#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/42/4304293.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4304293
loop_
_publ_author_name
'Jacob Schneider'
'Young-A Lee'
'Javier Pérez'
'William W. Brennessel'
'Christine Flaschenriem'
'Richard Eisenberg'
_publ_section_title
;
Strong Intra- and Intermolecular Aurophilic Interactions in a New Series of
Brilliantly Luminescent Dinuclear Cationic and Neutral Au(I)
Benzimidazolethiolate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              957
_journal_page_last               968
_journal_paper_doi               10.1021/ic701763x
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C64 H52 Au4 N4 S2 P4, 2.5(C3 H7 N O)'
_chemical_formula_sum            'C71.5 H69.5 Au4 N6.5 O2.5 P4 S2'
_chemical_formula_weight         2035.70
_chemical_name_common            eisjs08
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.887(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.4834(17)
_cell_length_b                   17.0904(9)
_cell_length_c                   25.3173(13)
_cell_measurement_reflns_used    7740
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      29.68
_cell_measurement_theta_min      2.26
_cell_volume                     13701.0(12)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            104851
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    8.746
_exptl_absorpt_correction_T_max  0.6489
_exptl_absorpt_correction_T_min  0.1358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.974
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             7776
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.644
_refine_diff_density_min         -2.244
_refine_diff_density_rms         0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     836
_refine_ls_number_reflns         20525
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0426P)²+40.4716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0902
_reflns_number_gt                15472
_reflns_number_total             20525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701763x-file002_5.cif
_cod_data_source_block           eisjs08
_cod_original_formula_sum        'C71.50 H69.50 Au4 N6.50 O2.50 P4 S2'
_cod_database_code               4304293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.113488(6) 0.607451(11) 0.698180(8) 0.02897(5) Uani 1 1 d . . .
Au2 Au 0.042985(5) 0.569484(10) 0.743782(7) 0.02254(4) Uani 1 1 d . . .
S1 S 0.02427(4) 0.46973(7) 0.68062(5) 0.0290(2) Uani 1 1 d . . .
P1 P 0.13141(4) 0.71612(7) 0.74645(5) 0.0269(2) Uani 1 1 d . . .
P2 P 0.06499(4) 0.66463(7) 0.80706(5) 0.0237(2) Uani 1 1 d . . .
N1 N 0.10149(13) 0.5054(2) 0.65707(17) 0.0317(9) Uani 1 1 d . . .
N2 N 0.07236(14) 0.3879(2) 0.62606(17) 0.0317(9) Uani 1 1 d . . .
C1 C 0.06880(15) 0.4538(3) 0.6533(2) 0.0287(10) Uani 1 1 d . . .
C2 C 0.12915(16) 0.4685(3) 0.6309(2) 0.0340(11) Uani 1 1 d . . .
C3 C 0.16825(18) 0.4931(4) 0.6233(2) 0.0430(13) Uani 1 1 d . . .
H3A H 0.1799 0.5422 0.6364 0.052 Uiso 1 1 calc R . .
C4 C 0.18935(19) 0.4428(4) 0.5958(3) 0.0475(15) Uani 1 1 d . . .
H4A H 0.2163 0.4570 0.5901 0.057 Uiso 1 1 calc R . .
C5 C 0.17166(19) 0.3718(4) 0.5764(2) 0.0448(14) Uani 1 1 d . . .
H5A H 0.1870 0.3384 0.5577 0.054 Uiso 1 1 calc R . .
C6 C 0.13235(18) 0.3477(3) 0.5832(2) 0.0396(12) Uani 1 1 d . . .
H6A H 0.1205 0.2992 0.5691 0.048 Uiso 1 1 calc R . .
C7 C 0.11097(17) 0.3974(3) 0.6115(2) 0.0334(11) Uani 1 1 d . . .
C8 C 0.09034(14) 0.7469(3) 0.78048(19) 0.0243(9) Uani 1 1 d . . .
H8A H 0.0686 0.7767 0.7546 0.029 Uiso 1 1 calc R . .
H8B H 0.1029 0.7823 0.8107 0.029 Uiso 1 1 calc R . .
C9 C 0.14246(15) 0.7991(3) 0.7081(2) 0.0343(11) Uani 1 1 d . . .
C10 C 0.1361(2) 0.8754(3) 0.7215(3) 0.0510(16) Uani 1 1 d . . .
H10A H 0.1236 0.8866 0.7512 0.061 Uiso 1 1 calc R . .
C11 C 0.1481(2) 0.9361(4) 0.6916(4) 0.073(3) Uani 1 1 d . . .
H11A H 0.1428 0.9888 0.7001 0.088 Uiso 1 1 calc R . .
C12 C 0.1673(2) 0.9202(5) 0.6503(4) 0.083(3) Uani 1 1 d . . .
H12A H 0.1765 0.9622 0.6312 0.099 Uiso 1 1 calc R . .
C13 C 0.1737(2) 0.8450(5) 0.6358(3) 0.068(2) Uani 1 1 d . . .
H13A H 0.1865 0.8345 0.6063 0.081 Uiso 1 1 calc R . .
C14 C 0.16104(18) 0.7840(4) 0.6649(2) 0.0456(14) Uani 1 1 d . . .
H14A H 0.1652 0.7314 0.6551 0.055 Uiso 1 1 calc R . .
C15 C 0.17908(15) 0.7024(3) 0.7982(2) 0.0339(11) Uani 1 1 d . . .
C16 C 0.19332(19) 0.6268(4) 0.8131(2) 0.0480(15) Uani 1 1 d . . .
H16A H 0.1782 0.5830 0.7956 0.058 Uiso 1 1 calc R . .
C17 C 0.2295(2) 0.6155(6) 0.8534(3) 0.081(3) Uani 1 1 d . . .
H17A H 0.2390 0.5641 0.8642 0.097 Uiso 1 1 calc R . .
C18 C 0.2517(2) 0.6800(7) 0.8776(3) 0.086(3) Uani 1 1 d . . .
H18A H 0.2767 0.6725 0.9050 0.103 Uiso 1 1 calc R . .
C19 C 0.2384(2) 0.7540(7) 0.8631(3) 0.086(3) Uani 1 1 d . . .
H19A H 0.2541 0.7975 0.8803 0.103 Uiso 1 1 calc R . .
C20 C 0.2021(2) 0.7660(5) 0.8230(3) 0.0613(19) Uani 1 1 d . . .
H20A H 0.1930 0.8177 0.8126 0.074 Uiso 1 1 calc R . .
C21 C 0.10470(14) 0.6279(3) 0.86289(19) 0.0274(10) Uani 1 1 d . . .
C22 C 0.11151(16) 0.5473(3) 0.8690(2) 0.0349(11) Uani 1 1 d . . .
