Au9 87.7(2) . . ?
P10 Au10 Au11 137.9(2) . . ?
P10 Au10 Au12 165.9(2) . . ?
P10 Au10 Au13 118.0(2) . . ?
Au3 Au11 Au6 149.20(5) . . ?
Au3 Au11 Au10 100.31(4) . . ?
Au4 Au11 Au3 66.52(5) . . ?
Au4 Au11 Au5 59.72(5) . . ?
Au4 Au11 Au6 114.85(5) . . ?
Au4 Au11 Au9 61.34(4) . . ?
Au4 Au11 Au10 109.79(4) . . ?
Au4 Au11 Au12 160.77(6) . . ?
Au4 Au11 Au13 114.57(5) . . ?
Au5 Au11 Au3 111.42(5) . . ?
Au5 Au11 Au6 56.05(4) . . ?
Au5 Au11 Au10 64.76(4) . . ?
Au5 Au11 Au12 103.56(5) . . ?
Au5 Au11 Au13 111.53(5) . . ?
Au6 Au11 Au10 49.23(4) . . ?
Au9 Au11 Au3 59.16(4) . . ?
Au9 Au11 Au5 59.26(4) . . ?
Au9 Au11 Au6 93.43(5) . . ?
Au9 Au11 Au10 54.79(4) . . ?
Au9 Au11 Au12 102.89(5) . . ?
Au9 Au11 Au13 61.67(4) . . ?
Au12 Au11 Au3 116.63(5) . . ?
Au12 Au11 Au6 51.86(4) . . ?
Au12 Au11 Au10 51.39(3) . . ?
Au12 Au11 Au13 60.23(4) . . ?
Au13 Au11 Au3 58.32(4) . . ?
Au13 Au11 Au6 97.81(5) . . ?
Au13 Au11 Au10 54.31(4) . . ?
P11 Au11 Au3 109.46(18) . . ?
P11 Au11 Au4 112.55(18) . . ?
P11 Au11 Au5 128.10(18) . . ?
P11 Au11 Au6 98.41(18) . . ?
P11 Au11 Au9 168.15(19) . . ?
P11 Au11 Au10 135.13(18) . . ?
P11 Au11 Au12 84.91(18) . . ?
P11 Au11 Au13 116.65(18) . . ?
Au6 Au12 Au7 59.19(5) . . ?
Au6 Au12 Au8 117.31(5) . . ?
Au6 Au12 Au10 61.18(4) . . ?
Au6 Au12 Au11 72.65(5) . . ?
Au6 Au12 Au13 112.84(5) . . ?
Au7 Au12 Au8 68.42(4) . . ?
Au7 Au12 Au11 124.01(6) . . ?
Au7 Au12 Au13 113.40(5) . . ?
Au8 Au12 Au11 117.46(5) . . ?
Au8 Au12 Au13 59.87(4) . . ?
Au10 Au12 Au7 59.29(4) . . ?
Au10 Au12 Au8 63.80(4) . . ?
Au10 Au12 Au11 73.91(4) . . ?
Au10 Au12 Au13 61.70(4) . . ?
Au11 Au12 Au13 60.15(4) . . ?
P12 Au12 Au6 119.62(19) . . ?
P12 Au12 Au7 131.1(2) . . ?
P12 Au12 Au8 120.11(19) . . ?
P12 Au12 Au10 169.3(2) . . ?
P12 Au12 Au11 95.9(2) . . ?
P12 Au12 Au13 110.6(2) . . ?
Au1 Au13 Au2 68.07(4) . . ?
Au1 Au13 Au3 124.72(5) . . ?
Au1 Au13 Au8 58.20(5) . . ?
Au1 Au13 Au9 141.74(6) . . ?
Au1 Au13 Au10 113.87(6) . . ?
Au1 Au13 Au11 161.41(6) . . ?
Au1 Au13 Au12 107.31(6) . . ?
Au2 Au13 Au3 57.35(5) . . ?
Au2 Au13 Au8 125.53(5) . . ?
Au2 Au13 Au9 107.85(6) . . ?
Au2 Au13 Au10 163.24(6) . . ?
Au2 Au13 Au11 112.23(6) . . ?
Au2 Au13 Au12 139.75(6) . . ?
Au3 Au13 Au8 177.08(4) . . ?
Au3 Au13 Au9 58.71(4) . . ?
Au3 Au13 Au10 115.84(5) . . ?
Au3 Au13 Au11 61.61(4) . . ?
Au3 Au13 Au12 119.21(5) . . ?
Au8 Au13 Au9 119.15(5) . . ?
Au8 Au13 Au10 61.53(4) . . ?
Au8 Au13 Au11 115.70(5) . . ?
Au8 Au13 Au12 58.55(4) . . ?
Au9 Au13 Au10 59.61(4) . . ?
Au11 Au13 Au9 56.78(3) . . ?
Au11 Au13 Au10 71.57(3) . . ?
Au11 Au13 Au12 59.62(4) . . ?
Au12 Au13 Au9 98.98(3) . . ?
Au12 Au13 Au10 56.76(4) . . ?
N1 P1 Au1 110.6(12) . . ?
N1 P1 C1 95.3(11) . . ?
C1 P1 Au1 109.2(8) . . ?
C7 P1 Au1 116.4(12) . . ?
C7 P1 N1 116.2(17) . . ?
C7 P1 C1 106.6(13) . . ?
N1 P2 Au2 117.8(11) . . ?
N1 P2 C19 101.7(13) . . ?
C13 P2 Au2 113.4(11) . . ?
C13 P2 N1 114.7(16) . . ?
C13 P2 C19 103.3(12) . . ?
C19 P2 Au2 103.2(9) . . ?
N2 P3 Au3 123.7(9) . . ?
C25 P3 Au3 112.6(9) . . ?
C25 P3 N2 105.0(11) . . ?
C25 P3 C31 107.2(10) . . ?
C31 P3 Au3 103.2(6) . . ?
C31 P3 N2 104.0(10) . . ?
N2 P4 Au4 121.2(11) . . ?
N2 P4 C37 105.0(11) . . ?
N2 P4 C43 108.8(12) . . ?
C37 P4 Au4 111.4(7) . . ?
C43 P4 Au4 107.8(8) . . ?
C43 P4 C37 100.7(10) . . ?
N3 P5 Au5 120.4(7) . . ?
N3 P5 C49 101.6(16) . . ?
N3 P5 C55 100.2(13) . . ?
C49 P5 Au5 110.0(10) . . ?
C49 P5 C55 106.3(12) . . ?
C55 P5 Au5 116.4(9) . . ?
N3 P6 Au6 121.3(7) . . ?
N3 P6 C61 107.5(14) . . ?
N3 P6 C67 112.5(13) . . ?
C61 P6 Au6 97.0(10) . . ?
C67 P6 Au6 112.9(8) . . ?
C67 P6 C61 102.3(13) . . ?
N4 P7 Au7 106.2(8) . . ?
N4 P7 C73 112.0(11) . . ?
N4 P7 C79 108.6(14) . . ?
C73 P7 Au7 110.6(9) . . ?
C79 P7 Au7 109.4(12) . . ?
C79 P7 C73 110.0(14) . . ?
N4 P8 Au8 124.0(8) . . ?
N4 P8 C85 99.3(13) . . ?
N4 P8 C91 109.4(16) . . ?
C85 P8 Au8 108.6(10) . . ?
C85 P8 C91 103.8(14) . . ?
C91 P8 Au8 109.6(14) . . ?
N5 P9 Au9 111.9(8) . . ?
N5 P9 C97 104.4(10) . . ?
N5 P9 C103 104.1(11) . . ?
C97 P9 Au9 116.4(6) . . ?
C103 P9 Au9 111.6(10) . . ?
C103 P9 C97 107.5(11) . . ?
N5 P10 Au10 115.6(7) . . ?
N5 P10 C109 107.1(14) . . ?
N5 P10 C115 114.5(12) . . ?
C109 P10 Au10 108.8(12) . . ?
C109 P10 C115 104.8(16) . . ?
C115 P10 Au10 105.3(9) . . ?
N6 P11 Au11 123.0(8) . . ?
N6 P11 C121 97.3(12) . . ?
N6 P11 C127 107.3(10) . . ?
C121 P11 Au11 112.3(9) . . ?
C121 P11 C127 100.8(11) . . ?
C127 P11 Au11 113.0(7) . . ?
N6 P12 Au12 107.9(7) . . ?
N6 P12 C133 108.8(8) . . ?
N6 P12 C139 102.9(10) . . ?
C133 P12 Au12 114.6(7) . . ?
C139 P12 Au12 120.5(6) . . ?
C139 P12 C133 101.1(9) . . ?
P1 N1 H1 120.9 . . ?
P2 N1 P1 118.2(13) . . ?
P2 N1 H1 120.9 . . ?
P3 N2 H2 121.7 . . ?
P4 N2 P3 116.6(16) . . ?
P4 N2 H2 121.7 . . ?
P5 N3 H3 120.8 . . ?
P6 N3 P5 118.4(11) . . ?
P6 N3 H3 120.8 . . ?
P7 N4 H4 115.2 . . ?
P8 N4 P7 129.6(16) . . ?
P8 N4 H4 115.2 . . ?
P9 N5 P10 126.5(11) . . ?
P9 N5 H5 116.7 . . ?
P10 N5 H5 116.8 . . ?
P11 N6 P12 125.1(11) . . ?
P11 N6 H6 117.5 . . ?
P12 N6 H6 117.5 . . ?
C2 C1 P1 120.6(10) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 P1 119.3(10) . . ?
C1 C2 H2A 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C1 C6 H6A 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6A 120.0 . . ?
C8 C7 P1 118.3(19) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 P1 121.1(19) . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 P2 120.9(16) . . ?
C14 C13 C18 120.0 . . ?
C18 C13 P2 119.0(16) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 P2 116.4(16) . . ?
C20 C19 C24 120.0 . . ?
C24 C19 P2 123.6(15) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 P3 119.2(13) . . ?
C26 C25 C30 120.0 . . ?
C30 C25 P3 120.8(13) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 H30 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C36 C31 P3 120.3(9) . . ?
C36 C31 C32 120.0 . . ?
C32 C31 P3 119.4(9) . . ?
C31 C36 H36 120.0 . . ?
C31 C36 C35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C38 C37 P4 122.8(10) . . ?
C38 C37 C42 120.0 . . ?
C42 C37 P4 117.1(10) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C37 C42 H42 120.0 . . ?
C41 C42 C37 120.0 . . ?
C41 C42 H42 120.0 . . ?
C44 C43 P4 116.8(12) . . ?
C44 C43 C48 120.0 . . ?
C48 C43 P4 122.9(12) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0 . . ?
C48 C47 H47 120.0 . . ?
C43 C48 H48 120.0 . . ?
C47 C48 C43 120.0 . . ?
C47 C48 H48 120.0 . . ?
C50 C49 P5 118(2) . . ?
C50 C49 C54 120.0 . . ?
C54 C49 P5 122(2) . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C49 C54 H54 120.0 . . ?
C53 C54 C49 120.0 . . ?
C53 C54 H54 120.0 . . ?
C56 C55 P5 115.7(15) . . ?
C56 C55 C60 120.0 . . ?
C60 C55 P5 122.2(14) . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C60 C59 H59 120.0 . . ?
C55 C60 H60 120.0 . . ?
C59 C60 C55 120.0 . . ?
C59 C60 H60 120.0 . . ?
C62 C61 P6 119.0(19) . . ?
C62 C61 C66 120.0 . . ?
C66 C61 P6 118(2) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C68 C67 P6 123.6(12) . . ?
C68 C67 C72 120.0 . . ?
C72 C67 P6 115.5(12) . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C69 C70 C71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71 120.0 . . ?
C67 C72 H72 120.0 . . ?
C71 C72 C67 120.0 . . ?
C71 C72 H72 120.0 . . ?
C74 C73 P7 121.5(16) . . ?
C74 C73 C78 120.0 . . ?
C78 C73 P7 117.0(16) . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C73 C78 H78 120.0 . . ?
C77 C78 C73 120.0 . . ?
C77 C78 H78 120.0 . . ?
C80 C79 P7 117.9(18) . . ?
C80 C79 C84 120.0 . . ?
C84 C79 P7 121.5(18) . . ?
C79 C80 H80 120.0 . . ?
C79 C80 C81 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C80 C81 C82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C84 C83 H83 120.0 . . ?
C79 C84 H84 120.0 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 H84 120.0 . . ?
C86 C85 P8 124.9(16) . . ?
C86 C85 C90 120.0 . . ?
C90 C85 P8 115.0(16) . . ?
C85 C86 H86 120.0 . . ?
C87 C86 C85 120.0 . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C86 C87 C88 120.0 . . ?
C88 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C90 C89 H89 120.0 . . ?
C85 C90 H90 120.0 . . ?
C89 C90 C85 120.0 . . ?
C89 C90 H90 120.0 . . ?
C92 C91 P8 114(3) . . ?
C92 C91 C96 120.0 . . ?
C96 C91 P8 126(3) . . ?
C91 C92 H92 120.0 . . ?
C91 C92 C93 120.0 . . ?
C93 C92 H92 120.0 . . ?
C92 C93 H93 120.0 . . ?
C94 C93 C92 120.0 . . ?
C94 C93 H93 120.0 . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 120.0 . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 120.0 . . ?
C96 C95 C94 120.0 . . ?
C96 C95 H95 120.0 . . ?
C91 C96 H96 120.0 . . ?
C95 C96 C91 120.0 . . ?
C95 C96 H96 120.0 . . ?
C98 C97 P9 120.7(10) . . ?
C98 C97 C102 120.0 . . ?
C102 C97 P9 119.0(10) . . ?
C97 C98 H98 120.0 . . ?
C99 C98 C97 120.0 . . ?
C99 C98 H98 120.0 . . ?
C98 C99 H99 120.0 . . ?
C98 C99 C100 120.0 . . ?
C100 C99 H99 120.0 . . ?
C99 C100 H100 120.0 . . ?
C99 C100 C101 120.0 . . ?
C101 C100 H100 120.0 . . ?
C100 C101 H101 120.0 . . ?
C102 C101 C100 120.0 . . ?
C102 C101 H101 120.0 . . ?
C97 C102 H102 120.0 . . ?
C101 C102 C97 120.0 . . ?
C101 C102 H102 120.0 . . ?
C104 C103 P9 119.7(15) . . ?
C104 C103 C108 120.0 . . ?
C108 C103 P9 120.0(16) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C104 C105 C106 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C107 C106 C105 120.0 . . ?
C107 C106 H106 120.0 . . ?
C106 C107 H107 120.0 . . ?
C106 C107 C108 120.0 . . ?
C108 C107 H107 120.0 . . ?
C103 C108 H108 120.0 . . ?
C107 C108 C103 120.0 . . ?
C107 C108 H108 120.0 . . ?
C110 C109 P10 113.7(19) . . ?
C110 C109 C114 120.0 . . ?
C114 C109 P10 126.0(19) . . ?
C109 C110 H110 120.0 . . ?
C109 C110 C111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C110 C111 H111 120.0 . . ?
C112 C111 C110 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C112 C113 C114 120.0 . . ?
C114 C113 H113 120.0 . . ?
C109 C114 H114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C113 C114 H114 120.0 . . ?
C116 C115 P10 122.0(17) . . ?
C116 C115 C120 120.0 . . ?
C120 C115 P10 116.9(17) . . ?
C115 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 H117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C118 C117 H117 120.0 . . ?
C117 C118 H118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C119 C118 H118 120.0 . . ?
C118 C119 H119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C120 C119 H119 120.0 . . ?
C115 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C119 C120 H120 120.0 . . ?
C122 C121 P11 116.9(11) . . ?
C122 C121 C126 120.0 . . ?
C126 C121 P11 122.7(11) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C122 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C124 C123 H123 120.0 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C132 C127 P11 120.3(11) . . ?
C132 C127 C128 120.0 . . ?
C128 C127 P11 119.5(11) . . ?
C127 C132 H132 120.0 . . ?
C131 C132 C127 120.0 . . ?
C131 C132 H132 120.0 . . ?
C132 C131 H131 120.0 . . ?
C132 C131 C130 120.0 . . ?
C130 C131 H131 120.0 . . ?
C131 C130 H130 120.0 . . ?
C129 C130 C131 120.0 . . ?
C129 C130 H130 120.0 . . ?
C130 C129 H129 120.0 . . ?
C130 C129 C128 120.0 . . ?
C128 C129 H129 120.0 . . ?
C127 C128 H128 120.0 . . ?
C129 C128 C127 120.0 . . ?
C129 C128 H128 120.0 . . ?
C134 C133 P12 121.8(10) . . ?
C134 C133 C138 120.0 . . ?
C138 C133 P12 118.2(10) . . ?
C133 C134 H134 120.0 . . ?
C135 C134 C133 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C137 C136 C135 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C136 C137 C138 120.0 . . ?
C138 C137 H137 120.0 . . ?
C133 C138 H138 120.0 . . ?
C137 C138 C133 120.0 . . ?
C137 C138 H138 120.0 . . ?
C140 C139 P12 121.4(10) . . ?
C140 C139 C144 120.0 . . ?
C144 C139 P12 118.1(10) . . ?
C139 C140 H140 120.0 . . ?
C141 C140 C139 120.0 . . ?
C141 C140 H140 120.0 . . ?
C140 C141 H141 120.0 . . ?
C140 C141 C142 120.0 . . ?
C142 C141 H141 120.0 . . ?
C141 C142 H142 120.0 . . ?
C143 C142 C141 120.0 . . ?
C143 C142 H142 120.0 . . ?
C142 C143 H143 120.0 . . ?
C142 C143 C144 120.0 . . ?
C144 C143 H143 120.0 . . ?
C139 C144 H144 120.0 . . ?
C143 C144 C139 120.0 . . ?
C143 C144 H144 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 N1 P2 -49(2) . . . . ?
Au1 P1 C7 C8 -39.2(18) . . . . ?
Au1 P1 C7 C12 132.4(12) . . . . ?
Au2 P2 N1 P1 38(3) . . . . ?
Au2 P2 C13 C14 -22.2(18) . . . . ?
Au2 P2 C13 C18 159.1(11) . . . . ?
Au3 P3 N2 P4 -19.9(19) . . . . ?
Au3 P3 C25 C26 -111.5(14) . . . . ?
Au3 P3 C25 C30 70.4(15) . . . . ?
Au3 P3 C31 C36 -34.8(10) . . . . ?
Au3 P3 C31 C32 151.5(7) . . . . ?
