#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:50:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179080 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/42/4304294.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_4304294
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         'C66 H56 Au4 N4 P4 S2, 4(C H4 O), H2 O'
_chemical_formula_sum            'C70 H74 Au4 N4 O5 P4 S2'
_chemical_formula_weight         2027.20
_chemical_name_common            eisjs27
_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                 124.571(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.066(6)
_cell_length_b                   17.125(3)
_cell_length_c                   29.566(5)
_cell_measurement_reflns_used    3922
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      31.76
_cell_measurement_theta_min      2.79
_cell_volume                     14203(4)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0880
_diffrn_reflns_av_sigmaI/netI    0.0763
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            113219
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    8.437
_exptl_absorpt_correction_T_max  0.7189
_exptl_absorpt_correction_T_min  0.1318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7760
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         5.342
_refine_diff_density_min         -2.387
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         21658
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.1433
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0556P)²+270.1693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1725
_reflns_number_gt                11041
_reflns_number_total             21658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701763x-file002_6.cif
_cod_data_source_block           eisjs27
_cod_database_code               4304294
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 0.453669(14) 0.68895(2) 0.197890(18) 0.04944(13) Uani 1 1 d . . .
Au2 Au 0.355117(14) 0.64194(2) 0.14297(2) 0.05892(15) Uani 1 1 d . B .
S1 S 0.43887(11) 0.79457(16) 0.23427(17) 0.0722(11) Uani 1 1 d . . .
P1 P 0.46872(10) 0.59001(17) 0.15831(13) 0.0510(7) Uani 1 1 d D . .
P2 P 0.36337(10) 0.54131(16) 0.10029(14) 0.0578(9) Uani 1 1 d D . .
N1 N 0.3472(3) 0.7322(5) 0.1836(4) 0.055(3) Uani 1 1 d . . .
N2 N 0.3657(4) 0.8379(6) 0.2384(5) 0.069(3) Uani 1 1 d . . .
C1 C 0.3811(4) 0.7861(6) 0.2184(5) 0.062(4) Uani 1 1 d . B .
C2 C 0.3078(4) 0.7484(7) 0.1831(5) 0.056(3) Uani 1 1 d . A .
C3 C 0.2632(4) 0.7131(7) 0.1560(5) 0.061(3) Uani 1 1 d . . .
H3A H 0.2559 0.6693 0.1328 0.074 Uiso 1 1 calc R B .
C4 C 0.2294(4) 0.7429(8) 0.1637(6) 0.068(4) Uani 1 1 d D A .
H4A H 0.1985 0.7204 0.1454 0.081 Uiso 0.39(3) 1 calc PR A 5
C5 C 0.2419(5) 0.8079(9) 0.1993(6) 0.073(4) Uani 1 1 d D . .
H5A H 0.2191 0.8281 0.2051 0.088 Uiso 0.61(3) 1 calc PR A 1
C6 C 0.2863(5) 0.8424(8) 0.2258(5) 0.066(4) Uani 1 1 d . A .
H6A H 0.2939 0.8858 0.2494 0.079 Uiso 1 1 calc R . .
C7 C 0.3192(5) 0.8133(7) 0.2176(6) 0.066(4) Uani 1 1 d . A .
C8 C 0.1779(6) 0.7113(15) 0.1277(8) 0.074(8) Uani 0.61(3) 1 d PD A 1
H8A H 0.1787 0.6549 0.1227 0.110 Uiso 0.61(3) 1 calc PR A 1
H8B H 0.1608 0.7372 0.0918 0.110 Uiso 0.61(3) 1 calc PR A 1
H8C H 0.1616 0.7219 0.1457 0.110 Uiso 0.61(3) 1 calc PR A 1
C8' C 0.2060(12) 0.848(2) 0.2077(16) 0.083(13) Uani 0.39(3) 1 d PD A 5
H8D H 0.1778 0.8149 0.1928 0.124 Uiso 0.39(3) 1 calc PR A 5
H8E H 0.1965 0.8985 0.1886 0.124 Uiso 0.39(3) 1 calc PR A 5
H8F H 0.2208 0.8566 0.2470 0.124 Uiso 0.39(3) 1 calc PR A 5
C9 C 0.4254(3) 0.5096(6) 0.1374(5) 0.051(3) Uani 1 1 d . B .
H9A H 0.4286 0.4729 0.1139 0.061 Uiso 1 1 calc R . .
H9B H 0.4334 0.4808 0.1707 0.061 Uiso 1 1 calc R . .
C10 C 0.468(2) 0.621(3) 0.1001(15) 0.080(4) Uani 0.53(4) 1 d PGD B 1
C11 C 0.4902(18) 0.573(2) 0.0835(12) 0.092(6) Uani 0.53(4) 1 d PG B 1
H11 H 0.5045 0.5255 0.1023 0.110 Uiso 0.53(4) 1 calc PR B 1
C12 C 0.4918(13) 0.5948(16) 0.0393(13) 0.081(5) Uani 0.53(4) 1 d PG B 1
H12 H 0.5072 0.5620 0.0279 0.097 Uiso 0.53(4) 1 calc PR B 1
C13 C 0.4709(12) 0.6643(16) 0.0117(8) 0.080(4) Uani 0.53(4) 1 d PG B 1
H13 H 0.4720 0.6791 -0.0185 0.096 Uiso 0.53(4) 1 calc PR B 1
C14 C 0.4483(14) 0.7122(17) 0.0283(15) 0.092(6) Uani 0.53(4) 1 d PG B 1
H14 H 0.4340 0.7597 0.0095 0.110 Uiso 0.53(4) 1 calc PR B 1
C15 C 0.447(2) 0.690(3) 0.073(2) 0.081(5) Uani 0.53(4) 1 d PG B 1
H15 H 0.4313 0.7232 0.0839 0.097 Uiso 0.53(4) 1 calc PR B 1
C10' C 0.465(3) 0.622(3) 0.0986(15) 0.080(4) Uani 0.47(4) 1 d PGD B 5
C11' C 0.480(2) 0.582(2) 0.0702(14) 0.092(6) Uani 0.47(4) 1 d PG B 5
H11' H 0.4958 0.5332 0.0833 0.110 Uiso 0.47(4) 1 calc PR B 5
C12' C 0.4724(14) 0.6139(17) 0.0225(13) 0.081(5) Uani 0.47(4) 1 d PG B 5
H12' H 0.4827 0.5866 0.0030 0.097 Uiso 0.47(4) 1 calc PR B 5
C13' C 0.4494(13) 0.6854(17) 0.0032(8) 0.080(4) Uani 0.47(4) 1 d PG B 5
H13' H 0.4441 0.7071 -0.0294 0.096 Uiso 0.47(4) 1 calc PR B 5
C14' C 0.4343(17) 0.725(2) 0.0316(19) 0.092(6) Uani 0.47(4) 1 d PG B 5
H14' H 0.4186 0.7742 0.0185 0.110 Uiso 0.47(4) 1 calc PR B 5
C15' C 0.442(3) 0.694(3) 0.079(2) 0.081(5) Uani 0.47(4) 1 d PG B 5
H15' H 0.4317 0.7207 0.0988 0.097 Uiso 0.47(4) 1 calc PR B 5
C16 C 0.5264(4) 0.5429(7) 0.1996(6) 0.062(4) Uani 1 1 d . B .
C17 C 0.5671(4) 0.5865(9) 0.2130(7) 0.084(5) Uani 1 1 d . . .
H17A H 0.5637 0.6392 0.2013 0.101 Uiso 1 1 calc R B .
C18 C 0.6115(5) 0.5524(10) 0.2431(8) 0.098(6) Uani 1 1 d . B .
H18A H 0.6389 0.5817 0.2525 0.118 Uiso 1 1 calc R . .
C19 C 0.6163(5) 0.4764(9) 0.2595(7) 0.093(6) Uani 1 1 d . . .
H19A H 0.6471 0.4535 0.2797 0.111 Uiso 1 1 calc R B .