H22A H 0.0944 0.5121 0.8445 0.042 Uiso 1 1 calc R . .
C23 C 0.14271(19) 0.5186(3) 0.9103(2) 0.0424(13) Uani 1 1 d . . .
H23A H 0.1471 0.4637 0.9141 0.051 Uiso 1 1 calc R . .
C24 C 0.16761(18) 0.5688(4) 0.9459(2) 0.0432(13) Uani 1 1 d . . .
H24A H 0.1892 0.5489 0.9744 0.052 Uiso 1 1 calc R . .
C25 C 0.16113(18) 0.6492(4) 0.9401(2) 0.0406(13) Uani 1 1 d . . .
H25A H 0.1783 0.6841 0.9647 0.049 Uiso 1 1 calc R . .
C26 C 0.13005(16) 0.6780(3) 0.8991(2) 0.0344(11) Uani 1 1 d . . .
H26A H 0.1258 0.7329 0.8955 0.041 Uiso 1 1 calc R . .
C27 C 0.02462(14) 0.7077(3) 0.83754(19) 0.0275(9) Uani 1 1 d . . .
C28 C 0.00794(16) 0.6623(3) 0.8728(2) 0.0327(11) Uani 1 1 d . . .
H28A H 0.0192 0.6118 0.8829 0.039 Uiso 1 1 calc R . .
C29 C -0.02551(16) 0.6908(4) 0.8937(2) 0.0412(13) Uani 1 1 d . . .
H29A H -0.0374 0.6590 0.9173 0.049 Uiso 1 1 calc R . .
C30 C -0.04104(16) 0.7630(4) 0.8807(2) 0.0417(14) Uani 1 1 d . . .
H30A H -0.0637 0.7818 0.8953 0.050 Uiso 1 1 calc R . .
C31 C -0.02427(16) 0.8103(4) 0.8461(2) 0.0396(13) Uani 1 1 d . . .
H31A H -0.0353 0.8613 0.8373 0.047 Uiso 1 1 calc R . .
C32 C 0.00863(15) 0.7828(3) 0.8243(2) 0.0317(10) Uani 1 1 d . . .
H32A H 0.0202 0.8149 0.8006 0.038 Uiso 1 1 calc R . .
Au3 Au 0.430687(6) 0.609456(11) 0.588358(7) 0.02735(5) Uani 1 1 d . . .
Au4 Au 0.487496(5) 0.565964(10) 0.690387(7) 0.02426(4) Uani 1 1 d . . .
S2 S 0.44242(4) 0.46446(7) 0.69958(5) 0.0324(3) Uani 1 1 d . . .
P3 P 0.47165(4) 0.70921(7) 0.57328(5) 0.0275(2) Uani 1 1 d . . .
P4 P 0.53279(4) 0.66304(7) 0.67977(5) 0.0247(2) Uani 1 1 d . . .
N3 N 0.39403(12) 0.5170(2) 0.60114(16) 0.0296(9) Uani 1 1 d . . .
N4 N 0.37579(13) 0.3999(2) 0.63293(19) 0.0348(10) Uani 1 1 d . . .
C33 C 0.40207(15) 0.4604(3) 0.6405(2) 0.0282(10) Uani 1 1 d . . .
C34 C 0.35815(15) 0.4901(3) 0.5651(2) 0.0333(11) Uani 1 1 d . . .
C35 C 0.33344(16) 0.5260(4) 0.5193(2) 0.0392(12) Uani 1 1 d . . .
H35A H 0.3408 0.5754 0.5068 0.047 Uiso 1 1 calc R . .
C36 C 0.29737(19) 0.4858(4) 0.4928(2) 0.0483(15) Uani 1 1 d . . .
H36A H 0.2795 0.5084 0.4617 0.058 Uiso 1 1 calc R . .
C37 C 0.28726(19) 0.4135(4) 0.5109(3) 0.0531(17) Uani 1 1 d . . .
H37A H 0.2627 0.3872 0.4915 0.064 Uiso 1 1 calc R . .
C38 C 0.31166(19) 0.3785(4) 0.5561(3) 0.0490(15) Uani 1 1 d . . .
H38A H 0.3045 0.3284 0.5677 0.059 Uiso 1 1 calc R . .
C39 C 0.34726(16) 0.4187(3) 0.5846(2) 0.0363(12) Uani 1 1 d . . .
C40 C 0.50581(15) 0.7416(3) 0.63665(18) 0.0265(9) Uani 1 1 d . . .
H40A H 0.4886 0.7717 0.6573 0.032 Uiso 1 1 calc R . .
H40B H 0.5273 0.7776 0.6281 0.032 Uiso 1 1 calc R . .
C41 C 0.44443(16) 0.7974(3) 0.54436(19) 0.0330(11) Uani 1 1 d . . .
C42 C 0.4633(2) 0.8700(3) 0.5539(2) 0.0428(13) Uani 1 1 d . . .
H42A H 0.4902 0.8749 0.5779 0.051 Uiso 1 1 calc R . .
C43 C 0.4430(2) 0.9362(3) 0.5284(3) 0.0539(17) Uani 1 1 d . . .
H43A H 0.4557 0.9863 0.5353 0.065 Uiso 1 1 calc R . .
C44 C 0.4038(2) 0.9284(4) 0.4926(3) 0.0532(17) Uani 1 1 d . . .
H44A H 0.3898 0.9732 0.4749 0.064 Uiso 1 1 calc R . .
C45 C 0.3854(2) 0.8563(4) 0.4831(3) 0.0552(17) Uani 1 1 d . . .
H45A H 0.3589 0.8512 0.4585 0.066 Uiso 1 1 calc R . .
C46 C 0.40548(18) 0.7901(3) 0.5093(2) 0.0419(13) Uani 1 1 d . . .
H46A H 0.3923 0.7402 0.5030 0.050 Uiso 1 1 calc R . .
C47 C 0.50528(15) 0.6846(3) 0.52723(18) 0.0285(10) Uani 1 1 d . . .
C48 C 0.49856(18) 0.6158(3) 0.4976(2) 0.0356(11) Uani 1 1 d . . .
H48A H 0.4768 0.5809 0.5021 0.043 Uiso 1 1 calc R . .
C49 C 0.52360(19) 0.5978(3) 0.4614(2) 0.0397(13) Uani 1 1 d . . .
H49A H 0.5191 0.5504 0.4413 0.048 Uiso 1 1 calc R . .
C50 C 0.55465(18) 0.6480(3) 0.4545(2) 0.0367(12) Uani 1 1 d . . .
H50A H 0.5719 0.6352 0.4299 0.044 Uiso 1 1 calc R . .