Au4 P4 N2 P3 3.1(19) . . . . ?
Au4 P4 C43 C44 -39.2(13) . . . . ?
Au4 P4 C43 C48 146.9(11) . . . . ?
Au5 P5 N3 P6 1(3) . . . . ?
Au5 P5 C49 C50 52.3(15) . . . . ?
Au5 P5 C49 C54 -125.6(12) . . . . ?
Au5 P5 C55 C56 -26.3(14) . . . . ?
Au5 P5 C55 C60 170.3(10) . . . . ?
Au6 P6 N3 P5 -14(3) . . . . ?
Au7 P7 N4 P8 18.5(18) . . . . ?
Au7 P7 C73 C74 17.1(15) . . . . ?
Au7 P7 C73 C78 -177.0(12) . . . . ?
Au7 P7 C79 C80 132.5(15) . . . . ?
Au7 P7 C79 C84 -55.7(18) . . . . ?
Au8 P8 N4 P7 -40(2) . . . . ?
Au9 P9 N5 P10 -20.7(18) . . . . ?
Au9 P9 C97 C98 26.2(14) . . . . ?
Au9 P9 C97 C102 -147.4(11) . . . . ?
Au9 P9 C103 C104 62.2(16) . . . . ?
Au9 P9 C103 C108 -124.3(12) . . . . ?
Au10 P10 N5 P9 8.4(19) . . . . ?
Au10 P10 C109 C110 168.8(16) . . . . ?
Au10 P10 C109 C114 -18(2) . . . . ?
Au10 P10 C115 C116 122.5(14) . . . . ?
Au10 P10 C115 C120 -69.1(15) . . . . ?
Au11 P11 N6 P12 -5.4(19) . . . . ?
Au11 P11 C121 C122 -70.8(13) . . . . ?
Au11 P11 C121 C126 101.2(14) . . . . ?
Au11 P11 C127 C132 -2.9(16) . . . . ?
Au11 P11 C127 C128 172.4(11) . . . . ?
Au12 P12 N6 P11 -9.8(17) . . . . ?
Au12 P12 C133 C134 -116.4(10) . . . . ?
Au12 P12 C133 C138 60.3(12) . . . . ?
Au12 P12 C139 C140 -165.3(8) . . . . ?
Au12 P12 C139 C144 23.2(13) . . . . ?
P1 C1 C2 C3 -177.5(19) . . . . ?
P1 C1 C6 C5 177.5(18) . . . . ?
P1 C7 C8 C9 171.7(19) . . . . ?
P1 C7 C12 C11 -171(2) . . . . ?
P2 C13 C14 C15 -179(2) . . . . ?
P2 C13 C18 C17 179(2) . . . . ?
P2 C19 C20 C21 178.2(16) . . . . ?
P2 C19 C24 C23 -178.1(18) . . . . ?
P3 C25 C26 C27 -178(2) . . . . ?
P3 C25 C30 C29 178(2) . . . . ?
P3 C31 C36 C35 -173.6(12) . . . . ?
P3 C31 C32 C33 173.7(12) . . . . ?
P4 C37 C38 C39 -177.1(15) . . . . ?
P4 C37 C42 C41 177.3(15) . . . . ?
P4 C43 C44 C45 -174.1(16) . . . . ?
P4 C43 C48 C47 173.7(17) . . . . ?
P5 C49 C50 C51 -178.0(18) . . . . ?
P5 C49 C54 C53 177.9(19) . . . . ?
P5 C55 C56 C57 -163.9(16) . . . . ?
P5 C55 C60 C59 162.8(18) . . . . ?
P6 C61 C62 C63 -158(2) . . . . ?
P6 C61 C66 C65 159(2) . . . . ?
P6 C67 C68 C69 -168.8(19) . . . . ?
P6 C67 C72 C71 169.7(18) . . . . ?
P7 C73 C74 C75 165.5(19) . . . . ?
P7 C73 C78 C77 -166.1(18) . . . . ?
P7 C79 C80 C81 172(2) . . . . ?
P7 C79 C84 C83 -172(2) . . . . ?
P8 C85 C86 C87 -175(2) . . . . ?
P8 C85 C90 C89 175(2) . . . . ?
P8 C91 C92 C93 180(2) . . . . ?
P8 C91 C96 C95 -179(3) . . . . ?
P9 C97 C98 C99 -173.5(16) . . . . ?
P9 C97 C102 C101 173.6(16) . . . . ?
P9 C103 C104 C105 174(2) . . . . ?
P9 C103 C108 C107 -174(2) . . . . ?
P10 C109 C110 C111 174(3) . . . . ?
P10 C109 C114 C113 -173(3) . . . . ?
P10 C115 C116 C117 168(2) . . . . ?
P10 C115 C120 C119 -169(2) . . . . ?
P11 C121 C122 C123 172.2(18) . . . . ?
P11 C121 C126 C125 -171.8(19) . . . . ?
P11 C127 C132 C131 175.2(19) . . . . ?
P11 C127 C128 C129 -175.2(19) . . . . ?
P12 C133 C134 C135 176.7(15) . . . . ?
P12 C133 C138 C137 -176.8(15) . . . . ?
P12 C139 C140 C141 -171.3(14) . . . . ?
P12 C139 C144 C143 171.6(13) . . . . ?
N1 P1 C7 C8 -172.3(13) . . . . ?
N1 P1 C7 C12 -0.7(19) . . . . ?
N1 P2 C13 C14 117.1(16) . . . . ?
N1 P2 C13 C18 -61.6(18) . . . . ?
N2 P3 C25 C26 25.6(18) . . . . ?
N2 P3 C25 C30 -152.4(15) . . . . ?
N2 P3 C31 C36 -164.9(11) . . . . ?
N2 P3 C31 C32 21.4(13) . . . . ?
N2 P4 C43 C44 93.9(15) . . . . ?
N2 P4 C43 C48 -80.0(17) . . . . ?
N3 P5 C49 C50 -179.0(14) . . . . ?
N3 P5 C49 C54 3.0(15) . . . . ?
N3 P5 C55 C56 -157.8(13) . . . . ?
N3 P5 C55 C60 38.7(16) . . . . ?
N4 P7 C73 C74 135.4(14) . . . . ?
N4 P7 C73 C78 -58.8(17) . . . . ?
N4 P7 C79 C80 17(2) . . . . ?
N4 P7 C79 C84 -171.2(16) . . . . ?
N5 P9 C97 C98 -97.7(14) . . . . ?
N5 P9 C97 C102 88.8(14) . . . . ?
N5 P9 C103 C104 -177.0(15) . . . . ?
N5 P9 C103 C108 -3.4(16) . . . . ?
N5 P10 C109 C110 43(2) . . . . ?
N5 P10 C109 C114 -143(2) . . . . ?
N5 P10 C115 C116 -109.3(17) . . . . ?
N5 P10 C115 C120 59.1(18) . . . . ?
N6 P11 C121 C122 59.4(14) . . . . ?
N6 P11 C121 C126 -128.6(15) . . . . ?
N6 P11 C127 C132 -141.5(14) . . . . ?
N6 P11 C127 C128 33.7(18) . . . . ?
N6 P12 C133 C134 4.4(14) . . . . ?
N6 P12 C133 C138 -178.9(11) . . . . ?
N6 P12 C139 C140 74.6(12) . . . . ?
N6 P12 C139 C144 -96.9(12) . . . . ?
C1 P1 N1 P2 -162(2) . . . . ?
C1 P1 C7 C8 83.0(16) . . . . ?
C1 P1 C7 C12 -105.5(15) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C7 P1 N1 P2 87(2) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 P2 N1 P1 -100(2) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C13 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C19 P2 N1 P1 149(2) . . . . ?
C19 P2 C13 C14 -133.2(15) . . . . ?
C19 P2 C13 C18 48.1(17) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C25 P3 N2 P4 -150.9(15) . . . . ?
C25 P3 C31 C36 84.2(12) . . . . ?
C25 P3 C31 C32 -89.5(12) . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C25 C30 C29 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C29 C30 C25 0.0 . . . . ?
C30 C25 C26 C27 0.0 . . . . ?
C31 P3 N2 P4 96.6(16) . . . . ?
C31 P3 C25 C26 135.8(14) . . . . ?
C31 P3 C25 C30 -42.3(16) . . . . ?
C31 C36 C35 C34 0.0 . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C35 C34 C33 C32 0.0 . . . . ?
C34 C33 C32 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
C37 P4 N2 P3 130.2(14) . . . . ?
C37 P4 C43 C44 -156.0(12) . . . . ?
C37 P4 C43 C48 30.1(15) . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C38 C37 C42 C41 0.0 . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C37 0.0 . . . . ?
C42 C37 C38 C39 0.0 . . . . ?
C43 P4 N2 P3 -122.6(14) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C43 C48 C47 0.0 . . . . ?
C44 C45 C46 C47 0.0 . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C46 C47 C48 C43 0.0 . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
C49 P5 N3 P6 -121(2) . . . . ?
C49 P5 C55 C56 96.7(17) . . . . ?
C49 P5 C55 C60 -66.7(18) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
C55 P5 N3 P6 130.1(19) . . . . ?
C55 P5 C49 C50 -74.6(17) . . . . ?
C55 P5 C49 C54 107.5(15) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C60 C55 C56 C57 0.0 . . . . ?
C61 P6 N3 P5 -124(2) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
C67 P6 N3 P5 123.7(18) . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C68 C67 C72 C71 0.0 . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C69 C70 C71 C72 0.0 . . . . ?
C70 C71 C72 C67 0.0 . . . . ?
C72 C67 C68 C69 0.0 . . . . ?
C73 P7 N4 P8 -102.3(18) . . . . ?
C73 P7 C79 C80 -105.9(19) . . . . ?
C73 P7 C79 C84 66(2) . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C74 C75 C76 C77 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C76 C77 C78 C73 0.0 . . . . ?
C78 C73 C74 C75 0.0 . . . . ?
C79 P7 N4 P8 136.0(18) . . . . ?
C79 P7 C73 C74 -103.8(18) . . . . ?
C79 P7 C73 C78 62.1(19) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C85 P8 N4 P7 -160.0(17) . . . . ?
C85 C86 C87 C88 0.0 . . . . ?
C86 C85 C90 C89 0.0 . . . . ?
C86 C87 C88 C89 0.0 . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C89 C90 C85 0.0 . . . . ?
C90 C85 C86 C87 0.0 . . . . ?
C91 P8 N4 P7 92(2) . . . . ?
C91 C92 C93 C94 0.0 . . . . ?
C92 C91 C96 C95 0.0 . . . . ?
C92 C93 C94 C95 0.0 . . . . ?
C93 C94 C95 C96 0.0 . . . . ?
C94 C95 C96 C91 0.0 . . . . ?
C96 C91 C92 C93 0.0 . . . . ?
C97 P9 N5 P10 106.0(15) . . . . ?
C97 P9 C103 C104 -66.6(17) . . . . ?
C97 P9 C103 C108 107.0(14) . . . . ?
C97 C98 C99 C100 0.0 . . . . ?
C98 C97 C102 C101 0.0 . . . . ?
C98 C99 C100 C101 0.0 . . . . ?
C99 C100 C101 C102 0.0 . . . . ?
C100 C101 C102 C97 0.0 . . . . ?
C102 C97 C98 C99 0.0 . . . . ?
C103 P9 N5 P10 -141.4(17) . . . . ?
C103 P9 C97 C98 152.1(14) . . . . ?
C103 P9 C97 C102 -21.4(16) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C104 C103 C108 C107 0.0 . . . . ?
C104 C105 C106 C107 0.0 . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C106 C107 C108 C103 0.0 . . . . ?
C108 C103 C104 C105 0.0 . . . . ?
C109 P10 N5 P9 129.9(19) . . . . ?
C109 P10 C115 C116 8(2) . . . . ?
C109 P10 C115 C120 176.2(17) . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C110 C109 C114 C113 0.0 . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C112 C113 C114 C109 0.0 . . . . ?
C114 C109 C110 C111 0.0 . . . . ?
C115 P10 N5 P9 -114.4(17) . . . . ?
C115 P10 C109 C110 -79(2) . . . . ?
C115 P10 C109 C114 95(2) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C119 C120 C115 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C121 P11 N6 P12 -128.0(15) . . . . ?
C121 P11 C127 C132 117.2(15) . . . . ?
C121 P11 C127 C128 -67.6(16) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C127 P11 N6 P12 128.2(14) . . . . ?
C127 P11 C121 C122 168.6(13) . . . . ?
C127 P11 C121 C126 -19.3(16) . . . . ?
C127 C132 C131 C130 0.0 . . . . ?
C132 C127 C128 C129 0.0 . . . . ?
C132 C131 C130 C129 0.0 . . . . ?
C131 C130 C129 C128 0.0 . . . . ?
C130 C129 C128 C127 0.0 . . . . ?
C128 C127 C132 C131 0.0 . . . . ?
C133 P12 N6 P11 -134.6(14) . . . . ?
C133 P12 C139 C140 -37.9(12) . . . . ?
C133 P12 C139 C144 150.7(11) . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C133 C138 C137 0.0 . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C137 C138 C133 0.0 . . . . ?
C138 C133 C134 C135 0.0 . . . . ?
C139 P12 N6 P11 118.7(15) . . . . ?
C139 P12 C133 C134 112.3(12) . . . . ?
C139 P12 C133 C138 -70.9(12) . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 C139 C144 C143 0.0 . . . . ?
C140 C141 C142 C143 0.0 . . . . ?
C141 C142 C143 C144 0.0 . . . . ?
C142 C143 C144 C139 0.0 . . . . ?
C144 C139 C140 C141 0.0 . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.048 0.484 0.291 13.0 0.0 ?
2 0.153 -0.477 0.998 744.7 162.6 ?
3 0.196 0.809 0.489 21.6 0.0 ?
4 0.347 -0.552 0.498 744.7 173.8 ?
5 0.304 0.309 -0.011 21.6 0.9 ?
6 0.452 -0.016 0.791 13.0 0.0 ?
7 0.548 0.016 0.291 13.0 0.0 ?
8 0.653 -0.576 0.998 744.7 160.3 ?
9 0.696 0.691 0.489 21.6 0.0 ?
10 0.847 -0.031 0.498 744.7 171.5 ?
11 0.804 0.191 -0.011 21.6 0.0 ?
12 0.952 0.516 0.791 13.0 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'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.520(15)
2 0.480(15)

# start Validation Reply Form
_vrf_STRVA01_Au13Hdppa6Cl5       
;
PROBLEM: Flack test results are ambiguous.
RESPONSE: The structure is modelled as a racemic twin so Flack 
parameter is not relevant.
;
_vrf_PLAT411_Au13Hdppa6Cl5       
;
PROBLEM: Short Inter H...H Contact  H57      ..H64      .       1.78 Ang.  
PROBLEM: Short Inter H...H Contact  H71      ..H111    .       1.75 Ang. 
RESPONSE:  Moderate data quality was in context with severe desolvation 
prior to X-ray data collection. Twinning rule was used to solve struture and 
obtained definitive results. However, there is still a large amout of disorder 
in the structure.
;
_vrf_PLAT234_Au13Hdppa6Cl5       
;
PROBLEM: Large Hirshfeld Difference P9       --C103     .       0.27 Ang.  
RESPONSE: There is a large amout of disorder in the structure including 
the phenyl ring carbons, which are processed with constraints. 
;
_vrf_PLAT342_Au13Hdppa6Cl5       
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0334 Ang.  
RESPONSE: Most of phenyl ring carbons are still somewhat mobile 
despite collecting data at low temperature of 210 K. Although 
constraints/restraints were carried out, this problem still cannot 
be solved perfectly.
;
_vrf_PLAT414_Au13Hdppa6Cl5       
;
PROBLEM: Short Intra D-H..H-X       H5       ..H108     .       1.82 Ang.  
RESPONSE: Twinning rule was used to solve struture and obtained definitive 
results. However, there is still a large amout of disorder in the structure.