C20 C 0.5782(4) 0.4323(8) 0.2477(6) 0.079(5) Uani 1 1 d . B .
H20A H 0.5826 0.3797 0.2599 0.095 Uiso 1 1 calc R . .
C21 C 0.5327(4) 0.4654(8) 0.2175(6) 0.071(4) Uani 1 1 d . . .
H21A H 0.5059 0.4352 0.2092 0.086 Uiso 1 1 calc R B .
C22 C 0.3497(7) 0.5558(10) 0.0319(5) 0.080(5) Uani 0.629(16) 1 d PGD B 1
C23 C 0.3755(6) 0.5232(9) 0.0134(5) 0.086(6) Uani 0.629(16) 1 d PG B 1
H23 H 0.4004 0.4871 0.0359 0.104 Uiso 0.629(16) 1 calc PR B 1
C24 C 0.3649(6) 0.5433(9) -0.0379(6) 0.083(6) Uani 0.629(16) 1 d PG B 1
H24 H 0.3825 0.5210 -0.0506 0.099 Uiso 0.629(16) 1 calc PR B 1
C25 C 0.3284(6) 0.5960(8) -0.0708(4) 0.080(5) Uani 0.629(16) 1 d PG B 1
H25 H 0.3212 0.6097 -0.1059 0.095 Uiso 0.629(16) 1 calc PR B 1
C26 C 0.3026(5) 0.6286(8) -0.0523(5) 0.086(6) Uani 0.629(16) 1 d PG B 1
H26 H 0.2777 0.6647 -0.0747 0.104 Uiso 0.629(16) 1 calc PR B 1
C27 C 0.3132(6) 0.6085(9) -0.0009(6) 0.083(6) Uani 0.629(16) 1 d PG B 1
H27 H 0.2956 0.6308 0.0117 0.099 Uiso 0.629(16) 1 calc PR B 1
C22' C 0.3382(11) 0.5764(18) 0.0313(6) 0.080(5) Uani 0.371(16) 1 d PGD B 5
C23' C 0.3593(8) 0.5523(16) 0.0049(9) 0.086(6) Uani 0.371(16) 1 d PG B 5
H23' H 0.3881 0.5230 0.0245 0.104 Uiso 0.371(16) 1 calc PR B 5
C24' C 0.3384(10) 0.5711(15) -0.0499(10) 0.083(6) Uani 0.371(16) 1 d PG B 5
H24' H 0.3529 0.5546 -0.0679 0.099 Uiso 0.371(16) 1 calc PR B 5
C25' C 0.2964(11) 0.6139(14) -0.0785(5) 0.080(5) Uani 0.371(16) 1 d PG B 5
H25' H 0.2821 0.6268 -0.1160 0.095 Uiso 0.371(16) 1 calc PR B 5
C26' C 0.2752(9) 0.6380(14) -0.0522(8) 0.086(6) Uani 0.371(16) 1 d PG B 5
H26' H 0.2464 0.6673 -0.0717 0.104 Uiso 0.371(16) 1 calc PR B 5
C27' C 0.2961(11) 0.6192(17) 0.0027(9) 0.083(6) Uani 0.371(16) 1 d PG B 5
H27' H 0.2816 0.6357 0.0207 0.099 Uiso 0.371(16) 1 calc PR B 5
C28 C 0.3292(4) 0.4554(6) 0.0941(5) 0.056(3) Uani 1 1 d . B .
C29 C 0.2906(5) 0.4658(7) 0.0970(8) 0.096(6) Uani 1 1 d . . .
H29A H 0.2835 0.5160 0.1042 0.116 Uiso 1 1 calc R B .
C30 C 0.2622(4) 0.4023(8) 0.0892(7) 0.082(5) Uani 1 1 d . B .
H30A H 0.2350 0.4096 0.0900 0.099 Uiso 1 1 calc R . .
C31 C 0.2728(4) 0.3304(7) 0.0807(6) 0.065(4) Uani 1 1 d . . .
H31A H 0.2543 0.2868 0.0780 0.078 Uiso 1 1 calc R B .
C32 C 0.3104(5) 0.3203(6) 0.0760(7) 0.076(4) Uani 1 1 d . B .
H32A H 0.3160 0.2703 0.0668 0.092 Uiso 1 1 calc R . .
C33 C 0.3402(4) 0.3821(7) 0.0844(6) 0.063(4) Uani 1 1 d . . .
H33A H 0.3673 0.3743 0.0835 0.076 Uiso 1 1 calc R B .
Au3 Au 0.449596(14) 0.18735(2) 0.203091(19) 0.04821(12) Uani 1 1 d . . .
Au4 Au 0.380034(14) 0.13866(2) 0.090837(18) 0.04552(12) Uani 1 1 d . D .
S2 S 0.46849(12) 0.29268(16) 0.17045(16) 0.0692(10) Uani 1 1 d . . .
P3 P 0.42642(10) 0.08995(15) 0.23516(12) 0.0441(7) Uani 1 1 d . . .
P4 P 0.35415(9) 0.03812(14) 0.11591(11) 0.0393(6) Uani 1 1 d D . .
N3 N 0.4042(3) 0.2286(5) 0.0666(5) 0.055(3) Uani 1 1 d . . .
N4 N 0.4469(4) 0.3352(6) 0.0734(5) 0.075(4) Uani 1 1 d . . .
C34 C 0.4384(4) 0.2843(7) 0.0994(6) 0.061(3) Uani 1 1 d . D .
C35 C 0.3918(4) 0.2445(7) 0.0147(6) 0.062(3) Uani 1 1 d . C .
C36 C 0.3612(5) 0.2068(8) -0.0337(6) 0.068(4) Uani 1 1 d . . .
H36A H 0.3438 0.1619 -0.0360 0.081 Uiso 1 1 calc R D .
C37 C 0.3574(5) 0.2381(10) -0.0790(6) 0.078(4) Uani 1 1 d D C .
H37A H 0.3356 0.2140 -0.1135 0.094 Uiso 0.45(3) 1 calc PR C 5
C38 C 0.3823(6) 0.3009(11) -0.0782(8) 0.092(6) Uani 1 1 d D . .
H38A H 0.3789 0.3187 -0.1106 0.111 Uiso 0.55(3) 1 calc PR C 1
C39 C 0.4125(6) 0.3375(10) -0.0287(9) 0.093(6) Uani 1 1 d . C .
H39A H 0.4300 0.3819 -0.0270 0.111 Uiso 1 1 calc R . .
C40 C 0.4180(5) 0.3112(8) 0.0190(8) 0.077(5) Uani 1 1 d . C .
C41 C 0.3226(9) 0.2006(15) -0.1357(9) 0.081(10) Uani 0.55(3) 1 d PD C 1
H41A H 0.3101 0.1519 -0.1312 0.121 Uiso 0.55(3) 1 calc PR C 1
H41B H 0.3395 0.1895 -0.1530 0.121 Uiso 0.55(3) 1 calc PR C 1
H41C H 0.2962 0.2366 -0.1589 0.121 Uiso 0.55(3) 1 calc PR C 1
C41' C 0.3690(16) 0.317(2) -0.1366(12) 0.115(18) Uani 0.45(3) 1 d PD C 5
H41D H 0.3377 0.3424 -0.1583 0.172 Uiso 0.45(3) 1 calc PR C 5
H41E H 0.3681 0.2680 -0.1540 0.172 Uiso 0.45(3) 1 calc PR C 5
H41F H 0.3929 0.3519 -0.1344 0.172 Uiso 0.45(3) 1 calc PR C 5
C42 C 0.3998(3) 0.0077(5) 0.1862(4) 0.040(2) Uani 1 1 d . D .
H42A H 0.4254 -0.0202 0.1864 0.048 Uiso 1 1 calc R . .
H42B H 0.3855 -0.0293 0.1986 0.048 Uiso 1 1 calc R . .
C43 C 0.4716(4) 0.0462(6) 0.3004(5) 0.047(3) Uani 1 1 d . . .