C51 C 0.56121(17) 0.7178(3) 0.4833(2) 0.0355(11) Uani 1 1 d . . .
H51A H 0.5825 0.7530 0.4779 0.043 Uiso 1 1 calc R . .
C52 C 0.53660(16) 0.7359(3) 0.51973(19) 0.0317(10) Uani 1 1 d . . .
H52A H 0.5411 0.7835 0.5396 0.038 Uiso 1 1 calc R . .
C53 C 0.57346(17) 0.6310(3) 0.6461(2) 0.0357(11) Uani 1 1 d . . .
C54 C 0.5676(2) 0.5661(4) 0.6134(3) 0.0516(16) Uani 1 1 d . . .
H54A H 0.5437 0.5331 0.6116 0.062 Uiso 1 1 calc R . .
C55 C 0.5981(2) 0.5489(5) 0.5819(3) 0.0621(19) Uani 1 1 d . . .
H55A H 0.5947 0.5047 0.5586 0.075 Uiso 1 1 calc R . .
C56 C 0.6317(3) 0.5966(5) 0.5861(3) 0.067(2) Uani 1 1 d . . .
H56A H 0.6511 0.5867 0.5638 0.081 Uiso 1 1 calc R . .
C57 C 0.6389(2) 0.6572(5) 0.6200(4) 0.069(2) Uani 1 1 d . . .
H57A H 0.6642 0.6866 0.6242 0.083 Uiso 1 1 calc R . .
C58 C 0.6092(2) 0.6767(4) 0.6491(3) 0.0542(17) Uani 1 1 d . . .
H58A H 0.6132 0.7220 0.6714 0.065 Uiso 1 1 calc R . .
C59 C 0.56148(15) 0.7120(3) 0.74058(19) 0.0285(10) Uani 1 1 d . . .
C60 C 0.59205(15) 0.6697(3) 0.7769(2) 0.0322(10) Uani 1 1 d . . .
H60A H 0.5975 0.6168 0.7691 0.039 Uiso 1 1 calc R . .
C61 C 0.61454(18) 0.7041(3) 0.8240(2) 0.0399(12) Uani 1 1 d . . .
H61A H 0.6352 0.6749 0.8487 0.048 Uiso 1 1 calc R . .
C62 C 0.60662(18) 0.7818(4) 0.8352(2) 0.0442(14) Uani 1 1 d . . .
H62A H 0.6220 0.8057 0.8675 0.053 Uiso 1 1 calc R . .
C63 C 0.57683(19) 0.8236(3) 0.7997(2) 0.0420(13) Uani 1 1 d . . .
H63A H 0.5715 0.8764 0.8077 0.050 Uiso 1 1 calc R . .
C64 C 0.55411(17) 0.7894(3) 0.7518(2) 0.0333(11) Uani 1 1 d . . .
H64A H 0.5338 0.8191 0.7271 0.040 Uiso 1 1 calc R . .
O1 O 0.2280(3) 0.6755(4) 0.6223(5) 0.149(4) Uani 1 1 d D . .
C67 C 0.2556(4) 0.6259(6) 0.6264(6) 0.114(5) Uani 1 1 d D . .
H67A H 0.2659 0.6160 0.5947 0.137 Uiso 1 1 calc R . .
N5 N 0.2729(2) 0.5842(4) 0.6701(4) 0.085(2) Uani 1 1 d D . .
C68 C 0.2597(4) 0.5982(8) 0.7208(5) 0.137(5) Uani 1 1 d D . .
H68A H 0.2373 0.6378 0.7149 0.206 Uiso 1 1 calc R . .
H68B H 0.2839 0.6168 0.7483 0.206 Uiso 1 1 calc R . .
H68C H 0.2491 0.5494 0.7331 0.206 Uiso 1 1 calc R . .
C69 C 0.3032(3) 0.5258(5) 0.6691(5) 0.099(3) Uani 1 1 d D . .
H69A H 0.3063 0.5182 0.6318 0.149 Uiso 1 1 calc R . .
H69B H 0.2941 0.4767 0.6830 0.149 Uiso 1 1 calc R . .
H69C H 0.3304 0.5420 0.6919 0.149 Uiso 1 1 calc R . .
O2 O 0.2852(4) 0.9017(7) 0.6322(4) 0.197(6) Uani 1 1 d . . .
C70 C 0.2847(3) 0.8549(7) 0.6671(5) 0.102(3) Uani 1 1 d . . .
H70A H 0.2700 0.8075 0.6561 0.122 Uiso 1 1 calc R . .
N6 N 0.3022(2) 0.8613(4) 0.7191(3) 0.0719(18) Uani 1 1 d . . .
C71 C 0.3348(3) 0.9151(6) 0.7353(5) 0.105(4) Uani 1 1 d . . .
H71A H 0.3391 0.9444 0.7037 0.157 Uiso 1 1 calc R . .
H71B H 0.3609 0.8872 0.7519 0.157 Uiso 1 1 calc R . .
H71C H 0.3275 0.9514 0.7617 0.157 Uiso 1 1 calc R . .
C72 C 0.2967(6) 0.8105(9) 0.7584(6) 0.215(10) Uani 1 1 d . . .
H72A H 0.2803 0.7653 0.7416 0.323 Uiso 1 1 calc R . .
H72B H 0.2814 0.8369 0.7827 0.323 Uiso 1 1 calc R . .
H72C H 0.3242 0.7930 0.7792 0.323 Uiso 1 1 calc R . .
O3 O 0.1880(5) 0.7853(9) 0.5134(10) 0.159(7) Uani 0.50 1 d PD A -1
C73 C 0.2254(6) 0.7908(13) 0.5207(15) 0.159(7) Uani 0.50 1 d PD A -1
H73A H 0.2385 0.8345 0.5409 0.191 Uiso 0.50 1 calc PR A -1
N7 N 0.2505(7) 0.740(4) 0.503(4) 0.104(15) Uani 0.50 1 d PD A -1
C74 C 0.2301(6) 0.6698(14) 0.4742(10) 0.132(10) Uani 0.50 1 d PD A -1
H74A H 0.2513 0.6377 0.4622 0.199 Uiso 0.50 1 calc PR A -1
H74B H 0.2083 0.6860 0.4427 0.199 Uiso 0.50 1 calc PR A -1
H74C H 0.2170 0.6392 0.4989 0.199 Uiso 0.50 1 calc PR A -1
C75 C 0.2942(5) 0.7435(14) 0.5255(9) 0.105(7) Uani 0.50 1 d PD A -1
H75A H 0.3090 0.7042 0.5084 0.158 Uiso 0.50 1 calc PR A -1
H75B H 0.2993 0.7333 0.5645 0.158 Uiso 0.50 1 calc PR A -1
H75C H 0.3047 0.7958 0.5195 0.158 Uiso 0.50 1 calc PR A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Au1 P1 175.70(13) . . ?