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: methanol/isopropyl ether'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_Au13(PNP)5Cl5
_database_code_depnum_ccdc_archive 'CCDC 2330058'
loop_
_audit_author_name
_audit_author_address
'Jian-Hua Jia'
;Sun Yat Sen University
China
;
_audit_update_record             
;
2024-01-31 deposited with the CCDC.	2024-03-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Au13(PNP)5Cl5
_chemical_formula_moiety         'C145 H115 Au13 Cl2 N5 P10, 3(Cl), C H4 O'
_chemical_formula_sum            'C146 H119 Au13 Cl5 N5 O P10'
_chemical_formula_weight         5006.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuCHPN
_chemical_oxdiff_usercomment     47A4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   31.9023(4)
_cell_length_b                   27.8580(4)
_cell_length_c                   34.1479(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     30348.4(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    12312
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      75.7480
_cell_measurement_theta_min      3.1630
_shelx_estimated_absorpt_T_max   0.787
_shelx_estimated_absorpt_T_min   0.152
_exptl_absorpt_coefficient_mu    25.150
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.192
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             18400
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1253
_diffrn_reflns_av_unetI/netI     0.1337
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            74245
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        62.498
_diffrn_reflns_theta_max         62.498
_diffrn_reflns_theta_min         2.588
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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 -20.00   1.00   15.00    --  -42.06 -38.00   0.00   93
  2  ω    -64.00   5.00   1.00   15.00    --  -42.06  57.00 150.00   69
  3  ω     54.00  79.00   1.00   15.00    --   42.06-122.00 125.00   25
  4  ω     36.00  62.00   1.00   60.00    --  111.00 -30.00 -60.00   26
  5  ω     88.00 178.00   1.00   60.00    --  111.00  30.00 -60.00   90
  6  ω     44.00 109.00   1.00   60.00    --  111.00-111.00 120.00   65
  7  ω     50.00 103.00   1.00   60.00    --  111.00-111.00  30.00   53
  8  ω     99.00 134.00   1.00   60.00    --  111.00 -30.00 -60.00   35
  9  ω    126.00 176.00   1.00   60.00    --  111.00 111.00 -30.00   50
;
_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      0.0033987000
_diffrn_orient_matrix_UB_12      -0.0134510000
_diffrn_orient_matrix_UB_13      -0.0436653000
_diffrn_orient_matrix_UB_21      -0.0064353000
_diffrn_orient_matrix_UB_22      -0.0532691000
_diffrn_orient_matrix_UB_23      0.0104684000
_diffrn_orient_matrix_UB_31      -0.0477173000
_diffrn_orient_matrix_UB_32      0.0062755000
_diffrn_orient_matrix_UB_33      -0.0046018000
_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                14203
_reflns_number_total             24196
_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 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         4.351
_refine_diff_density_min         -4.968
_refine_diff_density_rms         0.431
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1569
_refine_ls_number_reflns         24196
_refine_ls_number_restraints     1104
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0805
_refine_ls_restrained_S_all      0.899
_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)+(0.1084P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1949
_refine_ls_wR_factor_ref         0.2142
_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, All O(H) groups
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 2A with sigma of 0.008
and sigma for terminal atoms of 0.016 within 2A
C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim N2: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C47 \\sim C48: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C65 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C88 \\sim C89 \\sim C90 \\sim C91 \\sim C92 \\sim C93: within 2A with sigma of
0.008 and sigma for terminal atoms of 0.016 within 2A
C105 \\sim C106 \\sim C107 \\sim C108 \\sim C109 \\sim C110: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C111 \\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116: within 2A with
sigma of 0.008 and sigma for terminal atoms of 0.016 within 2A
C117 \\sim C118 \\sim C119 \\sim C120 \\sim C121 \\sim C122: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C123 \\sim C124 \\sim C125 \\sim C126 \\sim C127 \\sim C128: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C129 \\sim C130 \\sim C131 \\sim C132 \\sim C133 \\sim N5: within 2A with sigma
of 0.008 and sigma for terminal atoms of 0.016 within 2A
C134 \\sim C135 \\sim C136 \\sim C137 \\sim C138 \\sim C139: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C140 \\sim C141 \\sim C142 \\sim C143 \\sim C144 \\sim C145: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
O1S \\sim C1S: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
Uanis(C1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of
0.008 and sigma for terminal atoms of 0.016
Uanis(C8) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12)
\\sim Ueq, Uanis(C13) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C10) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of
0.016 and sigma for terminal atoms of 0.032
Uanis(C16) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(N1) \\sim Ueq: with sigma of
0.006 and sigma for terminal atoms of 0.012
Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C25) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of 0.008 and sigma for
terminal atoms of 0.016
Uanis(C30) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C31) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.006 and sigma for
terminal atoms of 0.012
Uanis(N2) \\sim Ueq: with sigma of 0.016 and sigma for terminal atoms of 0.032
Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C48) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C54)
\\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C62) \\sim Ueq:
with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(C63) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C68) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C76)
\\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(C73) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C81)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C78) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C80) \\sim Ueq: with sigma of
0.016 and sigma for terminal atoms of 0.032
Uanis(N3) \\sim Ueq, Uanis(N4) \\sim Ueq: with sigma of 0.004 and sigma for
terminal atoms of 0.008
Uanis(C83) \\sim Ueq, Uanis(C87) \\sim Ueq: with sigma of 0.006 and sigma for
terminal atoms of 0.012
Uanis(C86) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C89) \\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq: with sigma of
0.008 and sigma for terminal atoms of 0.016
Uanis(C95) \\sim Ueq, Uanis(C97) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C99)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C96) \\sim Ueq: with sigma of 0.016 and sigma for terminal atoms of 0.032
Uanis(C100) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C105) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C101) \\sim Ueq, Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq,
Uanis(C112) \\sim Ueq, Uanis(C115) \\sim Ueq: with sigma of 0.008 and sigma for
terminal atoms of 0.016
Uanis(C117) \\sim Ueq, Uanis(C118) \\sim Ueq, Uanis(C119) \\sim Ueq,
Uanis(C120) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C123) \\sim Ueq, Uanis(C124) \\sim Ueq, Uanis(N5) \\sim Ueq, Uanis(C131)
\\sim Ueq: with sigma of 0.008 and sigma for terminal atoms of 0.016
Uanis(C132) \\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(C143) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1S) \\sim Ueq: with sigma of 0.016 and sigma for terminal atoms of 0.032
3. Others
 Fixed Sof: Cl4(0.65) Cl5(0.4) Cl6(0.6) Cl7(0.35)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22),
  C23(H23), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C31(H31),
 C32(H32), C33(H33), C34(H34), C35(H35), C37(H37), C38(H38), C39(H39), C40(H40),
  C41(H41), C43(H43), C44(H44), C45(H45), C48(H48), C49(H49), C50(H50),
 C51(H51), C52(H52), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C60(H60),
  C61(H61), C62(H62), C63(H63), C64(H64), C66(H66), C67(H67), C68(H68),
 C69(H69), C70(H70), C72(H72), C73(H73), C74(H74), C77(H77), C78(H78), C79(H79),
  C80(H80), C81(H81), C83(H83), C84(H84), C85(H85), C86(H86), C87(H87),
 C89(H89), C90(H90), C91(H91), C92(H92), C93(H93), C95(H95), C96(H96), C97(H97),
  C98(H98), C99(H99), C101(H101), C102(H102), C103(H103), C106(H106),
 C107(H107), C108(H108), C109(H109), C110(H110), C112(H112), C113(H113),
 C114(H114), C115(H115), C116(H116), C118(H118), C119(H119), C120(H120),
 C121(H121), C122(H122), C124(H124), C125(H125), C126(H126), C127(H127),
 C128(H128), C130(H130), C131(H131), C132(H132), C135(H135), C136(H136),
 C137(H137), C138(H138), C139(H139), C141(H141), C142(H142), C143(H143),
 C144(H144), C145(H145)
4.b Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C53(C54,C55,C56,C57,C58), C65(C66,C67,C68,C69,C70),
 C88(C89,C90,C91,C92,C93), C105(C106,C107,C108,C109,C110), C134(C135,C136,C137,
 C138,C139)
4.c Idealised Me refined as rotating group:
 C1S(H1SA,H1SB,H1SC)
4.d Idealised tetrahedral OH refined as rotating group:
 O1S(H1S)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.74454(3) 0.18068(3) 0.13530(3) 0.0220(2) Uani 1 1 d . . . . .
Au2 Au 0.78446(3) 0.12823(3) 0.19831(3) 0.0219(2) Uani 1 1 d . . . . .
Au3 Au 0.81564(3) 0.12275(3) 0.11678(3) 0.0206(2) Uani 1 1 d . . . . .
Au4 Au 0.74293(3) 0.12350(3) 0.06422(3) 0.0199(2) Uani 1 1 d . . . . .
Au5 Au 0.66864(3) 0.13172(3) 0.11155(3) 0.0201(2) Uani 1 1 d . . . . .
Au6 Au 0.69380(3) 0.13588(3) 0.19369(3) 0.0212(2) Uani 1 1 d . . . . .
Au7 Au 0.73977(3) 0.03949(3) 0.21250(3) 0.0212(2) Uani 1 1 d . . . . .
Au8 Au 0.81137(3) 0.03408(3) 0.16006(3) 0.0203(2) Uani 1 1 d . . . . .
Au9 Au 0.77781(3) 0.03092(3) 0.08032(3) 0.0212(2) Uani 1 1 d . . . . .
Au10 Au 0.68662(3) 0.03491(3) 0.08614(3) 0.0217(2) Uani 1 1 d . . . . .
Au11 Au 0.66481(3) 0.04394(3) 0.16716(3) 0.0205(2) Uani 1 1 d . . . . .
Au12 Au 0.73525(3) -0.01622(3) 0.14231(3) 0.0208(2) Uani 1 1 d . . . . .
Au13 Au 0.73901(3) 0.08291(3) 0.13899(3) 0.01604(19) Uani 1 1 d . . . . .
Cl1 Cl 0.74822(19) 0.2645(2) 0.13458(19) 0.0327(13) Uani 1 1 d . . . . .
Cl2 Cl 0.73407(17) -0.0997(2) 0.14004(19) 0.0287(12) Uani 1 1 d . . . . .
P1 P 0.83011(18) 0.1611(2) 0.24410(17) 0.0235(12) Uani 1 1 d . . . . .
P2 P 0.86986(17) -0.0015(2) 0.18652(19) 0.0237(13) Uani 1 1 d . . . . .
P3 P 0.87737(18) 0.1494(2) 0.08949(19) 0.0257(13) Uani 1 1 d . . . . .
P4 P 0.81897(19) -0.0065(2) 0.03459(17) 0.0230(12) Uani 1 1 d . . . . .
P5 P 0.73028(18) 0.1540(2) 0.00267(18) 0.0240(12) Uani 1 1 d . . . . .
P6 P 0.65000(19) -0.0001(2) 0.03574(17) 0.0246(13) Uani 1 1 d . . . . .
P7 P 0.60548(19) 0.1688(2) 0.09786(19) 0.0269(13) Uani 1 1 d . . . . .
P8 P 0.59942(17) 0.0142(2) 0.17896(18) 0.0220(12) Uani 1 1 d . . . . .
P9 P 0.66429(19) 0.1736(2) 0.24719(17) 0.0234(12) Uani 1 1 d . . . . .
P10 P 0.7250(2) 0.0057(2) 0.27202(17) 0.0267(13) Uani 1 1 d . . . . .
C1 C 0.8575(4) 0.2152(5) 0.2255(5) 0.030(3) Uani 1 1 d G U . . .
C2 C 0.8389(4) 0.2383(6) 0.1939(5) 0.035(4) Uani 1 1 d G U . . .
H2 H 0.812434 0.227797 0.184491 0.042 Uiso 1 1 calc R U . . .
C3 C 0.8591(5) 0.2767(6) 0.1760(4) 0.035(4) Uani 1 1 d G U . . .
H3 H 0.846391 0.292431 0.154341 0.042 Uiso 1 1 calc R U . . .
C4 C 0.8979(5) 0.2920(5) 0.1897(5) 0.037(4) Uani 1 1 d G U . . .
H4 H 0.911675 0.318217 0.177434 0.044 Uiso 1 1 calc R U . . .
C5 C 0.9165(4) 0.2689(6) 0.2213(5) 0.034(4) Uani 1 1 d G U . . .
H5 H 0.943003 0.279370 0.230677 0.040 Uiso 1 1 calc R U . . .
C6 C 0.8963(4) 0.2305(5) 0.2392(4) 0.029(3) Uani 1 1 d G U . . .
H6 H 0.909046 0.214736 0.260827 0.035 Uiso 1 1 calc R U . . .
C7 C 0.8124(8) 0.1717(10) 0.2941(8) 0.033(6) Uani 1 1 d . U . . .
C8 C 0.8332(9) 0.2027(11) 0.3196(9) 0.042(7) Uani 1 1 d . U . . .
H8 H 0.856796 0.220318 0.310540 0.051 Uiso 1 1 calc R U . . .
C9 C 0.8199(10) 0.2081(12) 0.3577(10) 0.053(8) Uani 1 1 d . U . . .
H9 H 0.834555 0.228373 0.375462 0.063 Uiso 1 1 calc R U . . .
C10 C 0.7854(11) 0.1836(13) 0.3691(10) 0.059(9) Uani 1 1 d . U . . .
H10 H 0.775361 0.187493 0.395120 0.070 Uiso 1 1 calc R U . . .
C11 C 0.7653(10) 0.1545(11) 0.3452(9) 0.049(8) Uani 1 1 d . U . . .
H11 H 0.742751 0.135747 0.355072 0.058 Uiso 1 1 calc R U . . .
C12 C 0.7762(8) 0.1505(10) 0.3065(8) 0.035(6) Uani 1 1 d . U . . .
H12 H 0.758876 0.133379 0.288740 0.042 Uiso 1 1 calc R U . . .
C13 C 0.8721(7) 0.1160(8) 0.2492(7) 0.024(5) Uani 1 1 d . U . . .
C14 C 0.9084(10) 0.1164(12) 0.2719(10) 0.052(8) Uani 1 1 d . U . . .
H14 H 0.914016 0.142091 0.289440 0.063 Uiso 1 1 calc R U . . .
C15 C 0.9355(8) 0.0789(9) 0.2682(8) 0.034(6) Uani 1 1 d . U . . .
H15 H 0.959885 0.077960 0.284123 0.041 Uiso 1 1 calc R U . . .
C16 C 0.9283(8) 0.0424(10) 0.2419(8) 0.035(6) Uani 1 1 d . U . . .
H16 H 0.948149 0.017391 0.238299 0.042 Uiso 1 1 calc R U . . .
C17 C 0.8904(7) 0.0434(9) 0.2204(8) 0.028(5) Uani 1 1 d . U . . .
N1 N 0.8628(5) 0.0787(6) 0.2243(5) 0.018(4) Uani 1 1 d . U . . .
C18 C 0.9145(8) -0.0200(10) 0.1563(9) 0.038(4) Uani 1 1 d . U . . .
C19 C 0.9252(9) 0.0105(11) 0.1275(9) 0.044(4) Uani 1 1 d . U . . .
H19 H 0.910429 0.039951 0.124814 0.053 Uiso 1 1 calc R U . . .
C20 C 0.9577(10) -0.0001(11) 0.1013(10) 0.050(4) Uani 1 1 d . U . . .
H20 H 0.963807 0.021091 0.080327 0.060 Uiso 1 1 calc R U . . .
C21 C 0.9806(9) -0.0414(11) 0.1062(10) 0.049(4) Uani 1 1 d . U . . .
H21 H 1.003431 -0.048525 0.089231 0.059 Uiso 1 1 calc R U . . .
C22 C 0.9698(9) -0.0726(11) 0.1365(10) 0.047(4) Uani 1 1 d . U . . .
H22 H 0.985017 -0.101465 0.140833 0.056 Uiso 1 1 calc R U . . .
C23 C 0.9362(8) -0.0604(10) 0.1602(9) 0.041(4) Uani 1 1 d . U . . .
H23 H 0.928181 -0.082049 0.180370 0.049 Uiso 1 1 calc R U . . .
C24 C 0.8559(7) -0.0546(9) 0.2163(8) 0.032(4) Uani 1 1 d . U . . .
C25 C 0.8793(8) -0.0686(10) 0.2489(9) 0.039(4) Uani 1 1 d . U . . .
H25 H 0.903356 -0.050899 0.256708 0.047 Uiso 1 1 calc R U . . .
C26 C 0.8663(8) -0.1100(10) 0.2704(9) 0.039(4) Uani 1 1 d . U . . .
H26 H 0.879654 -0.118787 0.294168 0.047 Uiso 1 1 calc R U . . .
C27 C 0.8350(8) -0.1360(10) 0.2560(9) 0.038(4) Uani 1 1 d . U . . .
H27 H 0.827287 -0.164640 0.269253 0.046 Uiso 1 1 calc R U . . .
C28 C 0.8133(8) -0.1234(9) 0.2233(8) 0.033(4) Uani 1 1 d . U . . .
H28 H 0.791070 -0.143471 0.214776 0.040 Uiso 1 1 calc R U . . .
C29 C 0.8226(7) -0.0823(9) 0.2019(8) 0.032(4) Uani 1 1 d . U . . .
H29 H 0.807418 -0.073639 0.179090 0.038 Uiso 1 1 calc R U . . .
C30 C 0.8766(8) 0.2118(10) 0.0712(8) 0.037(6) Uani 1 1 d . U . . .
C31 C 0.8396(8) 0.2353(10) 0.0739(8) 0.036(6) Uani 1 1 d . U . . .
H31 H 0.816958 0.220869 0.087711 0.043 Uiso 1 1 calc R U . . .
C32 C 0.8340(8) 0.2811(9) 0.0566(8) 0.035(6) Uani 1 1 d . U . . .
H32 H 0.807746 0.297204 0.057527 0.042 Uiso 1 1 calc R U . . .
C33 C 0.8689(9) 0.3014(12) 0.0381(10) 0.051(8) Uani 1 1 d . U . . .
H33 H 0.866446 0.332754 0.027363 0.061 Uiso 1 1 calc R U . . .
C34 C 0.9061(9) 0.2781(11) 0.0350(10) 0.047(7) Uani 1 1 d . U . . .
H34 H 0.928680 0.292799 0.021398 0.057 Uiso 1 1 calc R U . . .
C35 C 0.9117(7) 0.2325(9) 0.0517(8) 0.029(5) Uani 1 1 d . U . . .
H35 H 0.937781 0.216157 0.050042 0.035 Uiso 1 1 calc R U . . .
C36 C 0.9251(8) 0.1445(11) 0.1160(9) 0.041(4) Uani 1 1 d . U . . .
C37 C 0.9641(8) 0.1320(11) 0.0998(10) 0.044(4) Uani 1 1 d . U . . .
H37 H 0.966137 0.123017 0.073011 0.053 Uiso 1 1 calc R U . . .
C38 C 0.9988(9) 0.1328(11) 0.1226(10) 0.047(4) Uani 1 1 d . U . . .
H38 H 1.024946 0.125452 0.110641 0.057 Uiso 1 1 calc R U . . .
C39 C 0.9989(9) 0.1433(11) 0.1607(10) 0.048(4) Uani 1 1 d . U . . .
H39 H 1.024276 0.143021 0.175221 0.058 Uiso 1 1 calc R U . . .
C40 C 0.9610(8) 0.1548(11) 0.1788(10) 0.045(4) Uani 1 1 d . U . . .
H40 H 0.959702 0.161918 0.206025 0.054 Uiso 1 1 calc R U . . .
C41 C 0.9248(8) 0.1554(11) 0.1552(9) 0.043(4) Uani 1 1 d . U . . .
H41 H 0.898825 0.163754 0.166982 0.051 Uiso 1 1 calc R U . . .
C42 C 0.8828(9) 0.1104(10) 0.0461(8) 0.039(4) Uani 1 1 d . U . . .
C43 C 0.9072(10) 0.1186(11) 0.0128(9) 0.048(4) Uani 1 1 d . U . . .
H43 H 0.924690 0.146113 0.010559 0.058 Uiso 1 1 calc R U . . .
C44 C 0.9047(10) 0.0852(11) -0.0163(10) 0.052(4) Uani 1 1 d . U . . .
H44 H 0.920286 0.090041 -0.039662 0.063 Uiso 1 1 calc R U . . .
C45 C 0.8800(10) 0.0439(11) -0.0128(10) 0.049(4) Uani 1 1 d . U . . .
H45 H 0.877954 0.020427 -0.032909 0.059 Uiso 1 1 calc R U . . .
C46 C 0.8584(8) 0.0403(10) 0.0227(8) 0.038(4) Uani 1 1 d . U . . .
N2 N 0.8612(7) 0.0712(8) 0.0520(7) 0.033(3) Uani 1 1 d . U . . .
C47 C 0.7972(8) -0.0210(10) -0.0132(8) 0.034(5) Uani 1 1 d . U . . .