C44 C 0.4908(5) 0.0922(7) 0.3476(5) 0.063(3) Uani 1 1 d . . .
H44A H 0.4807 0.1448 0.3446 0.075 Uiso 1 1 calc R . .
C45 C 0.5246(5) 0.0609(8) 0.3986(5) 0.064(4) Uani 1 1 d . . .
H45A H 0.5367 0.0919 0.4306 0.077 Uiso 1 1 calc R . .
C46 C 0.5411(4) -0.0148(9) 0.4039(5) 0.064(4) Uani 1 1 d . . .
H46A H 0.5649 -0.0351 0.4391 0.077 Uiso 1 1 calc R . .
C47 C 0.5225(4) -0.0602(7) 0.3573(5) 0.060(3) Uani 1 1 d . . .
H47A H 0.5333 -0.1123 0.3603 0.072 Uiso 1 1 calc R . .
C48 C 0.4881(4) -0.0296(6) 0.3064(5) 0.050(3) Uani 1 1 d . . .
H48A H 0.4755 -0.0614 0.2747 0.061 Uiso 1 1 calc R . .
C49 C 0.3809(4) 0.1246(7) 0.2442(5) 0.056(3) Uani 1 1 d . . .
C50 C 0.3714(5) 0.0842(8) 0.2772(6) 0.068(4) Uani 1 1 d . . .
H50A H 0.3903 0.0404 0.2978 0.081 Uiso 1 1 calc R . .
C51 C 0.3340(6) 0.1084(10) 0.2800(7) 0.085(5) Uani 1 1 d . . .
H51A H 0.3279 0.0823 0.3038 0.102 Uiso 1 1 calc R . .
C52 C 0.3055(5) 0.1707(10) 0.2483(6) 0.079(4) Uani 1 1 d . . .
H52A H 0.2790 0.1854 0.2490 0.095 Uiso 1 1 calc R . .
C53 C 0.3156(5) 0.2116(9) 0.2153(6) 0.073(4) Uani 1 1 d . . .
H53A H 0.2964 0.2549 0.1942 0.088 Uiso 1 1 calc R . .
C54 C 0.3534(4) 0.1893(7) 0.2134(5) 0.055(3) Uani 1 1 d . . .
H54A H 0.3608 0.2175 0.1915 0.066 Uiso 1 1 calc R . .
C55 C 0.3000(4) 0.0566(6) 0.1118(5) 0.050(3) Uani 1 1 d . D .
C56 C 0.2911(4) 0.0204(8) 0.1475(6) 0.066(4) Uani 1 1 d . . .
H56A H 0.3131 -0.0164 0.1738 0.079 Uiso 1 1 calc R D .
C57 C 0.2501(5) 0.0386(9) 0.1440(8) 0.081(5) Uani 1 1 d . D .
H57A H 0.2444 0.0155 0.1690 0.097 Uiso 1 1 calc R . .
C58 C 0.2176(5) 0.0891(10) 0.1054(8) 0.093(6) Uani 1 1 d . . .
H58A H 0.1895 0.1006 0.1035 0.112 Uiso 1 1 calc R D .
C59 C 0.2250(5) 0.1236(8) 0.0692(7) 0.082(5) Uani 1 1 d . D .
H59A H 0.2015 0.1573 0.0415 0.099 Uiso 1 1 calc R . .
C60 C 0.2670(4) 0.1094(7) 0.0729(6) 0.067(4) Uani 1 1 d . . .
H60A H 0.2731 0.1354 0.0490 0.080 Uiso 1 1 calc R D .
C61 C 0.3425(9) -0.0462(7) 0.0725(7) 0.044(3) Uani 0.551(19) 1 d PGD D 1
C62 C 0.3469(7) -0.1218(9) 0.0919(5) 0.061(3) Uani 0.551(19) 1 d PG D 1
H62 H 0.3562 -0.1303 0.1284 0.073 Uiso 0.551(19) 1 calc PR D 1
C63 C 0.3378(8) -0.1851(6) 0.0577(6) 0.053(3) Uani 0.551(19) 1 d PG D 1
H63 H 0.3408 -0.2368 0.0710 0.063 Uiso 0.551(19) 1 calc PR D 1
C64 C 0.3242(6) -0.1727(6) 0.0042(5) 0.044(3) Uani 0.551(19) 1 d PG D 1
H64 H 0.3179 -0.2159 -0.0191 0.053 Uiso 0.551(19) 1 calc PR D 1
C65 C 0.3198(9) -0.0970(8) -0.0152(5) 0.061(3) Uani 0.551(19) 1 d PG D 1
H65 H 0.3105 -0.0886 -0.0517 0.073 Uiso 0.551(19) 1 calc PR D 1
C66 C 0.3290(11) -0.0338(5) 0.0190(8) 0.053(3) Uani 0.551(19) 1 d PG D 1
H66 H 0.3260 0.0179 0.0057 0.063 Uiso 0.551(19) 1 calc PR D 1
C61' C 0.3381(11) -0.0498(9) 0.0741(9) 0.044(3) Uani 0.449(19) 1 d PGD D 5
C62' C 0.3243(9) -0.1194(12) 0.0853(6) 0.061(3) Uani 0.449(19) 1 d PG D 5
H62' H 0.3264 -0.1252 0.1186 0.073 Uiso 0.449(19) 1 calc PR D 5
C63' C 0.3075(9) -0.1807(9) 0.0479(7) 0.053(3) Uani 0.449(19) 1 d PG D 5
H63' H 0.2980 -0.2283 0.0556 0.063 Uiso 0.449(19) 1 calc PR D 5
C64' C 0.3044(8) -0.1722(8) -0.0007(6) 0.044(3) Uani 0.449(19) 1 d PG D 5
H64' H 0.2929 -0.2141 -0.0263 0.053 Uiso 0.449(19) 1 calc PR D 5
C65' C 0.3183(11) -0.1026(10) -0.0119(7) 0.061(3) Uani 0.449(19) 1 d PG D 5
H65' H 0.3162 -0.0968 -0.0452 0.073 Uiso 0.449(19) 1 calc PR D 5
C66' C 0.3351(13) -0.0414(8) 0.0255(10) 0.053(3) Uani 0.449(19) 1 d PG D 5
H66' H 0.3446 0.0062 0.0178 0.063 Uiso 0.449(19) 1 calc PR D 5
O1 O 0.4137(3) 0.8945(6) 0.3440(4) 0.082(3) Uani 1 1 d . . .
H1O H 0.3993 0.8804 0.3111 0.098 Uiso 1 1 calc R . .
C67 C 0.4456(7) 0.8350(12) 0.3785(8) 0.111(7) Uani 1 1 d . . .
H67A H 0.4370 0.8170 0.4033 0.166 Uiso 1 1 calc R . .
H67B H 0.4782 0.8557 0.4001 0.166 Uiso 1 1 calc R . .
H67C H 0.4436 0.7912 0.3560 0.166 Uiso 1 1 calc R . .
O2 O 0.3773(5) 0.9808(8) 0.3873(6) 0.118(4) Uani 1 1 d . . .
H2O H 0.3822 0.9787 0.3624 0.141 Uiso 1 1 calc R . .
C68 C 0.4155(12) 1.021(2) 0.4333(10) 0.27(2) Uani 1 1 d . . .
H68A H 0.4399 1.0330 0.4267 0.404 Uiso 1 1 calc R . .
H68B H 0.4294 0.9872 0.4659 0.404 Uiso 1 1 calc R . .
H68C H 0.4037 1.0689 0.4393 0.404 Uiso 1 1 calc R . .
O3 O 0.2913(6) 1.0114(9) 0.3681(7) 0.144(6) Uani 1 1 d . . .
H3O H 0.3171 1.0009 0.3721 0.173 Uiso 1 1 calc R . .
C69 C 0.2524(8) 1.0000(14) 0.3115(11) 0.142(10) Uani 1 1 d . . .