N1 Au1 Au2 86.13(11) . . ?
P1 Au1 Au2 95.88(3) . . ?
P2 Au2 S1 176.88(4) . . ?
P2 Au2 Au1 88.17(3) . . ?
S1 Au2 Au1 89.93(3) . . ?
P2 Au2 Au2 94.75(3) . 2_556 ?
S1 Au2 Au2 87.94(3) . 2_556 ?
Au1 Au2 Au2 158.085(9) . 2_556 ?
C1 S1 Au2 105.84(17) . . ?
C9 P1 C15 104.6(2) . . ?
C9 P1 C8 106.5(2) . . ?
C15 P1 C8 107.1(2) . . ?
C9 P1 Au1 114.8(2) . . ?
C15 P1 Au1 111.52(19) . . ?
C8 P1 Au1 111.78(15) . . ?
C21 P2 C27 105.4(2) . . ?
C21 P2 C8 104.7(2) . . ?
C27 P2 C8 105.8(2) . . ?
C21 P2 Au2 111.11(17) . . ?
C27 P2 Au2 116.32(15) . . ?
C8 P2 Au2 112.64(16) . . ?
C1 N1 C2 104.4(4) . . ?
C1 N1 Au1 130.5(3) . . ?
C2 N1 Au1 124.7(3) . . ?
C1 N2 C7 103.0(4) . . ?
N2 C1 N1 115.1(4) . . ?
N2 C1 S1 120.4(4) . . ?
N1 C1 S1 124.5(4) . . ?
N1 C2 C3 129.8(5) . . ?
N1 C2 C7 107.3(4) . . ?
C3 C2 C7 122.8(5) . . ?
C4 C3 C2 117.0(6) . . ?
C4 C3 H3A 121.5 . . ?
C2 C3 H3A 121.5 . . ?
C3 C4 C5 120.7(6) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C4 C5 C6 122.4(5) . . ?
C4 C5 H5A 118.8 . . ?
C6 C5 H5A 118.8 . . ?
C5 C6 C7 117.4(5) . . ?
C5 C6 H6A 121.3 . . ?
C7 C6 H6A 121.3 . . ?
C2 C7 C6 119.6(5) . . ?
C2 C7 N2 110.1(4) . . ?
C6 C7 N2 130.3(5) . . ?
P1 C8 P2 112.9(2) . . ?
P1 C8 H8A 109.0 . . ?
P2 C8 H8A 109.0 . . ?
P1 C8 H8B 109.0 . . ?
P2 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C14 119.2(5) . . ?
C10 C9 P1 123.7(4) . . ?
C14 C9 P1 117.0(4) . . ?
C9 C10 C11 119.8(6) . . ?
C9 C10 H10A 120.1 . . ?
C11 C10 H10A 120.1 . . ?
C12 C11 C10 120.2(7) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C13 121.2(6) . . ?
C11 C12 H12A 119.4 . . ?
C13 C12 H12A 119.4 . . ?
C12 C13 C14 118.8(7) . . ?
C12 C13 H13A 120.6 . . ?
C14 C13 H13A 120.6 . . ?
C9 C14 C13 120.7(6) . . ?
C9 C14 H14A 119.6 . . ?
C13 C14 H14A 119.6 . . ?
C20 C15 C16 119.4(6) . . ?
C20 C15 P1 121.0(4) . . ?
C16 C15 P1 119.6(5) . . ?
C17 C16 C15 120.2(7) . . ?
C17 C16 H16A 119.9 . . ?
C15 C16 H16A 119.9 . . ?
C18 C17 C16 119.2(8) . . ?
C18 C17 H17A 120.4 . . ?
C16 C17 H17A 120.4 . . ?
C19 C18 C17 121.2(7) . . ?
C19 C18 H18A 119.4 . . ?
C17 C18 H18A 119.4 . . ?
C18 C19 C20 120.1(8) . . ?
C18 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C15 C20 C19 119.9(7) . . ?
C15 C20 H20A 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C26 C21 C22 118.7(5) . . ?
C26 C21 P2 121.4(4) . . ?
C22 C21 P2 119.9(4) . . ?
C23 C22 C21 120.6(5) . . ?
C23 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
C23 C24 C25 119.7(5) . . ?
C23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
C26 C25 C24 120.2(5) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C25 C26 C21 120.6(5) . . ?
C25 C26 H26A 119.7 . . ?
C21 C26 H26A 119.7 . . ?
C28 C27 C32 119.5(4) . . ?
C28 C27 P2 118.1(4) . . ?
C32 C27 P2 122.3(4) . . ?
C27 C28 C29 119.9(5) . . ?
C27 C28 H28A 120.0 . . ?
C29 C28 H28A 120.0 . . ?
C30 C29 C28 120.5(5) . . ?
C30 C29 H29A 119.8 . . ?
C28 C29 H29A 119.8 . . ?
C29 C30 C31 120.6(5) . . ?
C29 C30 H30A 119.7 . . ?
C31 C30 H30A 119.7 . . ?
C32 C31 C30 119.9(5) . . ?
C32 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C31 C32 C27 119.5(5) . . ?
C31 C32 H32A 120.3 . . ?
C27 C32 H32A 120.3 . . ?
N3 Au3 P3 178.75(11) . . ?
N3 Au3 Au4 86.49(11) . . ?
P3 Au3 Au4 93.56(3) . . ?
P4 Au4 S2 178.17(5) . . ?
P4 Au4 Au3 90.44(3) . . ?
S2 Au4 Au3 89.46(3) . . ?
P4 Au4 Au4 94.78(3) . 2_656 ?
S2 Au4 Au4 86.16(3) . 2_656 ?
Au3 Au4 Au4 152.014(9) . 2_656 ?
C33 S2 Au4 108.18(17) . . ?
C47 P3 C41 104.0(2) . . ?
C47 P3 C40 107.5(2) . . ?
C41 P3 C40 104.4(2) . . ?
C47 P3 Au3 113.39(17) . . ?
C41 P3 Au3 116.39(19) . . ?
C40 P3 Au3 110.39(16) . . ?
C53 P4 C59 104.4(2) . . ?
C53 P4 C40 104.1(2) . . ?
C59 P4 C40 104.8(2) . . ?
C53 P4 Au4 113.2(2) . . ?
C59 P4 Au4 117.35(16) . . ?
C40 P4 Au4 111.74(16) . . ?
C33 N3 C34 103.9(4) . . ?
C33 N3 Au3 129.5(3) . . ?
C34 N3 Au3 125.7(4) . . ?