C48 C 0.7656(9) 0.0074(11) -0.0263(9) 0.041(5) Uani 1 1 d . U . . .
H48 H 0.756108 0.034008 -0.011382 0.049 Uiso 1 1 calc R U . . .
C49 C 0.7474(10) -0.0036(12) -0.0626(10) 0.053(8) Uani 1 1 d . U . . .
H49 H 0.724758 0.015776 -0.071287 0.063 Uiso 1 1 calc R U . . .
C50 C 0.7598(10) -0.0396(13) -0.0859(11) 0.056(8) Uani 1 1 d . U . . .
H50 H 0.747337 -0.045134 -0.110730 0.067 Uiso 1 1 calc R U . . .
C51 C 0.7919(9) -0.0682(10) -0.0717(9) 0.041(7) Uani 1 1 d . U . . .
H51 H 0.801886 -0.094018 -0.087284 0.049 Uiso 1 1 calc R U . . .
C52 C 0.8098(8) -0.0598(9) -0.0351(8) 0.033(6) Uani 1 1 d . U . . .
H52 H 0.830703 -0.080861 -0.025311 0.040 Uiso 1 1 calc R U . . .
C53 C 0.8460(4) -0.0585(5) 0.0525(4) 0.024(5) Uani 1 1 d G U . . .
C54 C 0.8853(4) -0.0719(6) 0.0387(5) 0.038(6) Uani 1 1 d G U . . .
H54 H 0.898196 -0.054077 0.018253 0.045 Uiso 1 1 calc R U . . .
C55 C 0.9056(4) -0.1115(7) 0.0546(6) 0.053(8) Uani 1 1 d G U . . .
H55 H 0.932434 -0.120636 0.045164 0.064 Uiso 1 1 calc R U . . .
C56 C 0.8867(5) -0.1376(6) 0.0845(5) 0.049(8) Uani 1 1 d G U . . .
H56 H 0.900592 -0.164594 0.095410 0.058 Uiso 1 1 calc R U . . .
C57 C 0.8474(5) -0.1241(5) 0.0983(5) 0.042(7) Uani 1 1 d G U . . .
H57 H 0.834512 -0.141994 0.118747 0.050 Uiso 1 1 calc R U . . .
C58 C 0.8271(4) -0.0846(5) 0.0824(4) 0.019(5) Uani 1 1 d G U . . .
H58 H 0.800273 -0.075434 0.091837 0.023 Uiso 1 1 calc R U . . .
C59 C 0.7116(8) 0.2152(10) 0.0033(8) 0.035(4) Uani 1 1 d . U . . .
C60 C 0.7098(8) 0.2390(10) 0.0371(9) 0.038(4) Uani 1 1 d . U . . .
H60 H 0.718419 0.223134 0.060345 0.046 Uiso 1 1 calc R U . . .
C61 C 0.6961(9) 0.2851(10) 0.0397(10) 0.044(4) Uani 1 1 d . U . . .
H61 H 0.695012 0.300912 0.064330 0.053 Uiso 1 1 calc R U . . .
C62 C 0.6834(9) 0.3095(11) 0.0047(10) 0.046(4) Uani 1 1 d . U . . .
H62 H 0.673310 0.341614 0.005535 0.056 Uiso 1 1 calc R U . . .
C63 C 0.6863(9) 0.2847(11) -0.0302(10) 0.048(4) Uani 1 1 d . U . . .
H63 H 0.677968 0.300121 -0.053720 0.058 Uiso 1 1 calc R U . . .
C64 C 0.7000(9) 0.2408(10) -0.0317(9) 0.042(4) Uani 1 1 d . U . . .
H64 H 0.702556 0.225326 -0.056383 0.051 Uiso 1 1 calc R U . . .
C65 C 0.7719(6) 0.1545(9) -0.0347(6) 0.063(5) Uani 1 1 d G U . . .
C66 C 0.7682(6) 0.1334(9) -0.0714(7) 0.075(6) Uani 1 1 d G U . . .
H66 H 0.743768 0.115677 -0.077871 0.090 Uiso 1 1 calc R U . . .
C67 C 0.8004(8) 0.1382(10) -0.0986(6) 0.081(6) Uani 1 1 d G U . . .
H67 H 0.797867 0.123759 -0.123673 0.097 Uiso 1 1 calc R U . . .
C68 C 0.8362(6) 0.1641(10) -0.0891(7) 0.078(6) Uani 1 1 d G U . . .
H68 H 0.858150 0.167401 -0.107664 0.093 Uiso 1 1 calc R U . . .
C69 C 0.8399(6) 0.1852(9) -0.0524(7) 0.073(6) Uani 1 1 d G U . . .
H69 H 0.864334 0.202962 -0.045852 0.088 Uiso 1 1 calc R U . . .
C70 C 0.8077(7) 0.1804(9) -0.0251(6) 0.070(6) Uani 1 1 d G U . . .
H70 H 0.810236 0.194881 -0.000049 0.084 Uiso 1 1 calc R U . . .
C71 C 0.6881(7) 0.1168(7) -0.0168(7) 0.021(5) Uani 1 1 d . U . . .
C72 C 0.6618(8) 0.1243(10) -0.0490(8) 0.037(6) Uani 1 1 d . U . . .
H72 H 0.665600 0.152058 -0.064780 0.045 Uiso 1 1 calc R U . . .
C73 C 0.6313(8) 0.0928(9) -0.0581(8) 0.032(6) Uani 1 1 d . U . . .
H73 H 0.613694 0.098579 -0.080077 0.038 Uiso 1 1 calc R U . . .
C74 C 0.6254(8) 0.0504(10) -0.0346(8) 0.038(6) Uani 1 1 d . U . . .
H74 H 0.605082 0.026635 -0.040893 0.045 Uiso 1 1 calc R U . . .
C75 C 0.6513(7) 0.0465(8) -0.0021(7) 0.021(5) Uani 1 1 d . U . . .
N3 N 0.6821(5) 0.0769(6) 0.0049(5) 0.016(4) Uani 1 1 d . U . . .
C76 C 0.5944(7) -0.0163(9) 0.0382(7) 0.029(5) Uani 1 1 d . U . . .
C77 C 0.5678(9) 0.0155(12) 0.0565(9) 0.047(7) Uani 1 1 d . U . . .
H77 H 0.579247 0.043124 0.068858 0.056 Uiso 1 1 calc R U . . .
C78 C 0.5255(9) 0.0086(12) 0.0575(10) 0.046(7) Uani 1 1 d . U . . .
H78 H 0.507920 0.032588 0.068470 0.055 Uiso 1 1 calc R U . . .
C79 C 0.5082(9) -0.0321(11) 0.0429(9) 0.044(7) Uani 1 1 d . U . . .
H79 H 0.479053 -0.038180 0.045973 0.053 Uiso 1 1 calc R U . . .
C80 C 0.5343(12) -0.0658(14) 0.0231(13) 0.071(11) Uani 1 1 d . U . . .
H80 H 0.522420 -0.093452 0.011195 0.085 Uiso 1 1 calc R U . . .
C81 C 0.5777(8) -0.0576(10) 0.0212(10) 0.043(7) Uani 1 1 d . U . . .
H81 H 0.595472 -0.080048 0.008532 0.051 Uiso 1 1 calc R U . . .
C82 C 0.6752(7) -0.0543(9) 0.0150(7) 0.026(4) Uani 1 1 d . U . . .
C83 C 0.6688(8) -0.0677(10) -0.0237(8) 0.036(4) Uani 1 1 d . U . . .
H83 H 0.651350 -0.049061 -0.040307 0.043 Uiso 1 1 calc R U . . .
C84 C 0.6888(9) -0.1102(10) -0.0381(9) 0.041(4) Uani 1 1 d . U . . .
H84 H 0.682841 -0.122116 -0.063563 0.049 Uiso 1 1 calc R U . . .
C85 C 0.7171(9) -0.1333(10) -0.0139(9) 0.042(4) Uani 1 1 d . U . . .
H85 H 0.733050 -0.159512 -0.023557 0.051 Uiso 1 1 calc R U . . .
C86 C 0.7223(8) -0.1178(9) 0.0256(8) 0.036(4) Uani 1 1 d . U . . .
H86 H 0.740105 -0.135539 0.042543 0.043 Uiso 1 1 calc R U . . .
C87 C 0.7028(7) -0.0788(8) 0.0393(8) 0.029(4) Uani 1 1 d . U . . .
H87 H 0.707641 -0.068099 0.065321 0.034 Uiso 1 1 calc R U . . .
C88 C 0.5991(6) 0.2238(6) 0.1266(5) 0.042(4) Uani 1 1 d G U . . .
C89 C 0.6351(4) 0.2421(7) 0.1441(6) 0.046(4) Uani 1 1 d G U . . .
H89 H 0.661535 0.227741 0.139023 0.056 Uiso 1 1 calc R U . . .
C90 C 0.6323(5) 0.2813(7) 0.1691(6) 0.049(4) Uani 1 1 d G U . . .
H90 H 0.656804 0.293831 0.181085 0.059 Uiso 1 1 calc R U . . .
C91 C 0.5935(6) 0.3023(6) 0.1765(6) 0.053(4) Uani 1 1 d G U . . .
H91 H 0.591602 0.329106 0.193616 0.063 Uiso 1 1 calc R U . . .
C92 C 0.5576(5) 0.2840(7) 0.1590(6) 0.054(4) Uani 1 1 d G U . . .
H92 H 0.531131 0.298292 0.164084 0.065 Uiso 1 1 calc R U . . .
C93 C 0.5604(5) 0.2447(7) 0.1340(6) 0.048(4) Uani 1 1 d G U . . .
H93 H 0.535861 0.232202 0.122022 0.058 Uiso 1 1 calc R U . . .
C94 C 0.5877(7) 0.1842(9) 0.0493(7) 0.028(5) Uani 1 1 d . U . . .
C95 C 0.5963(10) 0.2295(13) 0.0339(10) 0.054(8) Uani 1 1 d . U . . .
H95 H 0.609619 0.252908 0.049845 0.064 Uiso 1 1 calc R U . . .
C96 C 0.5858(12) 0.2405(15) -0.0040(12) 0.070(10) Uani 1 1 d . U . . .
H96 H 0.590914 0.271917 -0.013780 0.085 Uiso 1 1 calc R U . . .
C97 C 0.5679(10) 0.2067(13) -0.0279(12) 0.061(9) Uani 1 1 d . U . . .
H97 H 0.561933 0.214632 -0.054359 0.073 Uiso 1 1 calc R U . . .
C98 C 0.5582(10) 0.1601(12) -0.0138(10) 0.051(8) Uani 1 1 d . U . . .
H98 H 0.545550 0.136340 -0.029835 0.061 Uiso 1 1 calc R U . . .
C99 C 0.5686(11) 0.1516(13) 0.0250(11) 0.058(9) Uani 1 1 d . U . . .
H99 H 0.561893 0.120967 0.035589 0.070 Uiso 1 1 calc R U . . .
C100 C 0.5657(8) 0.1269(9) 0.1190(8) 0.032(6) Uani 1 1 d . U . . .
C101 C 0.5233(7) 0.1294(9) 0.1138(8) 0.028(5) Uani 1 1 d . U . . .
H101 H 0.509869 0.152209 0.097336 0.034 Uiso 1 1 calc R U . . .
C102 C 0.5020(7) 0.0946(9) 0.1354(8) 0.028(5) Uani 1 1 d . U . . .
H102 H 0.472226 0.096044 0.135866 0.033 Uiso 1 1 calc R U . . .
C103 C 0.5207(8) 0.0591(9) 0.1558(8) 0.030(6) Uani 1 1 d . U . . .
H103 H 0.504972 0.035219 0.169206 0.036 Uiso 1 1 calc R U . . .
C104 C 0.5641(7) 0.0594(8) 0.1559(7) 0.024(5) Uani 1 1 d . U . . .
N4 N 0.5861(6) 0.0914(6) 0.1380(6) 0.020(4) Uani 1 1 d . U . . .
C105 C 0.5768(9) 0.0064(10) 0.2276(6) 0.078(6) Uani 1 1 d G U . . .
C106 C 0.5759(9) 0.0471(8) 0.2513(8) 0.084(6) Uani 1 1 d G U . . .
H106 H 0.586933 0.076548 0.241836 0.101 Uiso 1 1 calc R U . . .
C107 C 0.5588(9) 0.0446(8) 0.2887(7) 0.088(6) Uani 1 1 d G U . . .
H107 H 0.558193 0.072340 0.304788 0.106 Uiso 1 1 calc R U . . .
C108 C 0.5426(9) 0.0014(10) 0.3024(6) 0.088(6) Uani 1 1 d G U . . .
H108 H 0.530944 -0.000272 0.327996 0.106 Uiso 1 1 calc R U . . .
C109 C 0.5435(9) -0.0392(8) 0.2788(8) 0.092(6) Uani 1 1 d G U . . .
H109 H 0.532435 -0.068676 0.288252 0.111 Uiso 1 1 calc R U . . .
C110 C 0.5606(9) -0.0367(8) 0.2414(8) 0.089(6) Uani 1 1 d G U . . .
H110 H 0.561175 -0.064469 0.225300 0.106 Uiso 1 1 calc R U . . .
C111 C 0.5916(8) -0.0427(9) 0.1539(8) 0.030(3) Uani 1 1 d . U . . .
C112 C 0.5494(8) -0.0608(9) 0.1454(8) 0.034(4) Uani 1 1 d . U . . .
H112 H 0.524897 -0.045263 0.154854 0.041 Uiso 1 1 calc R U . . .
C113 C 0.5474(8) -0.1019(9) 0.1228(8) 0.035(4) Uani 1 1 d . U . . .
H113 H 0.520664 -0.114212 0.115816 0.043 Uiso 1 1 calc R U . . .
C114 C 0.5832(8) -0.1263(9) 0.1098(9) 0.037(4) Uani 1 1 d . U . . .
H114 H 0.581207 -0.153128 0.092743 0.045 Uiso 1 1 calc R U . . .
C115 C 0.6205(8) -0.1101(9) 0.1222(8) 0.035(4) Uani 1 1 d . U . . .
H115 H 0.644699 -0.128936 0.116995 0.042 Uiso 1 1 calc R U . . .
C116 C 0.6251(8) -0.0707(9) 0.1408(8) 0.034(4) Uani 1 1 d . U . . .
H116 H 0.652763 -0.059891 0.145941 0.040 Uiso 1 1 calc R U . . .
C117 C 0.6970(8) 0.2228(9) 0.2660(8) 0.032(4) Uani 1 1 d . U . . .
C118 C 0.7246(8) 0.2439(9) 0.2396(8) 0.034(4) Uani 1 1 d . U . . .
H118 H 0.725368 0.234576 0.212880 0.041 Uiso 1 1 calc R U . . .
C119 C 0.7497(8) 0.2774(10) 0.2533(9) 0.038(4) Uani 1 1 d . U . . .
H119 H 0.767545 0.292791 0.234941 0.046 Uiso 1 1 calc R U . . .
C120 C 0.7527(9) 0.2925(10) 0.2915(9) 0.042(4) Uani 1 1 d . U . . .
H120 H 0.772381 0.316120 0.299520 0.050 Uiso 1 1 calc R U . . .
C121 C 0.7248(9) 0.2707(10) 0.3181(9) 0.042(4) Uani 1 1 d . U . . .
H121 H 0.725344 0.279247 0.344981 0.050 Uiso 1 1 calc R U . . .
C122 C 0.6972(8) 0.2376(9) 0.3050(9) 0.036(4) Uani 1 1 d . U . . .
H122 H 0.677482 0.224187 0.322778 0.043 Uiso 1 1 calc R U . . .
C123 C 0.6098(8) 0.1933(9) 0.2469(8) 0.033(4) Uani 1 1 d . U . . .
C124 C 0.5920(9) 0.2269(11) 0.2724(9) 0.042(4) Uani 1 1 d . U . . .
H124 H 0.609233 0.243496 0.290639 0.051 Uiso 1 1 calc R U . . .
C125 C 0.5518(9) 0.2355(11) 0.2714(9) 0.046(4) Uani 1 1 d . U . . .
H125 H 0.540993 0.257376 0.290185 0.055 Uiso 1 1 calc R U . . .
C126 C 0.5247(9) 0.2162(11) 0.2462(10) 0.047(4) Uani 1 1 d . U . . .
H126 H 0.495811 0.224270 0.246091 0.057 Uiso 1 1 calc R U . . .
C127 C 0.5427(9) 0.1817(11) 0.2190(10) 0.045(4) Uani 1 1 d . U . . .
H127 H 0.524957 0.165558 0.200925 0.053 Uiso 1 1 calc R U . . .
C128 C 0.5836(8) 0.1723(10) 0.2188(9) 0.037(4) Uani 1 1 d . U . . .
H128 H 0.595029 0.151381 0.199658 0.044 Uiso 1 1 calc R U . . .
C129 C 0.6656(8) 0.1278(9) 0.2849(7) 0.030(3) Uani 1 1 d . U . . .
C130 C 0.6425(8) 0.1274(10) 0.3201(8) 0.035(4) Uani 1 1 d . U . . .
H130 H 0.623531 0.152735 0.325808 0.042 Uiso 1 1 calc R U . . .
C131 C 0.6476(8) 0.0901(10) 0.3461(8) 0.038(4) Uani 1 1 d . U . . .
H131 H 0.635426 0.090738 0.371466 0.045 Uiso 1 1 calc R U . . .
C132 C 0.6730(8) 0.0490(10) 0.3325(8) 0.034(4) Uani 1 1 d . U . . .
H132 H 0.674505 0.020557 0.347769 0.041 Uiso 1 1 calc R U . . .
C133 C 0.6939(7) 0.0521(9) 0.2987(7) 0.030(3) Uani 1 1 d . U . . .
N5 N 0.6882(6) 0.0903(7) 0.2753(6) 0.026(3) Uani 1 1 d . U . . .
C134 C 0.7675(6) -0.0076(8) 0.3059(6) 0.054(5) Uani 1 1 d G U . . .
C135 C 0.7994(7) 0.0261(7) 0.3095(7) 0.065(5) Uani 1 1 d G U . . .
H135 H 0.798227 0.055171 0.294953 0.078 Uiso 1 1 calc R U . . .
C136 C 0.8330(6) 0.0174(8) 0.3344(7) 0.072(5) Uani 1 1 d G U . . .
H136 H 0.854842 0.040387 0.336818 0.086 Uiso 1 1 calc R U . . .
C137 C 0.8348(6) -0.0251(9) 0.3557(7) 0.066(5) Uani 1 1 d G U . . .