H69A H 0.2262 1.0355 0.3021 0.213 Uiso 1 1 calc R . .
H69B H 0.2412 0.9459 0.3061 0.213 Uiso 1 1 calc R . .
H69C H 0.2633 1.0108 0.2877 0.213 Uiso 1 1 calc R . .
O4 O 0.5398(4) 0.3723(7) 0.1111(5) 0.102(4) Uani 1 1 d . . .
H4O H 0.5108 0.3660 0.0983 0.123 Uiso 1 1 calc R . .
C70 C 0.5667(7) 0.3007(13) 0.1409(10) 0.130(8) Uani 1 1 d . . .
H70A H 0.5509 0.2550 0.1174 0.195 Uiso 1 1 calc R . .
H70B H 0.5675 0.2953 0.1745 0.195 Uiso 1 1 calc R . .
H70C H 0.5993 0.3045 0.1506 0.195 Uiso 1 1 calc R . .
O5 O 0.5982(9) 0.4848(12) 0.1112(12) 0.270(14) Uani 1 1 d . . .
H5OA H 0.5856 0.4418 0.1110 0.324 Uiso 1 1 d R . .
H5OB H 0.6226 0.4937 0.1434 0.324 Uiso 1 1 d R . .
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
P1 Au1 S1 176.26(14) . . ?
P1 Au1 Au2 91.86(7) . . ?
S1 Au1 Au2 89.36(8) . . ?
P1 Au1 Au1 96.85(8) . 2_655 ?
S1 Au1 Au1 84.17(8) . 2_655 ?
Au2 Au1 Au1 144.36(3) . 2_655 ?
N1 Au2 P2 178.3(3) . . ?
N1 Au2 Au1 87.6(3) . . ?
P2 Au2 Au1 93.07(8) . . ?
C1 S1 Au1 108.7(4) . . ?
C10 P1 C16 102(2) . . ?
C10 P1 C9 108.9(16) . . ?
C10' P1 C9 107.6(17) . . ?
C16 P1 C9 104.4(5) . . ?
C10 P1 Au1 113(2) . . ?
C10' P1 Au1 112(2) . . ?
C16 P1 Au1 117.4(4) . . ?
C9 P1 Au1 110.8(4) . . ?
C22' P2 C28 106.7(12) . . ?
C22 P2 C28 104.6(7) . . ?
C22' P2 C9 115.1(12) . . ?
C22 P2 C9 100.9(8) . . ?
C28 P2 C9 106.0(5) . . ?
C22' P2 Au2 104.4(10) . . ?
C22 P2 Au2 119.1(6) . . ?
C28 P2 Au2 113.6(5) . . ?
C9 P2 Au2 111.2(4) . . ?
C2 N1 C1 105.9(10) . . ?
C2 N1 Au2 126.8(8) . . ?
C1 N1 Au2 127.3(9) . . ?
C1 N2 C7 103.8(10) . . ?
N2 C1 N1 113.9(11) . . ?
N2 C1 S1 119.5(9) . . ?
N1 C1 S1 126.5(10) . . ?
N1 C2 C3 131.7(12) . . ?
N1 C2 C7 106.8(10) . . ?
C3 C2 C7 121.5(13) . . ?
C4 C3 C2 118.7(13) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 118.8(12) . . ?
C3 C4 C8 118.7(16) . . ?
C5 C4 C8 122.1(16) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
C6 C5 C4 121.7(13) . . ?
C6 C5 C8' 116(2) . . ?
C4 C5 C8' 123(2) . . ?
C6 C5 H5A 119.2 . . ?
C4 C5 H5A 119.2 . . ?
C7 C6 C5 119.3(13) . . ?
C7 C6 H6A 120.4 . . ?
C5 C6 H6A 120.4 . . ?
C6 C7 N2 130.6(12) . . ?
C6 C7 C2 120.0(12) . . ?
N2 C7 C2 109.5(12) . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
C5 C8' H8D 109.5 . . ?
C5 C8' H8E 109.5 . . ?
C5 C8' H8F 109.5 . . ?
P2 C9 P1 114.3(6) . . ?
P2 C9 H9A 108.7 . . ?
P1 C9 H9A 108.7 . . ?
P2 C9 H9B 108.7 . . ?
P1 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C15 120.0 . . ?
C11 C10 P1 117(4) . . ?
C15 C10 P1 123(4) . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15 120.0 . . ?
C10 C15 H15 120.0 . . ?
C11' C10' C15' 120.0 . . ?
C11' C10' P1 127(4) . . ?
C15' C10' P1 113(4) . . ?
C10' C11' C12' 120.0 . . ?
C10' C11' H11' 120.0 . . ?
C12' C11' H11' 120.0 . . ?
C13' C12' C11' 120.0 . . ?
C13' C12' H12' 120.0 . . ?
C11' C12' H12' 120.0 . . ?
C12' C13' C14' 120.0 . . ?
C12' C13' H13' 120.0 . . ?
C14' C13' H13' 120.0 . . ?
C13' C14' C15' 120.0 . . ?
C13' C14' H14' 120.0 . . ?
C15' C14' H14' 120.0 . . ?
C14' C15' C10' 120.0 . . ?
C14' C15' H15' 120.0 . . ?
C10' C15' H15' 120.0 . . ?
C21 C16 C17 118.7(12) . . ?
C21 C16 P1 123.4(9) . . ?
C17 C16 P1 117.9(10) . . ?
C18 C17 C16 119.9(15) . . ?
C18 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
C19 C18 C17 120.0(14) . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C20 C19 C18 122.1(14) . . ?
C20 C19 H19A 118.9 . . ?
C18 C19 H19A 118.9 . . ?
C19 C20 C21 119.3(15) . . ?
C19 C20 H20A 120.4 . . ?
C21 C20 H20A 120.4 . . ?
C20 C21 C16 120.0(13) . . ?
C20 C21 H21A 120.0 . . ?
C16 C21 H21A 120.0 . . ?
C23 C22 C27 120.0 . . ?
C23 C22 P2 124.3(10) . . ?
C27 C22 P2 115.5(10) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C22 120.0 . . ?
C26 C27 H27 120.0 . . ?
C22 C27 H27 120.0 . . ?
C23' C22' C27' 120.0 . . ?
C23' C22' P2 117.9(18) . . ?
C27' C22' P2 121.7(18) . . ?
C22' C23' C24' 120.0 . . ?
C22' C23' H23' 120.0 . . ?
C24' C23' H23' 120.0 . . ?
C23' C24' C25' 120.0 . . ?
C23' C24' H24' 120.0 . . ?
C25' C24' H24' 120.0 . . ?
C26' C25' C24' 120.0 . . ?
C26' C25' H25' 120.0 . . ?
C24' C25' H25' 120.0 . . ?
C25' C26' C27' 120.0 . . ?
C25' C26' H26' 120.0 . . ?
C27' C26' H26' 120.0 . . ?
C26' C27' C22' 120.0 . . ?
C26' C27' H27' 120.0 . . ?
C22' C27' H27' 120.0 . . ?
C29 C28 C33 120.6(11) . . ?
C29 C28 P2 117.9(9) . . ?
C33 C28 P2 121.4(10) . . ?
C28 C29 C30 119.4(12) . . ?
C28 C29 H29A 120.3 . . ?
C30 C29 H29A 120.3 . . ?
C31 C30 C29 120.9(13) . . ?
C31 C30 H30A 119.5 . . ?
C29 C30 H30A 119.5 . . ?
C30 C31 C32 119.8(12) . . ?
C30 C31 H31A 120.1 . . ?
C32 C31 H31A 120.1 . . ?
C31 C32 C33 121.0(11) . . ?
C31 C32 H32A 119.5 . . ?
C33 C32 H32A 119.5 . . ?
C28 C33 C32 118.2(12) . . ?
C28 C33 H33A 120.9 . . ?
C32 C33 H33A 120.9 . . ?
P3 Au3 S2 175.23(12) . . ?
P3 Au3 Au4 90.85(7) . . ?