C33 N4 C39 103.0(4) . . ?
N4 C33 N3 115.7(4) . . ?
N4 C33 S2 119.1(4) . . ?
N3 C33 S2 125.2(4) . . ?
N3 C34 C39 107.4(4) . . ?
N3 C34 C35 130.0(5) . . ?
C39 C34 C35 122.4(5) . . ?
C36 C35 C34 116.7(6) . . ?
C36 C35 H35A 121.7 . . ?
C34 C35 H35A 121.7 . . ?
C37 C36 C35 121.1(6) . . ?
C37 C36 H36A 119.4 . . ?
C35 C36 H36A 119.4 . . ?
C38 C37 C36 122.0(6) . . ?
C38 C37 H37A 119.0 . . ?
C36 C37 H37A 119.0 . . ?
C37 C38 C39 118.1(6) . . ?
C37 C38 H38A 120.9 . . ?
C39 C38 H38A 120.9 . . ?
C34 C39 N4 109.9(4) . . ?
C34 C39 C38 119.6(5) . . ?
N4 C39 C38 130.4(6) . . ?
P3 C40 P4 114.8(2) . . ?
P3 C40 H40A 108.6 . . ?
P4 C40 H40A 108.6 . . ?
P3 C40 H40B 108.6 . . ?
P4 C40 H40B 108.6 . . ?
H40A C40 H40B 107.5 . . ?
C46 C41 C42 120.1(5) . . ?
C46 C41 P3 118.6(4) . . ?
C42 C41 P3 121.2(4) . . ?
C41 C42 C43 120.1(6) . . ?
C41 C42 H42A 119.9 . . ?
C43 C42 H42A 119.9 . . ?
C42 C43 C44 119.6(6) . . ?
C42 C43 H43A 120.2 . . ?
C44 C43 H43A 120.2 . . ?
C45 C44 C43 120.0(5) . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C44 C45 C46 120.5(6) . . ?
C44 C45 H45A 119.7 . . ?
C46 C45 H45A 119.7 . . ?
C41 C46 C45 119.7(6) . . ?
C41 C46 H46A 120.2 . . ?
C45 C46 H46A 120.2 . . ?
C48 C47 C52 119.6(5) . . ?
C48 C47 P3 120.0(4) . . ?
C52 C47 P3 120.4(4) . . ?
C47 C48 C49 120.0(5) . . ?
C47 C48 H48A 120.0 . . ?
C49 C48 H48A 120.0 . . ?
C50 C49 C48 120.2(5) . . ?
C50 C49 H49A 119.9 . . ?
C48 C49 H49A 119.9 . . ?
C49 C50 C51 120.3(5) . . ?
C49 C50 H50A 119.9 . . ?
C51 C50 H50A 119.9 . . ?
C52 C51 C50 119.9(5) . . ?
C52 C51 H51A 120.1 . . ?
C50 C51 H51A 120.1 . . ?
C51 C52 C47 120.0(5) . . ?
C51 C52 H52A 120.0 . . ?
C47 C52 H52A 120.0 . . ?
C54 C53 C58 119.3(5) . . ?
C54 C53 P4 120.7(5) . . ?
C58 C53 P4 119.6(4) . . ?
C53 C54 C55 118.7(7) . . ?
C53 C54 H54A 120.7 . . ?
C55 C54 H54A 120.7 . . ?
C56 C55 C54 118.8(7) . . ?
C56 C55 H55A 120.6 . . ?
C54 C55 H55A 120.6 . . ?
C57 C56 C55 122.7(7) . . ?
C57 C56 H56A 118.6 . . ?
C55 C56 H56A 118.6 . . ?
C56 C57 C58 119.4(8) . . ?
C56 C57 H57A 120.3 . . ?
C58 C57 H57A 120.3 . . ?
C57 C58 C53 120.8(7) . . ?
C57 C58 H58A 119.6 . . ?
C53 C58 H58A 119.6 . . ?
C64 C59 C60 119.4(5) . . ?
C64 C59 P4 122.3(4) . . ?
C60 C59 P4 118.3(4) . . ?
C61 C60 C59 120.6(5) . . ?
C61 C60 H60A 119.7 . . ?
C59 C60 H60A 119.7 . . ?
C60 C61 C62 119.6(5) . . ?
C60 C61 H61A 120.2 . . ?
C62 C61 H61A 120.2 . . ?
C63 C62 C61 120.1(5) . . ?
C63 C62 H62A 120.0 . . ?
C61 C62 H62A 120.0 . . ?
C62 C63 C64 120.7(5) . . ?
C62 C63 H63A 119.6 . . ?
C64 C63 H63A 119.6 . . ?
C59 C64 C63 119.6(5) . . ?
C59 C64 H64A 120.2 . . ?
C63 C64 H64A 120.2 . . ?
O1 C67 N5 127.4(11) . . ?
O1 C67 H67A 116.3 . . ?
N5 C67 H67A 116.3 . . ?
C67 N5 C69 122.2(9) . . ?
C67 N5 C68 119.4(8) . . ?
C69 N5 C68 118.4(10) . . ?
N5 C68 H68A 109.5 . . ?
N5 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N5 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N5 C69 H69A 109.5 . . ?
N5 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N5 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O2 C70 N6 127.6(11) . . ?
O2 C70 H70A 116.2 . . ?
N6 C70 H70A 116.2 . . ?
C70 N6 C72 125.4(10) . . ?
C70 N6 C71 118.7(9) . . ?
C72 N6 C71 114.9(10) . . ?
N6 C71 H71A 109.5 . . ?
N6 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N6 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N6 C72 H72A 109.5 . . ?
N6 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N6 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
O3 C73 N7 125(2) . . ?
O3 C73 H73A 117.6 . . ?
N7 C73 H73A 117.6 . . ?
C73 N7 C75 117(3) . . ?
C73 N7 C74 117(2) . . ?
C75 N7 C74 123(3) . . ?
N7 C74 H74A 109.5 . . ?
N7 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N7 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N7 C75 H75A 109.5 . . ?
N7 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N7 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
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 N1 2.023(4) . ?
Au1 P1 2.2281(13) . ?
Au1 Au2 2.8597(3) . ?
Au2 P2 2.2827(12) . ?
Au2 S1 2.3237(12) . ?
Au2 Au2 2.8793(4) 2_556 ?
S1 C1 1.759(5) . ?
P1 C9 1.800(5) . ?
P1 C15 1.807(5) . ?
P1 C8 1.819(5) . ?
P2 C21 1.801(5) . ?
P2 C27 1.819(5) . ?
P2 C8 1.831(4) . ?
N1 C1 1.368(6) . ?
N1 C2 1.381(6) . ?
N2 C1 1.337(6) . ?