H137 H 0.857757 -0.031133 0.372650 0.080 Uiso 1 1 calc R U . . .
C138 C 0.8029(7) -0.0588(7) 0.3521(7) 0.064(5) Uani 1 1 d G U . . .
H138 H 0.804057 -0.087871 0.366617 0.077 Uiso 1 1 calc R U . . .
C139 C 0.7692(6) -0.0501(7) 0.3272(7) 0.059(5) Uani 1 1 d G U . . .
H139 H 0.747442 -0.073088 0.324752 0.071 Uiso 1 1 calc R U . . .
C140 C 0.6930(11) -0.0482(12) 0.2705(11) 0.056(5) Uani 1 1 d . U . . .
C141 C 0.6665(11) -0.0640(14) 0.2999(12) 0.066(5) Uani 1 1 d . U . . .
H141 H 0.662840 -0.046013 0.323256 0.079 Uiso 1 1 calc R U . . .
C142 C 0.6453(12) -0.1073(13) 0.2941(12) 0.067(5) Uani 1 1 d . U . . .
H142 H 0.626114 -0.117818 0.313638 0.081 Uiso 1 1 calc R U . . .
C143 C 0.6506(11) -0.1332(13) 0.2637(11) 0.063(5) Uani 1 1 d . U . . .
H143 H 0.636939 -0.163465 0.262025 0.075 Uiso 1 1 calc R U . . .
C144 C 0.6763(10) -0.1179(12) 0.2325(11) 0.057(5) Uani 1 1 d . U . . .
H144 H 0.678950 -0.136395 0.209255 0.069 Uiso 1 1 calc R U . . .
C145 C 0.6969(10) -0.0762(11) 0.2367(10) 0.052(5) Uani 1 1 d . U . . .
H145 H 0.714655 -0.065354 0.216216 0.063 Uiso 1 1 calc R U . . .
Cl3 Cl 0.4468(3) 0.2086(4) 0.1605(3) 0.065(2) Uani 1 1 d . . . . .
Cl4 Cl 0.9015(4) -0.1347(5) -0.0618(4) 0.052(3) Uani 0.65 1 d . . P A 1
Cl5 Cl 0.9230(6) -0.0369(7) -0.0795(6) 0.052(5) Uani 0.4 1 d . . P B 2
Cl6 Cl 0.5659(5) 0.1226(7) -0.1407(5) 0.075(4) Uani 0.6 1 d . . P C 1
O1S O 1.0343(8) 0.2759(9) 0.1301(9) 0.071(7) Uani 1 1 d . U . . .
H1S H 1.048203 0.250387 0.127762 0.107 Uiso 1 1 calc R U . . .
C1S C 0.9941(11) 0.2677(15) 0.1197(14) 0.082(9) Uani 1 1 d . U . . .
H1SA H 0.986413 0.289048 0.098046 0.123 Uiso 1 1 calc R U . . .
H1SB H 0.975742 0.273829 0.142123 0.123 Uiso 1 1 calc R U . . .
H1SC H 0.990998 0.234207 0.111327 0.123 Uiso 1 1 calc R U . . .
Cl7 Cl 0.6030(6) 0.2130(9) 0.3791(8) 0.059(6) Uani 0.35 1 d . . P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 2.8960(13) . ?
Au1 Au3 2.8549(13) . ?
Au1 Au4 2.9038(13) . ?
Au1 Au5 2.8949(13) . ?
Au1 Au6 2.8552(13) . ?
Au1 Au13 2.7323(13) . ?
Au1 Cl1 2.338(6) . ?
Au2 Au3 2.9604(13) . ?
Au2 Au6 2.9042(13) . ?
Au2 Au7 2.8944(13) . ?
Au2 Au8 3.0532(13) . ?
Au2 Au13 2.7926(13) . ?
Au2 P1 2.325(6) . ?
Au3 Au4 2.9331(13) . ?
Au3 Au8 2.8816(13) . ?
Au3 Au9 3.0904(13) . ?
Au3 Au13 2.7898(12) . ?
Au3 P3 2.302(6) . ?
Au4 Au5 2.8777(13) . ?
Au4 Au9 2.8623(13) . ?
Au4 Au10 3.1431(13) . ?
Au4 Au13 2.7954(12) . ?
Au4 P5 2.303(6) . ?
Au5 Au6 2.9196(13) . ?
Au5 Au10 2.8905(13) . ?
Au5 Au11 3.0984(13) . ?
Au5 Au13 2.7870(12) . ?
Au5 P7 2.312(6) . ?
Au6 Au7 3.1263(13) . ?
Au6 Au11 2.8700(13) . ?
Au6 Au13 2.7832(13) . ?
Au6 P9 2.309(6) . ?
Au7 Au8 2.9062(13) . ?
Au7 Au11 2.8518(13) . ?
Au7 Au12 2.8591(13) . ?
Au7 Au13 2.7865(12) . ?
Au7 P10 2.288(6) . ?
Au8 Au9 2.9273(13) . ?
Au8 Au12 2.8683(13) . ?
Au8 Au13 2.7741(12) . ?
Au8 P2 2.298(6) . ?
Au9 Au10 2.9182(13) . ?
Au9 Au12 2.8372(13) . ?
Au9 Au13 2.7648(12) . ?
Au9 P4 2.290(5) . ?
Au10 Au11 2.8637(14) . ?
Au10 Au12 2.8487(13) . ?
Au10 Au13 2.7998(13) . ?
Au10 P6 2.298(6) . ?
Au11 Au12 2.9290(13) . ?
Au11 Au13 2.7763(12) . ?
Au11 P8 2.281(6) . ?
Au12 Au13 2.7665(13) . ?
Au12 Cl2 2.326(6) . ?
P1 C1 1.854(12) . ?
P1 C7 1.82(3) . ?
P1 C13 1.85(2) . ?
P2 C17 1.83(3) . ?
P2 C18 1.83(3) . ?
P2 C24 1.85(3) . ?
P3 C30 1.85(3) . ?
P3 C36 1.78(3) . ?
P3 C42 1.85(3) . ?
P4 C46 1.86(3) . ?
P4 C47 1.82(3) . ?
P4 C53 1.795(12) . ?
P5 C59 1.81(3) . ?
P5 C65 1.841(17) . ?
P5 C71 1.83(2) . ?
P6 C75 1.83(2) . ?
P6 C76 1.83(2) . ?
P6 C82 1.85(2) . ?
P7 C88 1.829(15) . ?
P7 C94 1.81(3) . ?
P7 C100 1.87(2) . ?
P8 C104 1.86(2) . ?
P8 C105 1.826(19) . ?
P8 C111 1.82(2) . ?
P9 C117 1.84(3) . ?
P9 C123 1.82(2) . ?
P9 C129 1.81(3) . ?
P10 C133 1.87(2) . ?
P10 C134 1.821(15) . ?
P10 C140 1.82(3) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2 0.9500 . ?
C2 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C6 1.3900 . ?
C6 H6 0.9500 . ?
C7 C8 1.39(4) . ?
C7 C12 1.36(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.38(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.35(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.32(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.37(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.39(4) . ?
C13 N1 1.38(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.36(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.38(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.42(4) . ?
C17 N1 1.33(3) . ?
C18 C19 1.34(4) . ?
C18 C23 1.33(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.40(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.37(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.40(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.39(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.40(4) . ?
C24 C29 1.40(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.43(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.33(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.36(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.39(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.35(4) . ?
C30 C35 1.42(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.42(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.40(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.36(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.40(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.41(4) . ?
C36 C41 1.37(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.35(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.33(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.39(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.41(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.40(4) . ?
C42 N2 1.31(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.37(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.40(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.40(4) . ?
C46 N2 1.32(4) . ?
C47 C48 1.36(4) . ?
C47 C52 1.37(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.40(4) . ?
C49 H49 0.9500 . ?
C49 C50 1.34(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.38(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.40(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.3900 . ?
C53 C58 1.3900 . ?
C54 H54 0.9500 . ?
C54 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C57 1.3900 . ?
C57 H57 0.9500 . ?
C57 C58 1.3900 . ?
C58 H58 0.9500 . ?
C59 C60 1.33(4) . ?
C59 C64 1.44(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.36(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.43(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.38(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.30(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.3900 . ?
C65 C70 1.3900 . ?
C66 H66 0.9500 . ?
C66 C67 1.3900 . ?
C67 H67 0.9500 . ?
C67 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 C70 1.3900 . ?
C70 H70 0.9500 . ?
C71 C72 1.40(4) . ?
C71 N3 1.35(3) . ?
C72 H72 0.9500 . ?
C72 C73 1.35(4) . ?
C73 H73 0.9500 . ?
C73 C74 1.44(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.39(4) . ?
C75 N3 1.32(3) . ?
C76 C77 1.38(4) . ?
C76 C81 1.39(4) . ?
C77 H77 0.9500 . ?
C77 C78 1.36(4) . ?
C78 H78 0.9500 . ?
C78 C79 1.36(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.42(5) . ?
C80 H80 0.9500 . ?
C80 C81 1.40(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.39(4) . ?
C82 C87 1.39(3) . ?
C83 H83 0.9500 . ?
C83 C84 1.43(4) . ?
C84 H84 0.9500 . ?
C84 C85 1.38(4) . ?
C85 H85 0.9500 . ?
C85 C86 1.43(4) . ?
C86 H86 0.9500 . ?
C86 C87 1.34(4) . ?
C87 H87 0.9500 . ?
C88 C89 1.3900 . ?
C88 C93 1.3900 . ?
C89 H89 0.9500 . ?
C89 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C91 1.3900 . ?
C91 H91 0.9500 . ?
C91 C92 1.3900 . ?
C92 H92 0.9500 . ?
C92 C93 1.3900 . ?
C93 H93 0.9500 . ?
C94 C95 1.39(4) . ?
C94 C99 1.37(4) . ?
C95 H95 0.9500 . ?
C95 C96 1.37(5) . ?
C96 H96 0.9500 . ?
C96 C97 1.37(5) . ?
C97 H97 0.9500 . ?
C97 C98 1.42(5) . ?
C98 H98 0.9500 . ?
C98 C99 1.39(5) . ?
C99 H99 0.9500 . ?
C100 C101 1.37(4) . ?
C100 N4 1.35(3) . ?
C101 H101 0.9500 . ?
C101 C102 1.40(3) . ?
C102 H102 0.9500 . ?
C102 C103 1.35(4) . ?
C103 H103 0.9500 . ?
C103 C104 1.39(3) . ?
C104 N4 1.29(3) . ?
C105 C106 1.3900 . ?
C105 C110 1.3900 . ?
C106 H106 0.9500 . ?
C106 C107 1.3900 . ?
C107 H107 0.9500 . ?
C107 C108 1.3900 . ?
C108 H108 0.9500 . ?
C108 C109 1.3900 . ?
C109 H109 0.9500 . ?
C109 C110 1.3900 . ?
C110 H110 0.9500 . ?
C111 C112 1.47(4) . ?
C111 C116 1.40(4) . ?
C112 H112 0.9500 . ?
C112 C113 1.38(4) . ?
C113 H113 0.9500 . ?
C113 C114 1.40(4) . ?
C114 H114 0.9500 . ?
C114 C115 1.34(4) . ?
C115 H115 0.9500 . ?
C115 C116 1.27(4) . ?
C116 H116 0.9500 . ?
C117 C118 1.39(4) . ?
C117 C122 1.40(4) . ?
C118 H118 0.9500 . ?
C118 C119 1.32(4) . ?
C119 H119 0.9500 . ?
C119 C120 1.37(4) . ?
C120 H120 0.9500 . ?
C120 C121 1.41(4) . ?
C121 H121 0.9500 . ?
C121 C122 1.35(4) . ?
C122 H122 0.9500 . ?
C123 C124 1.40(4) . ?
C123 C128 1.40(4) . ?
C124 H124 0.9500 . ?
C124 C125 1.30(4) . ?
C125 H125 0.9500 . ?
C125 C126 1.33(4) . ?
C126 H126 0.9500 . ?
C126 C127 1.46(4) . ?
C127 H127 0.9500 . ?
C127 C128 1.33(4) . ?
C128 H128 0.9500 . ?
C129 C130 1.41(4) . ?
C129 N5 1.31(3) . ?
C130 H130 0.9500 . ?
C130 C131 1.38(4) . ?
C131 H131 0.9500 . ?
C131 C132 1.48(4) . ?
C132 H132 0.9500 . ?
C132 C133 1.33(4) . ?
C133 N5 1.35(3) . ?
C134 C135 1.3900 . ?
C134 C139 1.3900 . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 H136 0.9500 . ?
C136 C137 1.3900 . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C138 H138 0.9500 . ?
C138 C139 1.3900 . ?
C139 H139 0.9500 . ?
C140 C141 1.38(5) . ?
C140 C145 1.40(5) . ?
C141 H141 0.9500 . ?
C141 C142 1.40(5) . ?
C142 H142 0.9500 . ?
C142 C143 1.28(5) . ?
C143 H143 0.9500 . ?
C143 C144 1.41(5) . ?
C144 H144 0.9500 . ?
C144 C145 1.34(4) . ?
C145 H145 0.9500 . ?
O1S H1S 0.8400 . ?
O1S C1S 1.35(4) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au4 110.61(4) . . ?
Au3 Au1 Au2 61.96(3) . . ?
Au3 Au1 Au4 61.23(3) . . ?
Au3 Au1 Au5 109.64(4) . . ?
Au3 Au1 Au6 110.97(4) . . ?
Au5 Au1 Au2 109.77(4) . . ?
Au5 Au1 Au4 59.51(3) . . ?
Au6 Au1 Au2 60.65(3) . . ?
Au6 Au1 Au4 109.51(4) . . ?
Au6 Au1 Au5 61.02(3) . . ?
Au13 Au1 Au2 59.41(3) . . ?
Au13 Au1 Au3 59.86(3) . . ?
Au13 Au1 Au4 59.38(3) . . ?
Au13 Au1 Au5 59.29(3) . . ?
Au13 Au1 Au6 59.70(3) . . ?
Cl1 Au1 Au2 119.32(16) . . ?
Cl1 Au1 Au3 121.49(16) . . ?
Cl1 Au1 Au4 122.67(17) . . ?
Cl1 Au1 Au5 120.64(15) . . ?
Cl1 Au1 Au6 118.19(17) . . ?
Cl1 Au1 Au13 177.81(18) . . ?
Au1 Au2 Au3 58.34(3) . . ?
Au1 Au2 Au6 58.98(3) . . ?
Au1 Au2 Au8 103.84(4) . . ?
Au3 Au2 Au8 57.24(3) . . ?
Au6 Au2 Au3 106.70(4) . . ?
Au6 Au2 Au8 108.65(4) . . ?
Au7 Au2 Au1 109.80(4) . . ?
Au7 Au2 Au3 106.19(4) . . ?
Au7 Au2 Au6 65.25(3) . . ?
Au7 Au2 Au8 58.43(3) . . ?
Au13 Au2 Au1 57.38(3) . . ?
Au13 Au2 Au3 57.93(3) . . ?
Au13 Au2 Au6 58.45(3) . . ?
Au13 Au2 Au7 58.65(3) . . ?
Au13 Au2 Au8 56.45(3) . . ?
P1 Au2 Au1 125.18(15) . . ?
P1 Au2 Au3 116.25(15) . . ?
P1 Au2 Au6 129.15(15) . . ?
P1 Au2 Au7 122.19(16) . . ?
P1 Au2 Au8 116.76(15) . . ?
P1 Au2 Au13 172.39(15) . . ?
Au1 Au3 Au2 59.70(3) . . ?
Au1 Au3 Au4 60.21(3) . . ?
Au1 Au3 Au8 109.47(4) . . ?
Au1 Au3 Au9 104.29(4) . . ?
Au2 Au3 Au9 106.88(4) . . ?
Au4 Au3 Au2 108.02(4) . . ?
Au4 Au3 Au9 56.67(3) . . ?
Au8 Au3 Au2 63.00(3) . . ?
Au8 Au3 Au4 106.41(4) . . ?
Au8 Au3 Au9 58.58(3) . . ?
Au13 Au3 Au1 57.89(3) . . ?
Au13 Au3 Au2 58.02(3) . . ?
Au13 Au3 Au4 58.41(3) . . ?
Au13 Au3 Au8 58.54(3) . . ?
Au13 Au3 Au9 55.81(3) . . ?
P3 Au3 Au1 125.96(16) . . ?
P3 Au3 Au2 130.67(16) . . ?
P3 Au3 Au4 115.25(17) . . ?
P3 Au3 Au8 121.64(16) . . ?
P3 Au3 Au9 115.97(16) . . ?
P3 Au3 Au13 171.15(16) . . ?
Au1 Au4 Au3 58.56(3) . . ?
Au1 Au4 Au10 103.99(4) . . ?
Au3 Au4 Au10 107.49(4) . . ?
Au5 Au4 Au1 60.09(3) . . ?
Au5 Au4 Au3 107.95(4) . . ?
Au5 Au4 Au10 57.18(3) . . ?
Au9 Au4 Au1 109.08(4) . . ?
Au9 Au4 Au3 64.44(3) . . ?
Au9 Au4 Au5 106.50(4) . . ?
Au9 Au4 Au10 57.92(3) . . ?
Au13 Au4 Au1 57.26(3) . . ?
Au13 Au4 Au3 58.23(3) . . ?
Au13 Au4 Au5 58.83(3) . . ?
Au13 Au4 Au9 58.49(3) . . ?
Au13 Au4 Au10 55.89(3) . . ?
P5 Au4 Au1 124.29(15) . . ?
P5 Au4 Au3 134.41(15) . . ?
P5 Au4 Au5 109.81(15) . . ?
P5 Au4 Au9 125.18(15) . . ?
P5 Au4 Au10 114.03(15) . . ?
P5 Au4 Au13 167.21(15) . . ?
Au1 Au5 Au6 58.82(3) . . ?
Au1 Au5 Au11 103.49(4) . . ?
Au4 Au5 Au1 60.40(3) . . ?
Au4 Au5 Au6 108.44(4) . . ?
Au4 Au5 Au10 66.03(3) . . ?
Au4 Au5 Au11 108.30(4) . . ?
Au6 Au5 Au11 56.87(3) . . ?
Au10 Au5 Au1 110.96(4) . . ?
Au10 Au5 Au6 105.71(4) . . ?
Au10 Au5 Au11 57.00(3) . . ?
Au13 Au5 Au1 57.45(3) . . ?
Au13 Au5 Au4 59.11(3) . . ?