S2 Au3 Au4 89.24(9) . . ?
P3 Au3 Au3 95.89(7) . 2_655 ?
S2 Au3 Au3 86.61(9) . 2_655 ?
Au4 Au3 Au3 146.83(3) . 2_655 ?
N3 Au4 P4 178.3(3) . . ?
N3 Au4 Au3 87.4(3) . . ?
P4 Au4 Au3 93.53(7) . . ?
C34 S2 Au3 109.1(4) . . ?
C43 P3 C49 105.0(6) . . ?
C43 P3 C42 105.2(5) . . ?
C49 P3 C42 106.5(5) . . ?
C43 P3 Au3 117.5(4) . . ?
C49 P3 Au3 110.4(4) . . ?
C42 P3 Au3 111.4(4) . . ?
C55 P4 C61 106.7(9) . . ?
C55 P4 C61' 101.4(11) . . ?
C55 P4 C42 107.7(6) . . ?
C61 P4 C42 106.3(7) . . ?
C61' P4 C42 105.6(9) . . ?
C55 P4 Au4 114.9(4) . . ?
C61 P4 Au4 110.1(7) . . ?
C61' P4 Au4 115.6(9) . . ?
C42 P4 Au4 110.7(3) . . ?
C35 N3 C34 104.6(10) . . ?
C35 N3 Au4 127.6(9) . . ?
C34 N3 Au4 127.8(9) . . ?
C34 N4 C40 103.7(12) . . ?
N4 C34 N3 115.3(13) . . ?
N4 C34 S2 118.7(11) . . ?
N3 C34 S2 126.0(9) . . ?
C36 C35 N3 130.5(13) . . ?
C36 C35 C40 123.1(14) . . ?
N3 C35 C40 106.4(13) . . ?
C35 C36 C37 115.5(14) . . ?
C35 C36 H36A 122.2 . . ?
C37 C36 H36A 122.2 . . ?
C38 C37 C36 125.0(16) . . ?
C38 C37 C41 115.9(17) . . ?
C36 C37 C41 119.1(18) . . ?
C38 C37 H37A 117.5 . . ?
C36 C37 H37A 117.5 . . ?
C37 C38 C39 117.6(15) . . ?
C37 C38 C41' 110(2) . . ?
C39 C38 C41' 133(2) . . ?
C37 C38 H38A 121.2 . . ?
C39 C38 H38A 121.2 . . ?
C38 C39 C40 121.4(16) . . ?
C38 C39 H39A 119.3 . . ?
C40 C39 H39A 119.3 . . ?
C39 C40 N4 132.8(15) . . ?
C39 C40 C35 117.3(17) . . ?
N4 C40 C35 109.9(13) . . ?
C37 C41 H41A 109.5 . . ?
C37 C41 H41B 109.5 . . ?
C37 C41 H41C 109.5 . . ?
C38 C41' H41D 109.5 . . ?
C38 C41' H41E 109.5 . . ?
C38 C41' H41F 109.5 . . ?
P4 C42 P3 113.4(5) . . ?
P4 C42 H42A 108.9 . . ?
P3 C42 H42A 108.9 . . ?
P4 C42 H42B 108.9 . . ?
P3 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C48 C43 C44 118.3(11) . . ?
C48 C43 P3 124.1(9) . . ?
C44 C43 P3 117.6(9) . . ?
C45 C44 C43 119.8(12) . . ?
C45 C44 H44A 120.1 . . ?
C43 C44 H44A 120.1 . . ?
C44 C45 C46 121.3(12) . . ?
C44 C45 H45A 119.4 . . ?
C46 C45 H45A 119.4 . . ?
C47 C46 C45 119.1(12) . . ?
C47 C46 H46A 120.5 . . ?
C45 C46 H46A 120.5 . . ?
C48 C47 C46 119.8(12) . . ?
C48 C47 H47A 120.1 . . ?
C46 C47 H47A 120.1 . . ?
C47 C48 C43 121.7(11) . . ?
C47 C48 H48A 119.2 . . ?
C43 C48 H48A 119.2 . . ?
C50 C49 C54 121.0(12) . . ?
C50 C49 P3 120.3(10) . . ?
C54 C49 P3 118.5(10) . . ?
C49 C50 C51 119.1(14) . . ?
C49 C50 H50A 120.4 . . ?
C51 C50 H50A 120.4 . . ?
C50 C51 C52 120.2(15) . . ?
C50 C51 H51A 119.9 . . ?
C52 C51 H51A 119.9 . . ?
C51 C52 C53 120.4(14) . . ?
C51 C52 H52A 119.8 . . ?
C53 C52 H52A 119.8 . . ?
C54 C53 C52 119.8(14) . . ?
C54 C53 H53A 120.1 . . ?
C52 C53 H53A 120.1 . . ?
C53 C54 C49 119.5(13) . . ?
C53 C54 H54A 120.2 . . ?
C49 C54 H54A 120.2 . . ?
C60 C55 C56 119.7(12) . . ?
C60 C55 P4 118.9(11) . . ?
C56 C55 P4 121.4(9) . . ?
C57 C56 C55 119.2(14) . . ?
C57 C56 H56A 120.4 . . ?
C55 C56 H56A 120.4 . . ?
C58 C57 C56 120.9(17) . . ?
C58 C57 H57A 119.5 . . ?
C56 C57 H57A 119.5 . . ?
C57 C58 C59 120.8(14) . . ?
C57 C58 H58A 119.6 . . ?
C59 C58 H58A 119.6 . . ?
C58 C59 C60 120.1(15) . . ?
C58 C59 H59A 120.0 . . ?
C60 C59 H59A 120.0 . . ?
C55 C60 C59 119.2(15) . . ?
C55 C60 H60A 120.4 . . ?
C59 C60 H60A 120.4 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 P4 121.3(11) . . ?
C66 C61 P4 118.7(11) . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
C62' C61' C66' 120.0 . . ?
C62' C61' P4 123.9(14) . . ?
C66' C61' P4 115.7(13) . . ?
C61' C62' C63' 120.0 . . ?
C61' C62' H62' 120.0 . . ?
C63' C62' H62' 120.0 . . ?
C62' C63' C64' 120.0 . . ?
C62' C63' H63' 120.0 . . ?
C64' C63' H63' 120.0 . . ?
C65' C64' C63' 120.0 . . ?
C65' C64' H64' 120.0 . . ?
C63' C64' H64' 120.0 . . ?
C64' C65' C66' 120.0 . . ?
C64' C65' H65' 120.0 . . ?
C66' C65' H65' 120.0 . . ?
C65' C66' C61' 120.0 . . ?
C65' C66' H66' 120.0 . . ?
C61' C66' H66' 120.0 . . ?
C67 O1 H1O 109.5 . . ?
O1 C67 H67A 109.5 . . ?
O1 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O1 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C68 O2 H2O 109.5 . . ?
O2 C68 H68A 109.5 . . ?
O2 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
O2 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C69 O3 H3O 109.5 . . ?
O3 C69 H69A 109.5 . . ?
O3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
O3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 O4 H4O 109.5 . . ?
O4 C70 H70A 109.5 . . ?
O4 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
O4 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
H5OA O5 H5OB 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 P1 2.277(3) . ?
Au1 S1 2.302(3) . ?
Au1 Au2 2.8930(7) . ?
Au1 Au1 2.9019(8) 2_655 ?
Au2 N1 2.066(10) . ?
Au2 P2 2.246(3) . ?
S1 C1 1.750(13) . ?
P1 C10 1.781(9) . ?
P1 C10' 1.782(9) . ?
P1 C16 1.812(12) . ?
P1 C9 1.850(10) . ?
P2 C22' 1.810(10) . ?
P2 C22 1.815(10) . ?
P2 C28 1.819(11) . ?
P2 C9 1.824(11) . ?
N1 C2 1.366(15) . ?
N1 C1 1.376(14) . ?
N2 C1 1.329(16) . ?
N2 C7 1.401(16) . ?