N2 C7 1.393(7) . ?
C2 C3 1.392(7) . ?
C2 C7 1.392(8) . ?
C3 C4 1.381(8) . ?
C3 H3A 0.9500 . ?
C4 C5 1.385(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.388(8) . ?
C5 H5A 0.9500 . ?
C6 C7 1.393(7) . ?
C6 H6A 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.375(8) . ?
C9 C14 1.385(8) . ?
C10 C11 1.389(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.360(11) . ?
C11 H11A 0.9500 . ?
C12 C13 1.366(12) . ?
C12 H12A 0.9500 . ?
C13 C14 1.391(8) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C20 1.387(9) . ?
C15 C16 1.396(8) . ?
C16 C17 1.387(9) . ?
C16 H16A 0.9500 . ?
C17 C18 1.384(13) . ?
C17 H17A 0.9500 . ?
C18 C19 1.359(13) . ?
C18 H18A 0.9500 . ?
C19 C20 1.390(9) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9500 . ?
C21 C26 1.384(7) . ?
C21 C22 1.399(7) . ?
C22 C23 1.373(7) . ?
C22 H22A 0.9500 . ?
C23 C24 1.371(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.392(8) . ?
C24 H24A 0.9500 . ?
C25 C26 1.369(7) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 C28 1.382(7) . ?
C27 C32 1.398(7) . ?
C28 C29 1.398(7) . ?
C28 H28A 0.9500 . ?
C29 C30 1.346(9) . ?
C29 H29A 0.9500 . ?
C30 C31 1.390(9) . ?
C30 H30A 0.9500 . ?
C31 C32 1.389(7) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
Au3 N3 2.047(4) . ?
Au3 P3 2.2471(13) . ?
Au3 Au4 2.9162(3) . ?
Au4 P4 2.2728(12) . ?
Au4 S2 2.3151(12) . ?
Au4 Au4 2.9457(4) 2_656 ?
S2 C33 1.757(5) . ?
P3 C47 1.816(5) . ?
P3 C41 1.817(5) . ?
P3 C40 1.821(5) . ?
P4 C53 1.809(5) . ?
P4 C59 1.816(5) . ?
P4 C40 1.827(5) . ?
N3 C33 1.371(6) . ?
N3 C34 1.389(6) . ?
N4 C33 1.328(6) . ?
N4 C39 1.398(7) . ?
C34 C39 1.392(8) . ?
C34 C35 1.396(7) . ?
C35 C36 1.395(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.382(10) . ?
C36 H36A 0.9500 . ?
C37 C38 1.376(9) . ?
C37 H37A 0.9500 . ?
C38 C39 1.399(8) . ?
C38 H38A 0.9500 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C46 1.380(8) . ?
C41 C42 1.382(8) . ?
C42 C43 1.393(8) . ?
C42 H42A 0.9500 . ?
C43 C44 1.394(10) . ?
C43 H43A 0.9500 . ?
C44 C45 1.366(10) . ?
C44 H44A 0.9500 . ?
C45 C46 1.397(8) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C47 C48 1.386(7) . ?
C47 C52 1.388(7) . ?
C48 C49 1.389(8) . ?
C48 H48A 0.9500 . ?
C49 C50 1.365(8) . ?
C49 H49A 0.9500 . ?
C50 C51 1.389(7) . ?
C50 H50A 0.9500 . ?
C51 C52 1.384(7) . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 C54 1.373(8) . ?
C53 C58 1.387(9) . ?
C54 C55 1.434(9) . ?
C54 H54A 0.9500 . ?
C55 C56 1.348(11) . ?
C55 H55A 0.9500 . ?
C56 C57 1.332(12) . ?
C56 H56A 0.9500 . ?
C57 C58 1.378(8) . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9500 . ?
C59 C64 1.385(7) . ?
C59 C60 1.395(7) . ?
C60 C61 1.384(7) . ?
C60 H60A 0.9500 . ?
C61 C62 1.394(8) . ?
C61 H61A 0.9500 . ?
C62 C63 1.366(8) . ?
C62 H62A 0.9500 . ?
C63 C64 1.400(7) . ?
C63 H63A 0.9500 . ?
C64 H64A 0.9500 . ?
O1 C67 1.221(11) . ?
C67 N5 1.331(15) . ?
C67 H67A 0.9500 . ?
N5 C69 1.406(10) . ?
N5 C68 1.461(13) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
O2 C70 1.193(13) . ?
C70 N6 1.316(13) . ?
C70 H70A 0.9500 . ?
N6 C72 1.363(14) . ?
N6 C71 1.393(10) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
O3 C73 1.193(17) . ?
C73 N7 1.34(2) . ?
C73 H73A 0.9500 . ?
N7 C75 1.41(2) . ?
N7 C74 1.47(2) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
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
N1 Au1 Au2 P2 165.84(13) . . . . ?
P1 Au1 Au2 P2 -10.34(4) . . . . ?
N1 Au1 Au2 S1 -11.67(13) . . . . ?
P1 Au1 Au2 S1 172.14(4) . . . . ?
N1 Au1 Au2 Au2 -95.96(12) . . . 2_556 ?
P1 Au1 Au2 Au2 87.85(4) . . . 2_556 ?
P2 Au2 S1 C1 -37.1(8) . . . . ?
Au1 Au2 S1 C1 15.62(17) . . . . ?
Au2 Au2 S1 C1 173.80(17) 2_556 . . . ?
N1 Au1 P1 C9 108.3(16) . . . . ?
Au2 Au1 P1 C9 -134.06(18) . . . . ?
N1 Au1 P1 C15 -10.4(16) . . . . ?
Au2 Au1 P1 C15 107.23(17) . . . . ?
N1 Au1 P1 C8 -130.3(16) . . . . ?
Au2 Au1 P1 C8 -12.64(16) . . . . ?
S1 Au2 P2 C21 -31.7(8) . . . . ?
Au1 Au2 P2 C21 -84.42(16) . . . . ?
Au2 Au2 P2 C21 117.34(16) 2_556 . . . ?
S1 Au2 P2 C27 -152.3(8) . . . . ?
Au1 Au2 P2 C27 154.99(18) . . . . ?
Au2 Au2 P2 C27 -3.25(18) 2_556 . . . ?
S1 Au2 P2 C8 85.4(8) . . . . ?
Au1 Au2 P2 C8 32.67(16) . . . . ?
Au2 Au2 P2 C8 -125.57(15) 2_556 . . . ?
P1 Au1 N1 C1 124.7(15) . . . . ?
Au2 Au1 N1 C1 6.7(4) . . . . ?
P1 Au1 N1 C2 -47.1(18) . . . . ?
Au2 Au1 N1 C2 -165.1(4) . . . . ?