Au13 Au5 Au6 58.33(3) . . ?
Au13 Au5 Au10 59.06(3) . . ?
Au13 Au5 Au11 55.99(3) . . ?
P7 Au5 Au1 125.11(16) . . ?
P7 Au5 Au4 129.77(16) . . ?
P7 Au5 Au6 114.59(17) . . ?
P7 Au5 Au10 121.94(16) . . ?
P7 Au5 Au11 116.23(15) . . ?
P7 Au5 Au13 171.11(16) . . ?
Au1 Au6 Au2 60.37(3) . . ?
Au1 Au6 Au5 60.16(3) . . ?
Au1 Au6 Au7 104.66(4) . . ?
Au1 Au6 Au11 110.64(4) . . ?
Au2 Au6 Au5 108.85(4) . . ?
Au2 Au6 Au7 57.22(3) . . ?
Au5 Au6 Au7 107.00(4) . . ?
Au11 Au6 Au2 105.82(4) . . ?
Au11 Au6 Au5 64.71(3) . . ?
Au11 Au6 Au7 56.60(3) . . ?
Au13 Au6 Au1 57.96(3) . . ?
Au13 Au6 Au2 58.77(3) . . ?
Au13 Au6 Au5 58.45(3) . . ?
Au13 Au6 Au7 55.90(3) . . ?
Au13 Au6 Au11 58.80(3) . . ?
P9 Au6 Au1 125.77(16) . . ?
P9 Au6 Au2 113.36(16) . . ?
P9 Au6 Au5 131.77(15) . . ?
P9 Au6 Au7 114.83(15) . . ?
P9 Au6 Au11 121.66(16) . . ?
P9 Au6 Au13 169.70(15) . . ?
Au2 Au7 Au6 57.53(3) . . ?
Au2 Au7 Au8 63.52(3) . . ?
Au8 Au7 Au6 106.65(4) . . ?
Au11 Au7 Au2 106.56(4) . . ?
Au11 Au7 Au6 57.16(3) . . ?
Au11 Au7 Au8 109.07(4) . . ?
Au11 Au7 Au12 61.71(3) . . ?
Au12 Au7 Au2 110.37(4) . . ?
Au12 Au7 Au6 105.68(4) . . ?
Au12 Au7 Au8 59.66(3) . . ?
Au13 Au7 Au2 58.85(3) . . ?
Au13 Au7 Au6 55.80(3) . . ?
Au13 Au7 Au8 58.28(3) . . ?
Au13 Au7 Au11 58.98(3) . . ?
Au13 Au7 Au12 58.67(3) . . ?
P10 Au7 Au2 126.94(16) . . ?
P10 Au7 Au6 116.05(16) . . ?
P10 Au7 Au8 133.44(16) . . ?
P10 Au7 Au11 109.13(17) . . ?
P10 Au7 Au12 120.73(16) . . ?
P10 Au7 Au13 167.60(17) . . ?
Au3 Au8 Au2 59.76(3) . . ?
Au3 Au8 Au7 107.98(4) . . ?
Au3 Au8 Au9 64.28(3) . . ?
Au7 Au8 Au2 58.05(3) . . ?
Au7 Au8 Au9 106.70(4) . . ?
Au9 Au8 Au2 108.72(4) . . ?
Au12 Au8 Au2 105.79(4) . . ?
Au12 Au8 Au3 110.52(4) . . ?
Au12 Au8 Au7 59.35(3) . . ?
Au12 Au8 Au9 58.61(3) . . ?
Au13 Au8 Au2 57.03(3) . . ?
Au13 Au8 Au3 59.07(3) . . ?
Au13 Au8 Au7 58.70(3) . . ?
Au13 Au8 Au9 57.94(3) . . ?
Au13 Au8 Au12 58.69(3) . . ?
P2 Au8 Au2 115.52(16) . . ?
P2 Au8 Au3 122.21(15) . . ?
P2 Au8 Au7 114.73(16) . . ?
P2 Au8 Au9 130.51(16) . . ?
P2 Au8 Au12 124.03(15) . . ?
P2 Au8 Au13 171.54(16) . . ?
Au4 Au9 Au3 58.89(3) . . ?
Au4 Au9 Au8 107.08(4) . . ?
Au4 Au9 Au10 65.87(3) . . ?
Au8 Au9 Au3 57.14(3) . . ?
Au10 Au9 Au3 109.29(4) . . ?
Au10 Au9 Au8 107.46(4) . . ?
Au12 Au9 Au3 105.63(4) . . ?
Au12 Au9 Au4 111.98(4) . . ?
Au12 Au9 Au8 59.66(3) . . ?
Au12 Au9 Au10 59.32(3) . . ?
Au13 Au9 Au3 56.58(3) . . ?
Au13 Au9 Au4 59.54(3) . . ?
Au13 Au9 Au8 58.25(3) . . ?
Au13 Au9 Au10 58.96(3) . . ?
Au13 Au9 Au12 59.17(3) . . ?
P4 Au9 Au3 115.28(16) . . ?
P4 Au9 Au4 120.10(15) . . ?
P4 Au9 Au8 115.99(16) . . ?
P4 Au9 Au10 129.44(16) . . ?
P4 Au9 Au12 124.93(15) . . ?
P4 Au9 Au13 171.41(17) . . ?
Au5 Au10 Au4 56.79(3) . . ?
Au5 Au10 Au9 104.70(4) . . ?
Au9 Au10 Au4 56.21(3) . . ?
Au11 Au10 Au4 107.46(4) . . ?
Au11 Au10 Au5 65.16(3) . . ?
Au11 Au10 Au9 108.15(4) . . ?
Au12 Au10 Au4 103.99(4) . . ?
Au12 Au10 Au5 111.87(4) . . ?
Au12 Au10 Au9 58.93(3) . . ?
Au12 Au10 Au11 61.69(3) . . ?
Au13 Au10 Au4 55.76(3) . . ?
Au13 Au10 Au5 58.62(3) . . ?
Au13 Au10 Au9 57.79(3) . . ?
Au13 Au10 Au11 58.70(3) . . ?
Au13 Au10 Au12 58.64(3) . . ?
P6 Au10 Au4 116.46(16) . . ?
P6 Au10 Au5 121.34(16) . . ?
P6 Au10 Au9 116.08(16) . . ?
P6 Au10 Au11 129.60(16) . . ?
P6 Au10 Au12 124.68(16) . . ?
P6 Au10 Au13 171.58(16) . . ?
Au6 Au11 Au5 58.42(3) . . ?
Au6 Au11 Au12 110.78(4) . . ?
Au7 Au11 Au5 109.51(4) . . ?
Au7 Au11 Au6 66.24(3) . . ?
Au7 Au11 Au10 108.48(4) . . ?
Au7 Au11 Au12 59.27(3) . . ?
Au10 Au11 Au5 57.84(3) . . ?
Au10 Au11 Au6 107.76(4) . . ?
Au10 Au11 Au12 58.90(3) . . ?
Au12 Au11 Au5 104.11(4) . . ?
Au13 Au11 Au5 56.32(3) . . ?
Au13 Au11 Au6 59.04(3) . . ?
Au13 Au11 Au7 59.33(3) . . ?
Au13 Au11 Au10 59.50(3) . . ?
Au13 Au11 Au12 57.94(3) . . ?
P8 Au11 Au5 115.56(15) . . ?
P8 Au11 Au6 124.30(16) . . ?
P8 Au11 Au7 130.94(15) . . ?
P8 Au11 Au10 111.16(16) . . ?
P8 Au11 Au12 123.02(15) . . ?
P8 Au11 Au13 169.52(16) . . ?
Au7 Au12 Au8 60.98(3) . . ?
Au7 Au12 Au11 59.02(3) . . ?
Au8 Au12 Au11 107.99(4) . . ?
Au9 Au12 Au7 110.50(4) . . ?
Au9 Au12 Au8 61.73(3) . . ?
Au9 Au12 Au10 61.76(3) . . ?
Au9 Au12 Au11 108.57(4) . . ?
Au10 Au12 Au7 108.69(4) . . ?
Au10 Au12 Au8 111.04(4) . . ?
Au10 Au12 Au11 59.40(3) . . ?
Au13 Au12 Au7 59.36(3) . . ?
Au13 Au12 Au8 58.95(3) . . ?
Au13 Au12 Au9 59.11(3) . . ?
Au13 Au12 Au10 59.80(3) . . ?
Au13 Au12 Au11 58.26(3) . . ?
Cl2 Au12 Au7 124.83(16) . . ?
Cl2 Au12 Au8 120.60(14) . . ?
Cl2 Au12 Au9 116.45(16) . . ?
Cl2 Au12 Au10 117.93(15) . . ?
Cl2 Au12 Au11 124.68(14) . . ?
Cl2 Au12 Au13 175.47(16) . . ?
Au1 Au13 Au2 63.21(3) . . ?
Au1 Au13 Au3 62.25(3) . . ?
Au1 Au13 Au4 63.37(3) . . ?
Au1 Au13 Au5 63.26(3) . . ?
Au1 Au13 Au6 62.34(3) . . ?
Au1 Au13 Au7 118.27(4) . . ?
Au1 Au13 Au8 116.56(4) . . ?
Au1 Au13 Au9 117.38(4) . . ?
Au1 Au13 Au10 119.00(4) . . ?
Au1 Au13 Au11 117.44(4) . . ?
Au1 Au13 Au12 178.75(5) . . ?
Au2 Au13 Au4 117.16(4) . . ?
Au2 Au13 Au10 173.40(4) . . ?
Au3 Au13 Au2 64.05(3) . . ?
Au3 Au13 Au4 63.36(3) . . ?
Au3 Au13 Au10 122.54(4) . . ?
Au4 Au13 Au10 68.35(3) . . ?
Au5 Au13 Au2 116.20(4) . . ?
Au5 Au13 Au3 114.86(4) . . ?
Au5 Au13 Au4 62.06(3) . . ?
Au5 Au13 Au10 62.31(3) . . ?
Au6 Au13 Au2 62.78(3) . . ?
Au6 Au13 Au3 115.19(4) . . ?
Au6 Au13 Au4 114.94(4) . . ?
Au6 Au13 Au5 63.22(3) . . ?
Au6 Au13 Au7 68.29(3) . . ?
Au6 Au13 Au10 112.11(4) . . ?
Au7 Au13 Au2 62.50(3) . . ?
Au7 Au13 Au3 114.20(4) . . ?
Au7 Au13 Au4 176.43(4) . . ?
Au7 Au13 Au5 121.44(4) . . ?
Au7 Au13 Au10 112.24(4) . . ?
Au8 Au13 Au2 66.52(3) . . ?
Au8 Au13 Au3 62.38(3) . . ?
Au8 Au13 Au4 113.46(4) . . ?
Au8 Au13 Au5 175.34(4) . . ?
Au8 Au13 Au6 121.14(4) . . ?
Au8 Au13 Au7 63.02(3) . . ?
Au8 Au13 Au10 115.45(4) . . ?
Au8 Au13 Au11 115.34(4) . . ?
Au9 Au13 Au2 122.01(4) . . ?
Au9 Au13 Au3 67.61(3) . . ?
Au9 Au13 Au4 61.96(3) . . ?
Au9 Au13 Au5 111.87(4) . . ?
Au9 Au13 Au6 174.91(4) . . ?
Au9 Au13 Au7 114.93(4) . . ?
Au9 Au13 Au8 63.81(3) . . ?
Au9 Au13 Au10 63.25(3) . . ?
Au9 Au13 Au11 115.34(4) . . ?
Au9 Au13 Au12 61.72(3) . . ?
Au11 Au13 Au2 111.60(4) . . ?
Au11 Au13 Au3 175.50(4) . . ?
Au11 Au13 Au4 120.84(4) . . ?
Au11 Au13 Au5 67.69(3) . . ?
Au11 Au13 Au6 62.16(3) . . ?
Au11 Au13 Au7 61.68(3) . . ?
Au11 Au13 Au10 61.80(3) . . ?
Au12 Au13 Au2 116.36(4) . . ?
Au12 Au13 Au3 116.50(4) . . ?
Au12 Au13 Au4 116.31(4) . . ?
Au12 Au13 Au5 117.77(4) . . ?
Au12 Au13 Au6 118.64(4) . . ?
Au12 Au13 Au7 61.98(3) . . ?
Au12 Au13 Au8 62.35(3) . . ?
Au12 Au13 Au10 61.56(3) . . ?
Au12 Au13 Au11 63.80(3) . . ?
C1 P1 Au2 112.7(6) . . ?
C7 P1 Au2 120.0(9) . . ?
C7 P1 C1 109.7(10) . . ?
C7 P1 C13 104.3(11) . . ?
C13 P1 Au2 104.5(8) . . ?
C13 P1 C1 104.0(9) . . ?
C17 P2 Au8 104.1(8) . . ?
C17 P2 C18 105.7(12) . . ?
C17 P2 C24 106.6(12) . . ?
C18 P2 Au8 122.1(9) . . ?
C18 P2 C24 105.8(12) . . ?
C24 P2 Au8 111.4(8) . . ?
C30 P3 Au3 115.4(9) . . ?
C36 P3 Au3 120.2(10) . . ?
C36 P3 C30 104.8(13) . . ?
C36 P3 C42 106.4(14) . . ?
C42 P3 Au3 102.5(9) . . ?
C42 P3 C30 106.5(13) . . ?
C46 P4 Au9 102.6(8) . . ?
C47 P4 Au9 119.6(9) . . ?
C47 P4 C46 102.7(13) . . ?
C53 P4 Au9 114.2(6) . . ?
C53 P4 C46 108.4(11) . . ?
C53 P4 C47 108.0(10) . . ?
C59 P5 Au4 113.3(10) . . ?
C59 P5 C65 103.9(13) . . ?
C59 P5 C71 107.3(11) . . ?
C65 P5 Au4 120.5(9) . . ?
C71 P5 Au4 104.6(7) . . ?
C71 P5 C65 106.5(11) . . ?
C75 P6 Au10 102.4(7) . . ?
C75 P6 C76 103.3(11) . . ?
C75 P6 C82 107.3(11) . . ?
C76 P6 Au10 124.3(9) . . ?
C76 P6 C82 103.7(11) . . ?
C82 P6 Au10 114.4(7) . . ?
C88 P7 Au5 111.2(6) . . ?
C88 P7 C100 103.9(11) . . ?
C94 P7 Au5 124.4(8) . . ?
C94 P7 C88 105.0(10) . . ?
C94 P7 C100 106.8(12) . . ?
C100 P7 Au5 103.6(9) . . ?
C104 P8 Au11 103.4(7) . . ?
C105 P8 Au11 124.5(10) . . ?
C105 P8 C104 103.0(12) . . ?
C111 P8 Au11 111.0(9) . . ?
C111 P8 C104 107.9(11) . . ?
C111 P8 C105 105.8(12) . . ?
C117 P9 Au6 112.6(8) . . ?
C123 P9 Au6 121.5(9) . . ?
C123 P9 C117 108.6(12) . . ?
C129 P9 Au6 103.4(8) . . ?
C129 P9 C117 105.3(12) . . ?
C129 P9 C123 103.7(12) . . ?
C133 P10 Au7 105.0(8) . . ?
C134 P10 Au7 119.7(8) . . ?
C134 P10 C133 103.1(12) . . ?
C140 P10 Au7 115.5(12) . . ?
C140 P10 C133 106.6(14) . . ?
C140 P10 C134 105.6(13) . . ?
C2 C1 P1 116.1(9) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 P1 123.6(9) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C8 C7 P1 122(2) . . ?
C12 C7 P1 119(2) . . ?
C12 C7 C8 118(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 121(3) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 121.1 . . ?
C10 C9 C8 118(3) . . ?
C10 C9 H9 121.1 . . ?
C9 C10 H10 119.0 . . ?
C11 C10 C9 122(3) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 122(3) . . ?
C12 C11 H11 119.2 . . ?
C7 C12 C11 119(3) . . ?
C7 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C14 C13 P1 131(2) . . ?
N1 C13 P1 107.4(16) . . ?
N1 C13 C14 122(2) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 C13 118(3) . . ?
C15 C14 H14 121.0 . . ?
C14 C15 H15 119.3 . . ?
C14 C15 C16 121(3) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 H16 121.1 . . ?
C15 C16 C17 118(2) . . ?
C17 C16 H16 121.1 . . ?
C16 C17 P2 128(2) . . ?
N1 C17 P2 109.5(17) . . ?
N1 C17 C16 122(2) . . ?
C17 N1 C13 118.6(19) . . ?
C19 C18 P2 116(2) . . ?
C23 C18 P2 126(2) . . ?
C23 C18 C19 119(3) . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121(3) . . ?
C20 C19 H19 119.3 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 120(3) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 120.7 . . ?
C20 C21 C22 119(3) . . ?
C22 C21 H21 120.7 . . ?
C21 C22 H22 120.9 . . ?
C23 C22 C21 118(3) . . ?
C23 C22 H22 120.9 . . ?
C18 C23 C22 123(3) . . ?
C18 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
C25 C24 P2 122(2) . . ?
C25 C24 C29 122(2) . . ?
C29 C24 P2 116(2) . . ?
C24 C25 H25 120.7 . . ?
C24 C25 C26 119(3) . . ?
C26 C25 H25 120.7 . . ?
C25 C26 H26 121.0 . . ?
C27 C26 C25 118(3) . . ?
C27 C26 H26 121.0 . . ?
C26 C27 H27 118.5 . . ?
C26 C27 C28 123(3) . . ?
C28 C27 H27 118.5 . . ?
C27 C28 H28 118.8 . . ?
C27 C28 C29 122(3) . . ?
C29 C28 H28 118.8 . . ?
C24 C29 H29 122.2 . . ?
C28 C29 C24 116(2) . . ?
C28 C29 H29 122.2 . . ?
C31 C30 P3 116(2) . . ?
C31 C30 C35 122(3) . . ?
C35 C30 P3 122(2) . . ?
C30 C31 H31 119.5 . . ?
C30 C31 C32 121(3) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 121.5 . . ?
C33 C32 C31 117(3) . . ?
C33 C32 H32 121.5 . . ?
C32 C33 H33 118.8 . . ?
C34 C33 C32 122(3) . . ?
C34 C33 H33 118.8 . . ?
C33 C34 H34 119.6 . . ?
C33 C34 C35 121(3) . . ?
C35 C34 H34 119.6 . . ?
C30 C35 H35 121.4 . . ?
C34 C35 C30 117(2) . . ?