C2 C3 1.392(16) . ?
C2 C7 1.406(17) . ?
C3 C4 1.389(19) . ?
C3 H3A 0.9500 . ?
C4 C5 1.42(2) . ?
C4 C8 1.543(15) . ?
C4 H4A 0.9500 . ?
C5 C6 1.381(19) . ?
C5 C8' 1.542(16) . ?
C5 H5A 0.9500 . ?
C6 C7 1.366(19) . ?
C6 H6A 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8' H8D 0.9800 . ?
C8' H8E 0.9800 . ?
C8' H8F 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 C13 1.3900 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 H13 0.9500 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C10' C11' 1.3900 . ?
C10' C15' 1.3900 . ?
C11' C12' 1.3900 . ?
C11' H11' 0.9500 . ?
C12' C13' 1.3900 . ?
C12' H12' 0.9500 . ?
C13' C14' 1.3900 . ?
C13' H13' 0.9500 . ?
C14' C15' 1.3900 . ?
C14' H14' 0.9500 . ?
C15' H15' 0.9500 . ?
C16 C21 1.401(18) . ?
C16 C17 1.418(17) . ?
C17 C18 1.38(2) . ?
C17 H17A 0.9500 . ?
C18 C19 1.37(2) . ?
C18 H18A 0.9500 . ?
C19 C20 1.36(2) . ?
C19 H19A 0.9500 . ?
C20 C21 1.397(17) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C22' C23' 1.3900 . ?
C22' C27' 1.3900 . ?
C23' C24' 1.3900 . ?
C23' H23' 0.9500 . ?
C24' C25' 1.3900 . ?
C24' H24' 0.9500 . ?
C25' C26' 1.3900 . ?
C25' H25' 0.9500 . ?
C26' C27' 1.3900 . ?
C26' H26' 0.9500 . ?
C27' H27' 0.9500 . ?
C28 C29 1.376(19) . ?
C28 C33 1.386(16) . ?
C29 C30 1.386(18) . ?
C29 H29A 0.9500 . ?
C30 C31 1.345(17) . ?
C30 H30A 0.9500 . ?
C31 C32 1.376(18) . ?
C31 H31A 0.9500 . ?
C32 C33 1.387(16) . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
Au3 P3 2.270(3) . ?
Au3 S2 2.303(3) . ?
Au3 Au4 2.8984(7) . ?
Au3 Au3 2.9457(9) 2_655 ?
Au4 N3 2.058(9) . ?
Au4 P4 2.244(3) . ?
S2 C34 1.743(15) . ?
P3 C43 1.811(11) . ?
P3 C49 1.814(12) . ?
P3 C42 1.847(10) . ?
P4 C55 1.807(11) . ?
P4 C61 1.820(6) . ?
P4 C61' 1.824(6) . ?
P4 C42 1.827(10) . ?
N3 C35 1.366(16) . ?
N3 C34 1.387(15) . ?
N4 C34 1.301(15) . ?
N4 C40 1.39(2) . ?
C35 C36 1.363(19) . ?
C35 C40 1.411(18) . ?
C36 C37 1.380(19) . ?
C36 H36A 0.9500 . ?
C37 C38 1.36(2) . ?
C37 C41 1.539(16) . ?
C37 H37A 0.9500 . ?
C38 C39 1.37(2) . ?
C38 C41' 1.542(16) . ?
C38 H38A 0.9500 . ?
C39 C40 1.39(2) . ?
C39 H39A 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41' H41D 0.9800 . ?
C41' H41E 0.9800 . ?
C41' H41F 0.9800 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C48 1.387(15) . ?
C43 C44 1.399(16) . ?
C44 C45 1.385(17) . ?
C44 H44A 0.9500 . ?
C45 C46 1.385(19) . ?
C45 H45A 0.9500 . ?
C46 C47 1.384(18) . ?
C46 H46A 0.9500 . ?
C47 C48 1.384(16) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C50 1.378(18) . ?
C49 C54 1.403(16) . ?
C50 C51 1.386(19) . ?
C50 H50A 0.9500 . ?
C51 C52 1.39(2) . ?
C51 H51A 0.9500 . ?
C52 C53 1.39(2) . ?
C52 H52A 0.9500 . ?
C53 C54 1.372(17) . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9500 . ?
C55 C60 1.392(16) . ?
C55 C56 1.396(18) . ?
C56 C57 1.380(18) . ?
C56 H56A 0.9500 . ?
C57 C58 1.36(2) . ?
C57 H57A 0.9500 . ?
C58 C59 1.36(2) . ?
C58 H58A 0.9500 . ?
C59 C60 1.395(19) . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9500 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C63 1.3900 . ?
C62 H62 0.9500 . ?
C63 C64 1.3900 . ?
C63 H63 0.9500 . ?
C64 C65 1.3900 . ?
C64 H64 0.9500 . ?
C65 C66 1.3900 . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C61' C62' 1.3900 . ?
C61' C66' 1.3900 . ?
C62' C63' 1.3900 . ?
C62' H62' 0.9500 . ?
C63' C64' 1.3900 . ?
C63' H63' 0.9500 . ?
C64' C65' 1.3900 . ?
C64' H64' 0.9500 . ?
C65' C66' 1.3900 . ?
C65' H65' 0.9500 . ?
C66' H66' 0.9500 . ?
O1 C67 1.414(19) . ?
O1 H1O 0.8400 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
O2 C68 1.41(3) . ?
O2 H2O 0.8400 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
O3 C69 1.44(3) . ?
O3 H3O 0.8400 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
O4 C70 1.48(2) . ?
O4 H4O 0.8400 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
O5 H5OA 0.8501 . ?
O5 H5OB 0.8500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1O N2 0.84 1.92 2.752(16) 174.1 .
O2 H2O O1 0.84 2.05 2.675(16) 131.0 .
O3 H3O O2 0.84 1.87 2.703(19) 174.9 .
O4 H4O N4 0.84 1.93 2.767(15) 171.0 .
O5 H5OA O4 0.85 1.97 2.77(2) 157.2 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Au1 Au2 N1 178.4(3) . . . . ?
S1 Au1 Au2 N1 -5.1(3) . . . . ?
Au1 Au1 Au2 N1 74.0(3) 2_655 . . . ?
P1 Au1 Au2 P2 -0.01(12) . . . . ?
S1 Au1 Au2 P2 176.45(14) . . . . ?
Au1 Au1 Au2 P2 -104.49(9) 2_655 . . . ?
P1 Au1 S1 C1 116.2(16) . . . . ?
Au2 Au1 S1 C1 7.2(5) . . . . ?
Au1 Au1 S1 C1 -137.7(5) 2_655 . . . ?
S1 Au1 P1 C10 -10(3) . . . . ?
Au2 Au1 P1 C10 99(2) . . . . ?
Au1 Au1 P1 C10 -115(2) 2_655 . . . ?
S1 Au1 P1 C10' -12(3) . . . . ?
Au2 Au1 P1 C10' 97(2) . . . . ?
Au1 Au1 P1 C10' -118(2) 2_655 . . . ?
S1 Au1 P1 C16 108.0(17) . . . . ?
Au2 Au1 P1 C16 -143.1(5) . . . . ?
Au1 Au1 P1 C16 2.3(5) 2_655 . . . ?
S1 Au1 P1 C9 -132.2(16) . . . . ?
Au2 Au1 P1 C9 -23.2(4) . . . . ?
Au1 Au1 P1 C9 122.1(4) 2_655 . . . ?
N1 Au2 P2 C22' 147(10) . . . . ?
Au1 Au2 P2 C22' -101.0(11) . . . . ?
N1 Au2 P2 C22 155(10) . . . . ?
Au1 Au2 P2 C22 -92.9(7) . . . . ?
N1 Au2 P2 C28 31(10) . . . . ?
Au1 Au2 P2 C28 143.2(4) . . . . ?
N1 Au2 P2 C9 -89(10) . . . . ?