C7 N2 C1 N1 0.7(6) . . . . ?
C7 N2 C1 S1 -179.9(4) . . . . ?
C2 N1 C1 N2 -1.5(6) . . . . ?
Au1 N1 C1 N2 -174.5(3) . . . . ?
C2 N1 C1 S1 179.1(4) . . . . ?
Au1 N1 C1 S1 6.1(7) . . . . ?
Au2 S1 C1 N2 163.1(4) . . . . ?
Au2 S1 C1 N1 -17.5(5) . . . . ?
C1 N1 C2 C3 -178.6(6) . . . . ?
Au1 N1 C2 C3 -5.0(8) . . . . ?
C1 N1 C2 C7 1.6(5) . . . . ?
Au1 N1 C2 C7 175.2(3) . . . . ?
N1 C2 C3 C4 179.2(5) . . . . ?
C7 C2 C3 C4 -1.0(9) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C3 C4 C5 C6 0.2(9) . . . . ?
C4 C5 C6 C7 -1.0(8) . . . . ?
N1 C2 C7 C6 -180.0(5) . . . . ?
C3 C2 C7 C6 0.2(8) . . . . ?
N1 C2 C7 N2 -1.3(6) . . . . ?
C3 C2 C7 N2 178.9(5) . . . . ?
C5 C6 C7 C2 0.8(8) . . . . ?
C5 C6 C7 N2 -177.6(5) . . . . ?
C1 N2 C7 C2 0.4(5) . . . . ?
C1 N2 C7 C6 178.9(5) . . . . ?
C9 P1 C8 P2 164.9(3) . . . . ?
C15 P1 C8 P2 -83.6(3) . . . . ?
Au1 P1 C8 P2 38.8(3) . . . . ?
C21 P2 C8 P1 70.3(3) . . . . ?
C27 P2 C8 P1 -178.6(2) . . . . ?
Au2 P2 C8 P1 -50.5(3) . . . . ?
C15 P1 C9 C10 -86.8(5) . . . . ?
C8 P1 C9 C10 26.4(6) . . . . ?
Au1 P1 C9 C10 150.7(5) . . . . ?
C15 P1 C9 C14 88.7(5) . . . . ?
C8 P1 C9 C14 -158.1(4) . . . . ?
Au1 P1 C9 C14 -33.8(5) . . . . ?
C14 C9 C10 C11 0.4(10) . . . . ?
P1 C9 C10 C11 175.8(6) . . . . ?
C9 C10 C11 C12 -2.2(12) . . . . ?
C10 C11 C12 C13 2.8(14) . . . . ?
C11 C12 C13 C14 -1.6(13) . . . . ?
C10 C9 C14 C13 0.8(9) . . . . ?
P1 C9 C14 C13 -174.9(5) . . . . ?
C12 C13 C14 C9 -0.2(11) . . . . ?
C9 P1 C15 C20 37.9(6) . . . . ?
C8 P1 C15 C20 -74.9(5) . . . . ?
Au1 P1 C15 C20 162.5(5) . . . . ?
C9 P1 C15 C16 -141.3(4) . . . . ?
C8 P1 C15 C16 105.9(4) . . . . ?
Au1 P1 C15 C16 -16.7(5) . . . . ?
C20 C15 C16 C17 1.8(9) . . . . ?
P1 C15 C16 C17 -179.0(5) . . . . ?
C15 C16 C17 C18 -1.4(10) . . . . ?
C16 C17 C18 C19 0.6(12) . . . . ?
C17 C18 C19 C20 -0.2(13) . . . . ?
C16 C15 C20 C19 -1.4(10) . . . . ?
P1 C15 C20 C19 179.4(6) . . . . ?
C18 C19 C20 C15 0.6(12) . . . . ?
C27 P2 C21 C26 -69.3(4) . . . . ?
C8 P2 C21 C26 42.0(4) . . . . ?
Au2 P2 C21 C26 163.9(4) . . . . ?
C27 P2 C21 C22 113.2(4) . . . . ?
C8 P2 C21 C22 -135.5(4) . . . . ?
Au2 P2 C21 C22 -13.6(4) . . . . ?
C26 C21 C22 C23 0.1(7) . . . . ?
P2 C21 C22 C23 177.6(4) . . . . ?
C21 C22 C23 C24 -0.1(8) . . . . ?
C22 C23 C24 C25 0.1(9) . . . . ?
C23 C24 C25 C26 0.0(9) . . . . ?
C24 C25 C26 C21 0.0(8) . . . . ?
C22 C21 C26 C25 0.0(7) . . . . ?
P2 C21 C26 C25 -177.5(4) . . . . ?
C21 P2 C27 C28 -52.9(4) . . . . ?
C8 P2 C27 C28 -163.5(4) . . . . ?
Au2 P2 C27 C28 70.7(4) . . . . ?
C21 P2 C27 C32 130.5(4) . . . . ?
C8 P2 C27 C32 19.9(5) . . . . ?
Au2 P2 C27 C32 -105.9(4) . . . . ?
C32 C27 C28 C29 1.9(7) . . . . ?
P2 C27 C28 C29 -174.8(4) . . . . ?
C27 C28 C29 C30 -1.5(8) . . . . ?
C28 C29 C30 C31 0.3(8) . . . . ?
C29 C30 C31 C32 0.4(8) . . . . ?
C30 C31 C32 C27 -0.1(7) . . . . ?
C28 C27 C32 C31 -1.1(7) . . . . ?
P2 C27 C32 C31 175.5(4) . . . . ?
N3 Au3 Au4 P4 177.62(11) . . . . ?
P3 Au3 Au4 P4 -1.13(4) . . . . ?
N3 Au3 Au4 S2 -0.55(11) . . . . ?
P3 Au3 Au4 S2 -179.30(5) . . . . ?
N3 Au3 Au4 Au4 -81.32(11) . . . 2_656 ?
P3 Au3 Au4 Au4 99.93(3) . . . 2_656 ?
P4 Au4 S2 C33 -81.6(14) . . . . ?
Au3 Au4 S2 C33 5.29(16) . . . . ?
Au4 Au4 S2 C33 157.63(16) 2_656 . . . ?
N3 Au3 P3 C47 6(6) . . . . ?
Au4 Au3 P3 C47 98.32(17) . . . . ?
N3 Au3 P3 C41 126(6) . . . . ?
Au4 Au3 P3 C41 -141.09(18) . . . . ?
N3 Au3 P3 C40 -115(6) . . . . ?
Au4 Au3 P3 C40 -22.35(16) . . . . ?
S2 Au4 P4 C53 -5.7(15) . . . . ?
Au3 Au4 P4 C53 -92.57(18) . . . . ?