C34 C35 H35 121.4 . . ?
C37 C36 P3 125(2) . . ?
C41 C36 P3 118(2) . . ?
C41 C36 C37 116(3) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 120(3) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 117.8 . . ?
C39 C38 C37 124(3) . . ?
C39 C38 H38 117.8 . . ?
C38 C39 H39 120.6 . . ?
C38 C39 C40 119(3) . . ?
C40 C39 H39 120.6 . . ?
C39 C40 H40 121.4 . . ?
C39 C40 C41 117(3) . . ?
C41 C40 H40 121.4 . . ?
C36 C41 C40 123(3) . . ?
C36 C41 H41 118.3 . . ?
C40 C41 H41 118.3 . . ?
C43 C42 P3 127(2) . . ?
N2 C42 P3 108.5(19) . . ?
N2 C42 C43 124(3) . . ?
C42 C43 H43 121.7 . . ?
C44 C43 C42 117(3) . . ?
C44 C43 H43 121.7 . . ?
C43 C44 H44 118.9 . . ?
C43 C44 C45 122(3) . . ?
C45 C44 H44 118.9 . . ?
C44 C45 H45 122.9 . . ?
C44 C45 C46 114(3) . . ?
C46 C45 H45 122.9 . . ?
C45 C46 P4 125(2) . . ?
N2 C46 P4 109.7(18) . . ?
N2 C46 C45 125(3) . . ?
C42 N2 C46 117(2) . . ?
C48 C47 P4 117(2) . . ?
C48 C47 C52 120(3) . . ?
C52 C47 P4 124(2) . . ?
C47 C48 H48 120.9 . . ?
C47 C48 C49 118(3) . . ?
C49 C48 H48 120.9 . . ?
C48 C49 H49 117.8 . . ?
C50 C49 C48 124(3) . . ?
C50 C49 H49 117.8 . . ?
C49 C50 H50 121.9 . . ?
C49 C50 C51 116(3) . . ?
C51 C50 H50 121.9 . . ?
C50 C51 H51 119.4 . . ?
C50 C51 C52 121(3) . . ?
C52 C51 H51 119.4 . . ?
C47 C52 C51 120(3) . . ?
C47 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C54 C53 P4 122.3(8) . . ?
C54 C53 C58 120.0 . . ?
C58 C53 P4 117.7(8) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C53 C58 H58 120.0 . . ?
C57 C58 C53 120.0 . . ?
C57 C58 H58 120.0 . . ?
C60 C59 P5 120(2) . . ?
C60 C59 C64 117(3) . . ?
C64 C59 P5 123(2) . . ?
C59 C60 H60 118.6 . . ?
C59 C60 C61 123(3) . . ?
C61 C60 H60 118.6 . . ?
C60 C61 H61 120.5 . . ?
C60 C61 C62 119(3) . . ?
C62 C61 H61 120.5 . . ?
C61 C62 H62 121.2 . . ?
C63 C62 C61 118(3) . . ?
C63 C62 H62 121.2 . . ?
C62 C63 H63 119.0 . . ?
C64 C63 C62 122(3) . . ?
C64 C63 H63 119.0 . . ?
C59 C64 H64 119.4 . . ?
C63 C64 C59 121(3) . . ?
C63 C64 H64 119.4 . . ?
C66 C65 P5 124.1(13) . . ?
C66 C65 C70 120.0 . . ?
C70 C65 P5 115.8(13) . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 120.0 . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C65 C70 H70 120.0 . . ?
C69 C70 C65 120.0 . . ?
C69 C70 H70 120.0 . . ?
C72 C71 P5 130.1(18) . . ?
N3 C71 P5 111.8(16) . . ?
N3 C71 C72 118(2) . . ?
C71 C72 H72 119.4 . . ?
C73 C72 C71 121(3) . . ?
C73 C72 H72 119.4 . . ?
C72 C73 H73 120.0 . . ?
C72 C73 C74 120(3) . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 122.2 . . ?
C75 C74 C73 116(2) . . ?
C75 C74 H74 122.2 . . ?
C74 C75 P6 127.2(19) . . ?
N3 C75 P6 110.3(16) . . ?
N3 C75 C74 123(2) . . ?
C75 N3 C71 122.3(19) . . ?
C77 C76 P6 117(2) . . ?
C77 C76 C81 119(2) . . ?
C81 C76 P6 124(2) . . ?
C76 C77 H77 119.0 . . ?
C78 C77 C76 122(3) . . ?
C78 C77 H77 119.0 . . ?
C77 C78 H78 119.6 . . ?
C79 C78 C77 121(3) . . ?
C79 C78 H78 119.6 . . ?
C78 C79 H79 120.4 . . ?
C78 C79 C80 119(3) . . ?
C80 C79 H79 120.4 . . ?
C79 C80 H80 120.3 . . ?
C81 C80 C79 119(3) . . ?
C81 C80 H80 120.3 . . ?
C76 C81 C80 120(3) . . ?
C76 C81 H81 120.2 . . ?
C80 C81 H81 120.2 . . ?
C83 C82 P6 121.4(19) . . ?
C83 C82 C87 122(2) . . ?
C87 C82 P6 116.5(18) . . ?
C82 C83 H83 120.5 . . ?
C82 C83 C84 119(3) . . ?
C84 C83 H83 120.5 . . ?
C83 C84 H84 121.0 . . ?
C85 C84 C83 118(3) . . ?
C85 C84 H84 121.0 . . ?
C84 C85 H85 120.0 . . ?
C84 C85 C86 120(3) . . ?
C86 C85 H85 120.0 . . ?
C85 C86 H86 119.2 . . ?
C87 C86 C85 122(3) . . ?
C87 C86 H86 119.2 . . ?
C82 C87 H87 120.5 . . ?
C86 C87 C82 119(3) . . ?
C86 C87 H87 120.5 . . ?
C89 C88 P7 116.5(10) . . ?
C89 C88 C93 120.0 . . ?
C93 C88 P7 123.2(10) . . ?
C88 C89 H89 120.0 . . ?
C88 C89 C90 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C91 C90 C89 120.0 . . ?
C91 C90 H90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C92 C91 H91 120.0 . . ?
C91 C92 H92 120.0 . . ?
C91 C92 C93 120.0 . . ?
C93 C92 H92 120.0 . . ?
C88 C93 H93 120.0 . . ?
C92 C93 C88 120.0 . . ?
C92 C93 H93 120.0 . . ?
C95 C94 P7 120(2) . . ?
C99 C94 P7 123(2) . . ?
C99 C94 C95 117(3) . . ?
C94 C95 H95 119.7 . . ?
C96 C95 C94 121(3) . . ?
C96 C95 H95 119.7 . . ?
C95 C96 H96 119.7 . . ?
C97 C96 C95 121(4) . . ?
C97 C96 H96 119.7 . . ?
C96 C97 H97 119.4 . . ?
C96 C97 C98 121(4) . . ?
C98 C97 H97 119.4 . . ?
C97 C98 H98 122.3 . . ?
C99 C98 C97 115(3) . . ?
C99 C98 H98 122.3 . . ?
C94 C99 C98 125(3) . . ?
C94 C99 H99 117.7 . . ?
C98 C99 H99 117.7 . . ?
C101 C100 P7 126(2) . . ?
N4 C100 P7 108.5(17) . . ?
N4 C100 C101 125(2) . . ?
C100 C101 H101 123.9 . . ?
C100 C101 C102 112(2) . . ?
C102 C101 H101 123.9 . . ?
C101 C102 H102 117.7 . . ?
C103 C102 C101 125(2) . . ?
C103 C102 H102 117.7 . . ?
C102 C103 H103 122.0 . . ?
C102 C103 C104 116(2) . . ?
C104 C103 H103 122.0 . . ?
C103 C104 P8 127.0(19) . . ?
N4 C104 P8 109.9(17) . . ?
N4 C104 C103 123(2) . . ?
C104 N4 C100 118(2) . . ?
C106 C105 P8 116.1(16) . . ?
C106 C105 C110 120.0 . . ?
C110 C105 P8 123.9(16) . . ?
C105 C106 H106 120.0 . . ?
C107 C106 C105 120.0 . . ?
C107 C106 H106 120.0 . . ?
C106 C107 H107 120.0 . . ?
C106 C107 C108 120.0 . . ?
C108 C107 H107 120.0 . . ?
C107 C108 H108 120.0 . . ?
C109 C108 C107 120.0 . . ?
C109 C108 H108 120.0 . . ?
C108 C109 H109 120.0 . . ?
C110 C109 C108 120.0 . . ?
C110 C109 H109 120.0 . . ?
C105 C110 H110 120.0 . . ?
C109 C110 C105 120.0 . . ?
C109 C110 H110 120.0 . . ?
C112 C111 P8 121.3(19) . . ?
C116 C111 P8 122.3(19) . . ?
C116 C111 C112 116(2) . . ?
C111 C112 H112 122.0 . . ?
C113 C112 C111 116(2) . . ?
C113 C112 H112 122.0 . . ?
C112 C113 H113 118.6 . . ?
C112 C113 C114 123(2) . . ?
C114 C113 H113 118.6 . . ?
C113 C114 H114 121.3 . . ?
C115 C114 C113 117(3) . . ?
C115 C114 H114 121.3 . . ?
C114 C115 H115 118.4 . . ?
C116 C115 C114 123(3) . . ?
C116 C115 H115 118.4 . . ?
C111 C116 H116 118.2 . . ?
C115 C116 C111 124(3) . . ?
C115 C116 H116 118.2 . . ?
C118 C117 P9 117(2) . . ?
C118 C117 C122 119(2) . . ?
C122 C117 P9 124(2) . . ?
C117 C118 H118 121.5 . . ?
C119 C118 C117 117(3) . . ?
C119 C118 H118 121.5 . . ?
C118 C119 H119 116.6 . . ?
C118 C119 C120 127(3) . . ?
C120 C119 H119 116.6 . . ?
C119 C120 H120 122.1 . . ?
C119 C120 C121 116(3) . . ?
C121 C120 H120 122.1 . . ?
C120 C121 H121 120.2 . . ?
C122 C121 C120 120(3) . . ?
C122 C121 H121 120.2 . . ?
C117 C122 H122 119.3 . . ?
C121 C122 C117 121(3) . . ?
C121 C122 H122 119.3 . . ?
C124 C123 P9 126(2) . . ?
C124 C123 C128 118(2) . . ?
C128 C123 P9 117(2) . . ?
C123 C124 H124 119.8 . . ?
C125 C124 C123 120(3) . . ?
C125 C124 H124 119.8 . . ?
C124 C125 H125 117.3 . . ?
C124 C125 C126 125(3) . . ?
C126 C125 H125 117.3 . . ?
C125 C126 H126 122.5 . . ?
C125 C126 C127 115(3) . . ?
C127 C126 H126 122.5 . . ?
C126 C127 H127 119.4 . . ?
C128 C127 C126 121(3) . . ?
C128 C127 H127 119.4 . . ?
C123 C128 H128 119.9 . . ?
C127 C128 C123 120(3) . . ?
C127 C128 H128 119.9 . . ?
C130 C129 P9 126.8(19) . . ?
N5 C129 P9 113.2(17) . . ?
N5 C129 C130 120(2) . . ?
C129 C130 H130 120.2 . . ?
C131 C130 C129 120(2) . . ?
C131 C130 H130 120.2 . . ?
C130 C131 H131 121.7 . . ?
C130 C131 C132 117(2) . . ?
C132 C131 H131 121.7 . . ?
C131 C132 H132 120.1 . . ?
C133 C132 C131 120(2) . . ?
C133 C132 H132 120.1 . . ?
C132 C133 P10 130(2) . . ?
C132 C133 N5 120(2) . . ?
N5 C133 P10 109.2(17) . . ?
C129 N5 C133 124(2) . . ?
C135 C134 P10 117.6(12) . . ?
C135 C134 C139 120.0 . . ?
C139 C134 P10 122.4(12) . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C137 C136 C135 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C136 C137 C138 120.0 . . ?
C138 C137 H137 120.0 . . ?
C137 C138 H138 120.0 . . ?
C139 C138 C137 120.0 . . ?
C139 C138 H138 120.0 . . ?
C134 C139 H139 120.0 . . ?
C138 C139 C134 120.0 . . ?
C138 C139 H139 120.0 . . ?
C141 C140 P10 126(3) . . ?
C141 C140 C145 118(3) . . ?
C145 C140 P10 116(3) . . ?
C140 C141 H141 121.0 . . ?
C140 C141 C142 118(4) . . ?
C142 C141 H141 121.0 . . ?
C141 C142 H142 118.7 . . ?
C143 C142 C141 123(4) . . ?
C143 C142 H142 118.7 . . ?
C142 C143 H143 119.3 . . ?
C142 C143 C144 121(4) . . ?
C144 C143 H143 119.3 . . ?
C143 C144 H144 121.1 . . ?
C145 C144 C143 118(4) . . ?
C145 C144 H144 121.1 . . ?
C140 C145 H145 119.1 . . ?
C144 C145 C140 122(3) . . ?
C144 C145 H145 119.1 . . ?
C1S O1S H1S 109.5 . . ?
O1S C1S H1SA 109.5 . . ?
O1S C1S H1SB 109.5 . . ?
O1S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 P1 C1 C2 20.2(10) . . . . ?
Au2 P1 C1 C6 -154.2(8) . . . . ?
Au2 P1 C7 C8 -162(2) . . . . ?
Au2 P1 C7 C12 15(3) . . . . ?
Au2 P1 C13 C14 179(3) . . . . ?
Au2 P1 C13 N1 0.6(17) . . . . ?
Au3 P3 C30 C31 -3(3) . . . . ?
Au3 P3 C30 C35 -176.6(19) . . . . ?
Au3 P3 C36 C37 141(2) . . . . ?
Au3 P3 C36 C41 -42(3) . . . . ?
Au3 P3 C42 C43 160(3) . . . . ?
Au3 P3 C42 N2 -23(2) . . . . ?
Au4 P5 C59 C60 6(3) . . . . ?
Au4 P5 C59 C64 -177(2) . . . . ?
Au4 P5 C65 C66 123.8(14) . . . . ?
Au4 P5 C65 C70 -60.1(15) . . . . ?
Au4 P5 C71 C72 165(2) . . . . ?
Au4 P5 C71 N3 -13.2(17) . . . . ?
Au5 P7 C88 C89 15.5(12) . . . . ?
Au5 P7 C88 C93 -158.8(10) . . . . ?
Au5 P7 C94 C95 -92(2) . . . . ?
Au5 P7 C94 C99 83(3) . . . . ?
Au5 P7 C100 C101 -170(2) . . . . ?
Au5 P7 C100 N4 5.2(19) . . . . ?
Au6 P9 C117 C118 24(2) . . . . ?
Au6 P9 C117 C122 -152(2) . . . . ?
Au6 P9 C123 C124 -162(2) . . . . ?
Au6 P9 C123 C128 19(3) . . . . ?
Au6 P9 C129 C130 -163(2) . . . . ?
Au6 P9 C129 N5 11(2) . . . . ?
Au7 P10 C133 C132 171(2) . . . . ?
Au7 P10 C133 N5 2(2) . . . . ?
Au7 P10 C134 C135 41.2(16) . . . . ?
Au7 P10 C134 C139 -137.5(12) . . . . ?
Au7 P10 C140 C141 -152(3) . . . . ?
Au7 P10 C140 C145 29(3) . . . . ?
Au8 P2 C17 C16 -173(2) . . . . ?
Au8 P2 C17 N1 9.8(18) . . . . ?
Au8 P2 C18 C19 40(3) . . . . ?
Au8 P2 C18 C23 -139(2) . . . . ?
Au8 P2 C24 C25 -149(2) . . . . ?
Au8 P2 C24 C29 37(2) . . . . ?
Au9 P4 C46 C45 -154(3) . . . . ?
Au9 P4 C46 N2 23(2) . . . . ?
Au9 P4 C47 C48 28(3) . . . . ?
Au9 P4 C47 C52 -149(2) . . . . ?
Au9 P4 C53 C54 -147.7(8) . . . . ?
Au9 P4 C53 C58 29.8(11) . . . . ?
Au10 P6 C75 C74 -162(2) . . . . ?
Au10 P6 C75 N3 20.1(16) . . . . ?
Au10 P6 C76 C77 41(3) . . . . ?
Au10 P6 C76 C81 -142(2) . . . . ?
Au10 P6 C82 C83 -152.2(19) . . . . ?
Au10 P6 C82 C87 24(2) . . . . ?
Au11 P8 C104 C103 -178(2) . . . . ?
Au11 P8 C104 N4 4.6(18) . . . . ?
Au11 P8 C105 C106 55.0(18) . . . . ?
Au11 P8 C105 C110 -125.6(15) . . . . ?
Au11 P8 C111 C112 -158.7(19) . . . . ?
Au11 P8 C111 C116 19(3) . . . . ?
P1 C1 C2 C3 -174.6(11) . . . . ?
P1 C1 C6 C5 174.2(12) . . . . ?
P1 C7 C8 C9 -177(2) . . . . ?
P1 C7 C12 C11 173(2) . . . . ?
P1 C13 C14 C15 -176(2) . . . . ?
P1 C13 N1 C17 174.5(17) . . . . ?
P2 C17 N1 C13 179.0(16) . . . . ?
P2 C18 C19 C20 -178(3) . . . . ?
P2 C18 C23 C22 -180(3) . . . . ?
P2 C24 C25 C26 180(2) . . . . ?
P2 C24 C29 C28 177.2(19) . . . . ?
P3 C30 C31 C32 -172(2) . . . . ?
P3 C30 C35 C34 173(2) . . . . ?
P3 C36 C37 C38 175(2) . . . . ?
P3 C36 C41 C40 -177(2) . . . . ?
P3 C42 C43 C44 -177(3) . . . . ?
P3 C42 N2 C46 174(2) . . . . ?
P4 C46 N2 C42 -170(2) . . . . ?
P4 C47 C48 C49 -178(2) . . . . ?
P4 C47 C52 C51 -179(2) . . . . ?
P4 C53 C54 C55 177.4(13) . . . . ?
P4 C53 C58 C57 -177.5(12) . . . . ?
P5 C59 C60 C61 180(2) . . . . ?
P5 C59 C64 C63 179(2) . . . . ?
P5 C65 C66 C67 176(2) . . . . ?
P5 C65 C70 C69 -176.3(19) . . . . ?
P5 C71 C72 C73 -178(2) . . . . ?
P5 C71 N3 C75 174.9(16) . . . . ?