Au1 Au2 P2 C9 23.7(4) . . . . ?
P2 Au2 N1 C2 -62(10) . . . . ?
Au1 Au2 N1 C2 -174.5(9) . . . . ?
P2 Au2 N1 C1 115(10) . . . . ?
Au1 Au2 N1 C1 2.4(9) . . . . ?
C7 N2 C1 N1 3.6(15) . . . . ?
C7 N2 C1 S1 -179.9(9) . . . . ?
C2 N1 C1 N2 -2.9(14) . . . . ?
Au2 N1 C1 N2 179.7(8) . . . . ?
C2 N1 C1 S1 -179.1(9) . . . . ?
Au2 N1 C1 S1 3.5(16) . . . . ?
Au1 S1 C1 N2 175.5(9) . . . . ?
Au1 S1 C1 N1 -8.6(12) . . . . ?
C1 N1 C2 C3 -179.2(13) . . . . ?
Au2 N1 C2 C3 -1.8(18) . . . . ?
C1 N1 C2 C7 0.8(13) . . . . ?
Au2 N1 C2 C7 178.3(8) . . . . ?
N1 C2 C3 C4 179.9(12) . . . . ?
C7 C2 C3 C4 -0.1(18) . . . . ?
C2 C3 C4 C5 -0.7(18) . . . . ?
C2 C3 C4 C8 171.6(14) . . . . ?
C3 C4 C5 C6 1(2) . . . . ?
C8 C4 C5 C6 -171.2(15) . . . . ?
C3 C4 C5 C8' 176(2) . . . . ?
C4 C5 C6 C7 0(2) . . . . ?
C8' C5 C6 C7 -176(2) . . . . ?
C5 C6 C7 N2 178.7(14) . . . . ?
C5 C6 C7 C2 -1(2) . . . . ?
C1 N2 C7 C6 177.6(15) . . . . ?
C1 N2 C7 C2 -3.0(14) . . . . ?
N1 C2 C7 C6 -179.2(12) . . . . ?
C3 C2 C7 C6 0.9(19) . . . . ?
N1 C2 C7 N2 1.3(14) . . . . ?
C3 C2 C7 N2 -178.6(11) . . . . ?
C22' P2 C9 P1 71.1(13) . . . . ?
C22 P2 C9 P1 80.0(9) . . . . ?
C28 P2 C9 P1 -171.2(7) . . . . ?
Au2 P2 C9 P1 -47.2(8) . . . . ?
C10 P1 C9 P2 -78(3) . . . . ?
C10' P1 C9 P2 -75(3) . . . . ?
C16 P1 C9 P2 174.4(7) . . . . ?
Au1 P1 C9 P2 47.1(8) . . . . ?
C16 P1 C10 C11 34(2) . . . . ?
C9 P1 C10 C11 -76(3) . . . . ?
Au1 P1 C10 C11 160.7(14) . . . . ?
C16 P1 C10 C15 -144.1(17) . . . . ?
C9 P1 C10 C15 106.0(16) . . . . ?
Au1 P1 C10 C15 -17(3) . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
P1 C10 C11 C12 -178(3) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
P1 C10 C15 C14 178(3) . . . . ?
C16 P1 C10' C11' 40(3) . . . . ?
C9 P1 C10' C11' -71(4) . . . . ?
Au1 P1 C10' C11' 167(2) . . . . ?
C10 P1 C10' C15' -133(75) . . . . ?
C16 P1 C10' C15' -143.3(14) . . . . ?
C9 P1 C10' C15' 106.2(15) . . . . ?
Au1 P1 C10' C15' -16(2) . . . . ?
C15' C10' C11' C12' 0.0 . . . . ?
P1 C10' C11' C12' 177(4) . . . . ?
C10' C11' C12' C13' 0.0 . . . . ?
C11' C12' C13' C14' 0.0 . . . . ?
C12' C13' C14' C15' 0.0 . . . . ?
C13' C14' C15' C10' 0.0 . . . . ?
C11' C10' C15' C14' 0.0 . . . . ?
P1 C10' C15' C14' -177(4) . . . . ?
C10 P1 C16 C21 -123.6(19) . . . . ?
C10' P1 C16 C21 -123(2) . . . . ?
C9 P1 C16 C21 -10.4(14) . . . . ?
Au1 P1 C16 C21 112.7(11) . . . . ?
C10 P1 C16 C17 54.8(19) . . . . ?
C10' P1 C16 C17 55(2) . . . . ?
C9 P1 C16 C17 168.0(12) . . . . ?
Au1 P1 C16 C17 -68.8(13) . . . . ?
C21 C16 C17 C18 0(2) . . . . ?
P1 C16 C17 C18 -178.4(13) . . . . ?
C16 C17 C18 C19 1(3) . . . . ?
C17 C18 C19 C20 -1(3) . . . . ?
C18 C19 C20 C21 1(3) . . . . ?
C19 C20 C21 C16 0(2) . . . . ?
C17 C16 C21 C20 -1(2) . . . . ?
P1 C16 C21 C20 177.9(11) . . . . ?
C28 P2 C22 C23 -90.3(10) . . . . ?
C9 P2 C22 C23 19.6(11) . . . . ?
Au2 P2 C22 C23 141.5(8) . . . . ?
C28 P2 C22 C27 95.2(8) . . . . ?
C9 P2 C22 C27 -154.8(8) . . . . ?
Au2 P2 C22 C27 -33.0(10) . . . . ?
C27 C22 C23 C24 0.0 . . . . ?
P2 C22 C23 C24 -174.2(14) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C23 C22 C27 C26 0.0 . . . . ?
P2 C22 C27 C26 174.7(13) . . . . ?
C28 P2 C22' C23' -95.0(16) . . . . ?
C9 P2 C22' C23' 22.3(19) . . . . ?
Au2 P2 C22' C23' 144.4(13) . . . . ?
C28 P2 C22' C27' 78.2(16) . . . . ?
C9 P2 C22' C27' -164.4(12) . . . . ?
Au2 P2 C22' C27' -42.3(16) . . . . ?
C27' C22' C23' C24' 0.0 . . . . ?
P2 C22' C23' C24' 173(2) . . . . ?
C22' C23' C24' C25' 0.0 . . . . ?
C23' C24' C25' C26' 0.0 . . . . ?
C24' C25' C26' C27' 0.0 . . . . ?
C25' C26' C27' C22' 0.0 . . . . ?
C23' C22' C27' C26' 0.0 . . . . ?
P2 C22' C27' C26' -173(2) . . . . ?
C22' P2 C28 C29 -92.3(16) . . . . ?
C22 P2 C28 C29 -109.3(13) . . . . ?
C9 P2 C28 C29 144.5(12) . . . . ?
Au2 P2 C28 C29 22.1(13) . . . . ?
C22' P2 C28 C33 85.0(15) . . . . ?
C22 P2 C28 C33 68.0(13) . . . . ?
C9 P2 C28 C33 -38.1(12) . . . . ?
Au2 P2 C28 C33 -160.5(10) . . . . ?
C33 C28 C29 C30 -1(2) . . . . ?
P2 C28 C29 C30 176.3(13) . . . . ?
C28 C29 C30 C31 2(3) . . . . ?
C29 C30 C31 C32 -4(2) . . . . ?
C30 C31 C32 C33 5(2) . . . . ?
C29 C28 C33 C32 2(2) . . . . ?
P2 C28 C33 C32 -175.2(11) . . . . ?
C31 C32 C33 C28 -4(2) . . . . ?
P3 Au3 Au4 N3 -179.7(3) . . . . ?
S2 Au3 Au4 N3 5.0(3) . . . . ?
Au3 Au3 Au4 N3 -77.6(3) 2_655 . . . ?
P3 Au3 Au4 P4 -1.15(10) . . . . ?
S2 Au3 Au4 P4 -176.38(12) . . . . ?
Au3 Au3 Au4 P4 100.99(8) 2_655 . . . ?
P3 Au3 S2 C34 -97.7(15) . . . . ?