Au4 Au4 P4 C53 114.95(18) 2_656 . . . ?
S2 Au4 P4 C59 -127.5(14) . . . . ?
Au3 Au4 P4 C59 145.68(19) . . . . ?
Au4 Au4 P4 C59 -6.79(19) 2_656 . . . ?
S2 Au4 P4 C40 111.5(14) . . . . ?
Au3 Au4 P4 C40 24.66(16) . . . . ?
Au4 Au4 P4 C40 -127.82(16) 2_656 . . . ?
P3 Au3 N3 C33 86(6) . . . . ?
Au4 Au3 N3 C33 -6.9(4) . . . . ?
P3 Au3 N3 C34 -82(6) . . . . ?
Au4 Au3 N3 C34 -174.3(4) . . . . ?
C39 N4 C33 N3 -1.0(6) . . . . ?
C39 N4 C33 S2 176.7(3) . . . . ?
C34 N3 C33 N4 1.2(5) . . . . ?
Au3 N3 C33 N4 -168.3(3) . . . . ?
C34 N3 C33 S2 -176.3(3) . . . . ?
Au3 N3 C33 S2 14.1(6) . . . . ?
Au4 S2 C33 N4 170.4(3) . . . . ?
Au4 S2 C33 N3 -12.2(4) . . . . ?
C33 N3 C34 C39 -0.8(5) . . . . ?
Au3 N3 C34 C39 169.2(3) . . . . ?
C33 N3 C34 C35 174.5(5) . . . . ?
Au3 N3 C34 C35 -15.5(7) . . . . ?
N3 C34 C35 C36 -176.2(5) . . . . ?
C39 C34 C35 C36 -1.5(8) . . . . ?
C34 C35 C36 C37 -0.8(8) . . . . ?
C35 C36 C37 C38 1.0(10) . . . . ?
C36 C37 C38 C39 1.1(10) . . . . ?
N3 C34 C39 N4 0.3(6) . . . . ?
C35 C34 C39 N4 -175.5(5) . . . . ?
N3 C34 C39 C38 179.4(5) . . . . ?
C35 C34 C39 C38 3.6(8) . . . . ?
C33 N4 C39 C34 0.4(6) . . . . ?
C33 N4 C39 C38 -178.5(6) . . . . ?
C37 C38 C39 C34 -3.3(9) . . . . ?
C37 C38 C39 N4 175.6(6) . . . . ?
C47 P3 C40 P4 -77.3(3) . . . . ?
C41 P3 C40 P4 172.6(3) . . . . ?
Au3 P3 C40 P4 46.8(3) . . . . ?
C53 P4 C40 P3 73.9(3) . . . . ?
C59 P4 C40 P3 -176.8(2) . . . . ?
Au4 P4 C40 P3 -48.7(3) . . . . ?
C47 P3 C41 C46 93.2(4) . . . . ?
C40 P3 C41 C46 -154.3(4) . . . . ?
Au3 P3 C41 C46 -32.3(5) . . . . ?
C47 P3 C41 C42 -82.2(5) . . . . ?
C40 P3 C41 C42 30.3(5) . . . . ?
Au3 P3 C41 C42 152.3(4) . . . . ?
C46 C41 C42 C43 0.4(8) . . . . ?
P3 C41 C42 C43 175.7(5) . . . . ?
C41 C42 C43 C44 -0.9(9) . . . . ?
C42 C43 C44 C45 0.4(10) . . . . ?
C43 C44 C45 C46 0.6(10) . . . . ?
C42 C41 C46 C45 0.6(8) . . . . ?
P3 C41 C46 C45 -174.8(5) . . . . ?
C44 C45 C46 C41 -1.1(9) . . . . ?
C41 P3 C47 C48 -115.5(4) . . . . ?
C40 P3 C47 C48 134.2(4) . . . . ?
Au3 P3 C47 C48 11.9(4) . . . . ?
C41 P3 C47 C52 61.8(4) . . . . ?
C40 P3 C47 C52 -48.6(4) . . . . ?
Au3 P3 C47 C52 -170.9(3) . . . . ?
C52 C47 C48 C49 1.1(8) . . . . ?
P3 C47 C48 C49 178.4(4) . . . . ?
C47 C48 C49 C50 -0.5(8) . . . . ?
C48 C49 C50 C51 -0.6(8) . . . . ?
C49 C50 C51 C52 1.0(8) . . . . ?
C50 C51 C52 C47 -0.4(8) . . . . ?
C48 C47 C52 C51 -0.7(7) . . . . ?
P3 C47 C52 C51 -178.0(4) . . . . ?
C59 P4 C53 C54 151.7(5) . . . . ?
C40 P4 C53 C54 -98.6(5) . . . . ?
Au4 P4 C53 C54 23.0(5) . . . . ?
C59 P4 C53 C58 -34.6(5) . . . . ?
C40 P4 C53 C58 75.0(5) . . . . ?
Au4 P4 C53 C58 -163.4(4) . . . . ?
C58 C53 C54 C55 -1.9(9) . . . . ?
P4 C53 C54 C55 171.8(5) . . . . ?
C53 C54 C55 C56 0.7(10) . . . . ?
C54 C55 C56 C57 3.2(11) . . . . ?
C55 C56 C57 C58 -5.7(12) . . . . ?
C56 C57 C58 C53 4.4(11) . . . . ?
C54 C53 C58 C57 -0.6(9) . . . . ?
P4 C53 C58 C57 -174.3(5) . . . . ?
C53 P4 C59 C64 121.7(4) . . . . ?
C40 P4 C59 C64 12.6(5) . . . . ?
Au4 P4 C59 C64 -112.0(4) . . . . ?
C53 P4 C59 C60 -58.0(4) . . . . ?
C40 P4 C59 C60 -167.2(4) . . . . ?
Au4 P4 C59 C60 68.2(4) . . . . ?
C64 C59 C60 C61 0.9(7) . . . . ?
P4 C59 C60 C61 -179.4(4) . . . . ?
C59 C60 C61 C62 -0.3(8) . . . . ?
C60 C61 C62 C63 0.0(8) . . . . ?
C61 C62 C63 C64 -0.4(8) . . . . ?
C60 C59 C64 C63 -1.2(7) . . . . ?
P4 C59 C64 C63 179.1(4) . . . . ?
C62 C63 C64 C59 1.0(8) . . . . ?
O1 C67 N5 C69 177.0(10) . . . . ?
O1 C67 N5 C68 -2.2(17) . . . . ?
O2 C70 N6 C72 171.6(17) . . . . ?
O2 C70 N6 C71 -21(2) . . . . ?
O3 C73 N7 C75 -165(6) . . . . ?
O3 C73 N7 C74 -3(13) . . . . ?