P6 C75 N3 C71 -174.7(17) . . . . ?
P6 C76 C77 C78 175(3) . . . . ?
P6 C76 C81 C80 -177(3) . . . . ?
P6 C82 C83 C84 -179.5(19) . . . . ?
P6 C82 C87 C86 -179.0(19) . . . . ?
P7 C88 C89 C90 -174.5(14) . . . . ?
P7 C88 C93 C92 174.1(15) . . . . ?
P7 C94 C95 C96 175(3) . . . . ?
P7 C94 C99 C98 -173(3) . . . . ?
P7 C100 C101 C102 -176(2) . . . . ?
P7 C100 N4 C104 177.8(18) . . . . ?
P8 C104 N4 C100 179.1(18) . . . . ?
P8 C105 C106 C107 179(2) . . . . ?
P8 C105 C110 C109 -179(2) . . . . ?
P8 C111 C112 C113 174(2) . . . . ?
P8 C111 C116 C115 -178(2) . . . . ?
P9 C117 C118 C119 -176(2) . . . . ?
P9 C117 C122 C121 173(2) . . . . ?
P9 C123 C124 C125 -175(2) . . . . ?
P9 C123 C128 C127 174(2) . . . . ?
P9 C129 C130 C131 -179(2) . . . . ?
P9 C129 N5 C133 180(2) . . . . ?
P10 C133 N5 C129 176(2) . . . . ?
P10 C134 C135 C136 -178.7(19) . . . . ?
P10 C134 C139 C138 179(2) . . . . ?
P10 C140 C141 C142 -178(3) . . . . ?
P10 C140 C145 C144 177(3) . . . . ?
C1 P1 C7 C8 -29(3) . . . . ?
C1 P1 C7 C12 147(2) . . . . ?
C1 P1 C13 C14 60(3) . . . . ?
C1 P1 C13 N1 -117.8(15) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C7 P1 C1 C2 -116.2(12) . . . . ?
C7 P1 C1 C6 69.4(13) . . . . ?
C7 P1 C13 C14 -55(3) . . . . ?
C7 P1 C13 N1 127.3(17) . . . . ?
C7 C8 C9 C10 -2(5) . . . . ?
C8 C7 C12 C11 -10(4) . . . . ?
C8 C9 C10 C11 2(5) . . . . ?
C9 C10 C11 C12 -6(5) . . . . ?
C10 C11 C12 C7 10(5) . . . . ?
C12 C7 C8 C9 6(4) . . . . ?
C13 P1 C1 C2 132.8(11) . . . . ?
C13 P1 C1 C6 -41.6(13) . . . . ?
C13 P1 C7 C8 82(2) . . . . ?
C13 P1 C7 C12 -102(2) . . . . ?
C13 C14 C15 C16 2(5) . . . . ?
C14 C13 N1 C17 -4(4) . . . . ?
C14 C15 C16 C17 -4(4) . . . . ?
C15 C16 C17 P2 -175(2) . . . . ?
C15 C16 C17 N1 2(4) . . . . ?
C16 C17 N1 C13 2(3) . . . . ?
C17 P2 C18 C19 -78(3) . . . . ?
C17 P2 C18 C23 103(3) . . . . ?
C17 P2 C24 C25 -36(3) . . . . ?
C17 P2 C24 C29 150(2) . . . . ?
N1 C13 C14 C15 2(4) . . . . ?
C18 P2 C17 C16 -44(3) . . . . ?
C18 P2 C17 N1 139.5(17) . . . . ?
C18 P2 C24 C25 77(3) . . . . ?
C18 P2 C24 C29 -98(2) . . . . ?
C18 C19 C20 C21 -3(5) . . . . ?
C19 C18 C23 C22 1(5) . . . . ?
C19 C20 C21 C22 2(5) . . . . ?
C20 C21 C22 C23 0(5) . . . . ?
C21 C22 C23 C18 -2(5) . . . . ?
C23 C18 C19 C20 2(5) . . . . ?
C24 P2 C17 C16 69(3) . . . . ?
C24 P2 C17 N1 -108.2(18) . . . . ?
C24 P2 C18 C19 169(2) . . . . ?
C24 P2 C18 C23 -10(3) . . . . ?
C24 C25 C26 C27 6(4) . . . . ?
C25 C24 C29 C28 3(4) . . . . ?
C25 C26 C27 C28 -4(5) . . . . ?
C26 C27 C28 C29 1(5) . . . . ?
C27 C28 C29 C24 0(4) . . . . ?
C29 C24 C25 C26 -6(4) . . . . ?
C30 P3 C36 C37 -87(3) . . . . ?
C30 P3 C36 C41 90(3) . . . . ?
C30 P3 C42 C43 38(3) . . . . ?
C30 P3 C42 N2 -145(2) . . . . ?
C30 C31 C32 C33 -3(4) . . . . ?
C31 C30 C35 C34 -1(4) . . . . ?
C31 C32 C33 C34 3(5) . . . . ?
C32 C33 C34 C35 -2(5) . . . . ?
C33 C34 C35 C30 1(4) . . . . ?
C35 C30 C31 C32 2(4) . . . . ?
C36 P3 C30 C31 -137(2) . . . . ?
C36 P3 C30 C35 49(3) . . . . ?
C36 P3 C42 C43 -73(3) . . . . ?
C36 P3 C42 N2 104(2) . . . . ?
C36 C37 C38 C39 2(5) . . . . ?
C37 C36 C41 C40 0(5) . . . . ?
C37 C38 C39 C40 -1(5) . . . . ?
C38 C39 C40 C41 -1(5) . . . . ?
C39 C40 C41 C36 1(5) . . . . ?
C41 C36 C37 C38 -2(5) . . . . ?
C42 P3 C30 C31 110(2) . . . . ?
C42 P3 C30 C35 -64(3) . . . . ?
C42 P3 C36 C37 25(3) . . . . ?
C42 P3 C36 C41 -157(2) . . . . ?
C42 C43 C44 C45 -2(5) . . . . ?
C43 C42 N2 C46 -9(5) . . . . ?
C43 C44 C45 C46 0(5) . . . . ?
C44 C45 C46 P4 174(2) . . . . ?
C44 C45 C46 N2 -2(5) . . . . ?
C45 C46 N2 C42 7(5) . . . . ?
C46 P4 C47 C48 -85(2) . . . . ?
C46 P4 C47 C52 98(2) . . . . ?
C46 P4 C53 C54 -34.0(14) . . . . ?
C46 P4 C53 C58 143.5(12) . . . . ?
N2 C42 C43 C44 6(5) . . . . ?
C47 P4 C46 C45 -29(3) . . . . ?
C47 P4 C46 N2 148(2) . . . . ?
C47 P4 C53 C54 76.6(13) . . . . ?
C47 P4 C53 C58 -106.0(13) . . . . ?
C47 C48 C49 C50 -2(5) . . . . ?
C48 C47 C52 C51 4(4) . . . . ?
C48 C49 C50 C51 2(5) . . . . ?
C49 C50 C51 C52 0(5) . . . . ?
C50 C51 C52 C47 -3(4) . . . . ?
C52 C47 C48 C49 -1(4) . . . . ?
C53 P4 C46 C45 85(3) . . . . ?
C53 P4 C46 N2 -98(2) . . . . ?
C53 P4 C47 C48 161(2) . . . . ?
C53 P4 C47 C52 -16(3) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C53 C58 C57 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C53 0.0 . . . . ?
C58 C53 C54 C55 0.0 . . . . ?
C59 P5 C65 C66 -108.0(17) . . . . ?
C59 P5 C65 C70 68.1(16) . . . . ?
C59 P5 C71 C72 45(3) . . . . ?
C59 P5 C71 N3 -133.8(17) . . . . ?
C59 C60 C61 C62 -1(5) . . . . ?
C60 C59 C64 C63 -4(4) . . . . ?
C60 C61 C62 C63 -1(4) . . . . ?
C61 C62 C63 C64 0(5) . . . . ?
C62 C63 C64 C59 2(5) . . . . ?
C64 C59 C60 C61 3(4) . . . . ?
C65 P5 C59 C60 -127(2) . . . . ?
C65 P5 C59 C64 50(3) . . . . ?
C65 P5 C71 C72 -66(3) . . . . ?
C65 P5 C71 N3 115.4(17) . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C65 C70 C69 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C68 C69 C70 C65 0.0 . . . . ?
C70 C65 C66 C67 0.0 . . . . ?
C71 P5 C59 C60 120(2) . . . . ?
C71 P5 C59 C64 -63(3) . . . . ?
C71 P5 C65 C66 5.1(19) . . . . ?
C71 P5 C65 C70 -178.8(13) . . . . ?
C71 C72 C73 C74 0(4) . . . . ?
C72 C71 N3 C75 -4(3) . . . . ?
C72 C73 C74 C75 3(4) . . . . ?
C73 C74 C75 P6 175.5(18) . . . . ?
C73 C74 C75 N3 -7(4) . . . . ?
C74 C75 N3 C71 7(3) . . . . ?
C75 P6 C76 C77 -75(2) . . . . ?
C75 P6 C76 C81 102(2) . . . . ?
C75 P6 C82 C83 -39(2) . . . . ?
C75 P6 C82 C87 136.8(19) . . . . ?
N3 C71 C72 C73 0(4) . . . . ?
C76 P6 C75 C74 -32(2) . . . . ?
C76 P6 C75 N3 150.2(16) . . . . ?
C76 P6 C82 C83 70(2) . . . . ?
C76 P6 C82 C87 -114(2) . . . . ?
C76 C77 C78 C79 5(5) . . . . ?
C77 C76 C81 C80 0(5) . . . . ?
C77 C78 C79 C80 -6(5) . . . . ?
C78 C79 C80 C81 4(5) . . . . ?
C79 C80 C81 C76 -1(5) . . . . ?
C81 C76 C77 C78 -2(5) . . . . ?
C82 P6 C75 C74 78(2) . . . . ?
C82 P6 C75 N3 -100.6(16) . . . . ?
C82 P6 C76 C77 173(2) . . . . ?
C82 P6 C76 C81 -9(3) . . . . ?
C82 C83 C84 C85 -6(4) . . . . ?
C83 C82 C87 C86 -3(4) . . . . ?
C83 C84 C85 C86 7(4) . . . . ?
C84 C85 C86 C87 -5(4) . . . . ?
C85 C86 C87 C82 3(4) . . . . ?
C87 C82 C83 C84 5(4) . . . . ?
C88 P7 C94 C95 38(2) . . . . ?
C88 P7 C94 C99 -148(2) . . . . ?
C88 P7 C100 C101 73(3) . . . . ?
C88 P7 C100 N4 -111.2(18) . . . . ?
C88 C89 C90 C91 0.0 . . . . ?
C89 C88 C93 C92 0.0 . . . . ?
C89 C90 C91 C92 0.0 . . . . ?
C90 C91 C92 C93 0.0 . . . . ?
C91 C92 C93 C88 0.0 . . . . ?
C93 C88 C89 C90 0.0 . . . . ?
C94 P7 C88 C89 -121.6(12) . . . . ?
C94 P7 C88 C93 64.1(14) . . . . ?
C94 P7 C100 C101 -37(3) . . . . ?
C94 P7 C100 N4 138.1(18) . . . . ?
C94 C95 C96 C97 -2(6) . . . . ?
C95 C94 C99 C98 2(5) . . . . ?
C95 C96 C97 C98 3(6) . . . . ?
C96 C97 C98 C99 -1(5) . . . . ?
C97 C98 C99 C94 -1(5) . . . . ?
C99 C94 C95 C96 0(5) . . . . ?
C100 P7 C88 C89 126.4(13) . . . . ?
C100 P7 C88 C93 -48.0(15) . . . . ?
C100 P7 C94 C95 148(2) . . . . ?
C100 P7 C94 C99 -38(3) . . . . ?
C100 C101 C102 C103 -7(4) . . . . ?
C101 C100 N4 C104 -7(4) . . . . ?
C101 C102 C103 C104 3(4) . . . . ?
C102 C103 C104 P8 -176.9(19) . . . . ?
C102 C103 C104 N4 0(4) . . . . ?
C103 C104 N4 C100 1(4) . . . . ?
C104 P8 C105 C106 -61.6(17) . . . . ?
C104 P8 C105 C110 117.8(18) . . . . ?
C104 P8 C111 C112 -46(2) . . . . ?
C104 P8 C111 C116 132(2) . . . . ?
N4 C100 C101 C102 9(4) . . . . ?
C105 P8 C104 C103 -47(3) . . . . ?
C105 P8 C104 N4 135.3(18) . . . . ?
C105 P8 C111 C112 64(2) . . . . ?
C105 P8 C111 C116 -118(2) . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C106 C105 C110 C109 0.0 . . . . ?
C106 C107 C108 C109 0.0 . . . . ?
C107 C108 C109 C110 0.0 . . . . ?
C108 C109 C110 C105 0.0 . . . . ?
C110 C105 C106 C107 0.0 . . . . ?
C111 P8 C104 C103 64(3) . . . . ?
C111 P8 C104 N4 -113.1(18) . . . . ?
C111 P8 C105 C106 -174.7(15) . . . . ?
C111 P8 C105 C110 5(2) . . . . ?
C111 C112 C113 C114 2(4) . . . . ?
C112 C111 C116 C115 0(4) . . . . ?
C112 C113 C114 C115 4(5) . . . . ?
C113 C114 C115 C116 -9(5) . . . . ?
C114 C115 C116 C111 7(5) . . . . ?
C116 C111 C112 C113 -5(4) . . . . ?
C117 P9 C123 C124 -29(3) . . . . ?
C117 P9 C123 C128 152(2) . . . . ?
C117 P9 C129 C130 79(3) . . . . ?
C117 P9 C129 N5 -107(2) . . . . ?
C117 C118 C119 C120 3(4) . . . . ?
C118 C117 C122 C121 -3(4) . . . . ?
C118 C119 C120 C121 -3(5) . . . . ?
C119 C120 C121 C122 -1(4) . . . . ?
C120 C121 C122 C117 3(4) . . . . ?
C122 C117 C118 C119 0(4) . . . . ?
C123 P9 C117 C118 -113(2) . . . . ?
C123 P9 C117 C122 71(3) . . . . ?
C123 P9 C129 C130 -35(3) . . . . ?
C123 P9 C129 N5 139(2) . . . . ?
C123 C124 C125 C126 -3(5) . . . . ?
C124 C123 C128 C127 -5(4) . . . . ?
C124 C125 C126 C127 2(5) . . . . ?
C125 C126 C127 C128 -3(5) . . . . ?
C126 C127 C128 C123 4(5) . . . . ?
C128 C123 C124 C125 4(5) . . . . ?
C129 P9 C117 C118 136(2) . . . . ?
C129 P9 C117 C122 -40(2) . . . . ?
C129 P9 C123 C124 83(3) . . . . ?
C129 P9 C123 C128 -97(2) . . . . ?
C129 C130 C131 C132 -8(4) . . . . ?
C130 C129 N5 C133 -6(4) . . . . ?
C130 C131 C132 C133 8(4) . . . . ?
C131 C132 C133 P10 -175(2) . . . . ?
C131 C132 C133 N5 -7(4) . . . . ?
C132 C133 N5 C129 6(4) . . . . ?
C133 P10 C134 C135 -74.9(16) . . . . ?
C133 P10 C134 C139 106.5(16) . . . . ?
C133 P10 C140 C141 -36(4) . . . . ?
C133 P10 C140 C145 146(3) . . . . ?
N5 C129 C130 C131 7(4) . . . . ?
C134 P10 C133 C132 -63(3) . . . . ?
C134 P10 C133 N5 128.0(18) . . . . ?
C134 P10 C140 C141 73(4) . . . . ?
C134 P10 C140 C145 -105(3) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C134 C139 C138 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C137 C138 C139 0.0 . . . . ?
C137 C138 C139 C134 0.0 . . . . ?
C139 C134 C135 C136 0.0 . . . . ?
C140 P10 C133 C132 48(3) . . . . ?
C140 P10 C133 N5 -121(2) . . . . ?
C140 P10 C134 C135 173.5(16) . . . . ?
C140 P10 C134 C139 -5(2) . . . . ?
C140 C141 C142 C143 3(6) . . . . ?
C141 C140 C145 C144 -1(6) . . . . ?
C141 C142 C143 C144 -5(7) . . . . ?
C142 C143 C144 C145 4(6) . . . . ?
C143 C144 C145 C140 -1(5) . . . . ?
C145 C140 C141 C142 0(6) . . . . ?

_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 0.554 0.618 1983.5 516.0 ?
2 0.152 0.183 0.641 27.0 9.1 ?
3 0.152 0.317 0.141 27.0 11.8 ?
4 0.500 0.125 0.582 1983.5 516.0 ?
5 0.348 0.683 0.641 27.0 14.0 ?
6 0.348 0.817 0.141 27.0 10.5 ?
7 0.652 0.183 0.859 27.0 12.0 ?
8 0.652 0.317 0.359 27.0 8.5 ?
9 0.848 0.683 0.859 27.0 10.7 ?
10 0.848 0.817 0.359 27.0 13.4 ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.022
_oxdiff_exptl_absorpt_empirical_full_min 0.732

# start Validation Reply Form
_vrf_PLAT971_Au13PNP5Cl5         
;
PROBLEM: Check calcd resid. dens. 0.94Ang from Au8
PROBLEM: Check calcd resid. dens. 0.82Ang from Au13
PROBLEM: Check calcd resid. dens. 0.85Ang from Au2
PROBLEM: ......
RESPONSE: The residual electron densities are not alarming given that 
the structure contains heavy X-ray absorbing elements, such as Au. 
The residual electron density near heavy atoms could be an artifact 
due to the limitation of absorption corrections.
;
_vrf_PLAT972_Au13PNP5Cl5         
;
PROBLEM: Check calcd resid. dens. 1.63Ang from Au1
RESPONSE: The residual electron densities are not alarming given that 
the structure contains heavy X-ray absorbing elements, such as Au. 
The residual electron density near heavy atoms could be an artifact 
due to the limitation of absorption corrections.
;
_vrf_PLAT342_Au13PNP5Cl5         
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.03826 Ang.
RESPONSE: Moderate data quality was in context with severe desolvation 
prior to X-ray data collection and Au as heavy atom. Most of phenyl ring 
carbons are still somewhat mobile despite collecting data at low temperature 
of 150 K. Although constraints/restraints were carried out, this problem 
still cannot be solved perfectly.
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: methanol/isopropyl ether'
_exptl_crystal_preparation       Luminescent