Au4 Au3 S2 C34 -6.5(5) . . . . ?
Au3 Au3 S2 C34 140.6(5) 2_655 . . . ?
S2 Au3 P3 C43 -122.1(14) . . . . ?
Au4 Au3 P3 C43 146.8(4) . . . . ?
Au3 Au3 P3 C43 -0.6(4) 2_655 . . . ?
S2 Au3 P3 C49 -1.7(16) . . . . ?
Au4 Au3 P3 C49 -92.8(4) . . . . ?
Au3 Au3 P3 C49 119.7(4) 2_655 . . . ?
S2 Au3 P3 C42 116.4(14) . . . . ?
Au4 Au3 P3 C42 25.4(3) . . . . ?
Au3 Au3 P3 C42 -122.1(3) 2_655 . . . ?
N3 Au4 P4 C55 -137(10) . . . . ?
Au3 Au4 P4 C55 98.9(4) . . . . ?
N3 Au4 P4 C61 -17(10) . . . . ?
Au3 Au4 P4 C61 -140.6(8) . . . . ?
N3 Au4 P4 C61' -19(10) . . . . ?
Au3 Au4 P4 C61' -143.4(11) . . . . ?
N3 Au4 P4 C42 101(10) . . . . ?
Au3 Au4 P4 C42 -23.3(4) . . . . ?
P4 Au4 N3 C35 49(10) . . . . ?
Au3 Au4 N3 C35 173.2(9) . . . . ?
P4 Au4 N3 C34 -127(10) . . . . ?
Au3 Au4 N3 C34 -3.4(9) . . . . ?
C40 N4 C34 N3 -2.4(15) . . . . ?
C40 N4 C34 S2 179.3(9) . . . . ?
C35 N3 C34 N4 3.1(14) . . . . ?
Au4 N3 C34 N4 -179.7(9) . . . . ?
C35 N3 C34 S2 -178.8(9) . . . . ?
Au4 N3 C34 S2 -1.6(16) . . . . ?
Au3 S2 C34 N4 -175.0(10) . . . . ?
Au3 S2 C34 N3 6.9(12) . . . . ?
C34 N3 C35 C36 177.1(13) . . . . ?
Au4 N3 C35 C36 -0.1(19) . . . . ?
C34 N3 C35 C40 -2.2(12) . . . . ?
Au4 N3 C35 C40 -179.5(8) . . . . ?
N3 C35 C36 C37 -179.2(12) . . . . ?
C40 C35 C36 C37 0.1(18) . . . . ?
C35 C36 C37 C38 2(2) . . . . ?
C35 C36 C37 C41 -178.4(16) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C41 C37 C38 C39 177.9(17) . . . . ?
C36 C37 C38 C41' 178.9(18) . . . . ?
C41 C37 C38 C41' -1(2) . . . . ?
C37 C38 C39 C40 1(2) . . . . ?
C41' C38 C39 C40 179(2) . . . . ?
C38 C39 C40 N4 177.1(15) . . . . ?
C38 C39 C40 C35 1(2) . . . . ?
C34 N4 C40 C39 -175.7(15) . . . . ?
C34 N4 C40 C35 0.8(15) . . . . ?
C36 C35 C40 C39 -1.3(19) . . . . ?
N3 C35 C40 C39 178.1(12) . . . . ?
C36 C35 C40 N4 -178.4(12) . . . . ?
N3 C35 C40 N4 1.0(14) . . . . ?
C55 P4 C42 P3 -78.5(6) . . . . ?
C61 P4 C42 P3 167.4(9) . . . . ?
C61' P4 C42 P3 173.7(11) . . . . ?
Au4 P4 C42 P3 47.8(6) . . . . ?
C43 P3 C42 P4 -177.8(6) . . . . ?
C49 P3 C42 P4 71.0(7) . . . . ?
Au3 P3 C42 P4 -49.4(6) . . . . ?
C49 P3 C43 C48 125.3(10) . . . . ?
C42 P3 C43 C48 13.1(11) . . . . ?
Au3 P3 C43 C48 -111.6(9) . . . . ?
C49 P3 C43 C44 -54.7(10) . . . . ?
C42 P3 C43 C44 -166.9(9) . . . . ?
Au3 P3 C43 C44 68.5(10) . . . . ?
C48 C43 C44 C45 -1.5(18) . . . . ?
P3 C43 C44 C45 178.4(10) . . . . ?
C43 C44 C45 C46 2(2) . . . . ?
C44 C45 C46 C47 -2(2) . . . . ?
C45 C46 C47 C48 0.4(19) . . . . ?
C46 C47 C48 C43 0.2(19) . . . . ?
C44 C43 C48 C47 0.4(18) . . . . ?
P3 C43 C48 C47 -179.6(9) . . . . ?
C43 P3 C49 C50 -33.7(12) . . . . ?
C42 P3 C49 C50 77.6(11) . . . . ?
Au3 P3 C49 C50 -161.3(10) . . . . ?
C43 P3 C49 C54 151.3(9) . . . . ?
C42 P3 C49 C54 -97.4(10) . . . . ?
Au3 P3 C49 C54 23.7(10) . . . . ?
C54 C49 C50 C51 0(2) . . . . ?
P3 C49 C50 C51 -175.0(11) . . . . ?
C49 C50 C51 C52 2(2) . . . . ?
C50 C51 C52 C53 -3(2) . . . . ?
C51 C52 C53 C54 1(2) . . . . ?
C52 C53 C54 C49 1(2) . . . . ?
C50 C49 C54 C53 -1.6(19) . . . . ?
P3 C49 C54 C53 173.3(10) . . . . ?
C61 P4 C55 C60 -92.8(10) . . . . ?
C61' P4 C55 C60 -95.9(12) . . . . ?
C42 P4 C55 C60 153.4(8) . . . . ?
Au4 P4 C55 C60 29.5(10) . . . . ?
C61 P4 C55 C56 88.4(11) . . . . ?
C61' P4 C55 C56 85.3(12) . . . . ?
C42 P4 C55 C56 -25.4(10) . . . . ?
Au4 P4 C55 C56 -149.3(8) . . . . ?
C60 C55 C56 C57 -1.1(17) . . . . ?
P4 C55 C56 C57 177.7(10) . . . . ?
C55 C56 C57 C58 2(2) . . . . ?
C56 C57 C58 C59 0(2) . . . . ?
C57 C58 C59 C60 -2(2) . . . . ?
C56 C55 C60 C59 -1.6(17) . . . . ?
P4 C55 C60 C59 179.6(9) . . . . ?
C58 C59 C60 C55 3.4(19) . . . . ?
C55 P4 C61 C62 -83.6(16) . . . . ?
C42 P4 C61 C62 31.1(17) . . . . ?
Au4 P4 C61 C62 151.0(13) . . . . ?
C55 P4 C61 C66 96.3(9) . . . . ?
C42 P4 C61 C66 -149.0(9) . . . . ?
Au4 P4 C61 C66 -29.0(10) . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
P4 C61 C62 C63 179.9(17) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
P4 C61 C66 C65 -179.9(16) . . . . ?
C55 P4 C61' C62' -59.3(19) . . . . ?
C42 P4 C61' C62' 53(2) . . . . ?
Au4 P4 C61' C62' 175.8(14) . . . . ?
C55 P4 C61' C66' 113.6(11) . . . . ?
C42 P4 C61' C66' -134.2(10) . . . . ?
Au4 P4 C61' C66' -11.4(13) . . . . ?
C66' C61' C62' C63' 0.0 . . . . ?
P4 C61' C62' C63' 173(2) . . . . ?
C61' C62' C63' C64' 0.0 . . . . ?
C62' C63' C64' C65' 0.0 . . . . ?
C63' C64' C65' C66' 0.0 . . . . ?
C64' C65' C66' C61' 0.0 . . . . ?
C62' C61' C66' C65' 0.0 . . . . ?
P4 C61' C66' C65' -173.2(19) . . . . ?
