# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2016

####################################################################### 
# 
# 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. 
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#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1477150'
_audit_update_record             
;
2016-04-28 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C120 H120 Au8 N4 O8 P8 S2'
_chemical_formula_iupac          ?
_chemical_formula_weight         3633.81

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.4715(11)
_cell_length_b                   20.1344(15)
_cell_length_c                   20.7470(16)
_cell_angle_alpha                90
_cell_angle_beta                 98.1469(10)
_cell_angle_gamma                90
_cell_volume                     5984.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9970
_cell_measurement_theta_min      2.2263
_cell_measurement_theta_max      27.3898
_cell_measurement_temperature    90.0(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.150
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3432

_exptl_absorpt_coefficient_mu    9.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_T_max  0.32

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90.0(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            28224
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24

_refine_special_details          
;
;

_reflns_number_total             10522
_reflns_number_gt                8451
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0541
_refine_ls_wR_factor_gt          0.1386
_refine_ls_wR_factor_ref         0.1678
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.099
_refine_ls_number_reflns         10522
_refine_ls_number_parameters     699
_refine_ls_number_restraints     746
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0748P)²+159.1864P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         5.099
_refine_diff_density_min         -2.924
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'

_computing_data_collection       'Bruker SMART APEXII'
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XSHELL V6.3.1 (BruekrAXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 -0.08092(4) 0.38306(4) 0.18910(3) 0.0499(2) Uani d . . . 1.0 A 2
Au Au2 -0.05390(3) 0.51267(3) 0.10877(2) 0.02823(15) Uani d . . . 1.0 A 2
Au Au3 -0.05947(3) 0.39662(3) 0.04749(3) 0.02916(15) Uani d . . . 1.0 A 2
Au Au4 0.08526(3) 0.48905(2) 0.02933(2) 0.02322(14) Uani d . . . 1.0 A 2
P P1 0.0512(4) 0.3391(3) 0.2446(3) 0.084(2) Uani d . . . 1.0 A 2
P P2 -0.0466(2) 0.61083(19) 0.16874(17) 0.0310(8) Uani d . . . 1.0 A 2
P P3 -0.0971(2) 0.29099(18) 0.0074(2) 0.0345(8) Uani d . . . 1.0 A 2
P P4 0.2336(2) 0.47501(19) 0.08435(18) 0.0311(8) Uani d . . . 1.0 A 2
S S1 -0.2236(3) 0.4291(3) 0.1466(3) 0.0636(13) Uani d . . . 1.0 A 2
N N1 -0.3867(18) 0.4793(14) 0.3070(12) 0.115(8) Uani d . . . 1.0 A 2
C C1A 0.0364(15) 0.3389(10) 0.3379(10) 0.066(4) Uani d U . . 1.0 A 2
C C2A -0.0380(17) 0.3522(11) 0.3593(11) 0.076(4) Uani d U . . 1.0 A 2
H H2A -0.0921 0.3605 0.3287 0.091 Uiso calc U . R 1.0 A 2
C C3A -0.0468(17) 0.3557(11) 0.4260(11) 0.076(4) Uani d U . . 1.0 A 2
H H3A -0.1051 0.3663 0.4393 0.092 Uiso calc U . R 1.0 A 2
C C4A 0.0284(16) 0.3438(11) 0.4707(11) 0.074(4) Uani d U . . 1.0 A 2
H H4A 0.0249 0.3453 0.516 0.089 Uiso calc U . R 1.0 A 2
C C5A 0.1072(15) 0.3301(11) 0.4483(10) 0.069(4) Uani d U . . 1.0 A 2
H H5A 0.1608 0.322 0.4793 0.083 Uiso calc U . R 1.0 A 2
C C6A 0.1176(16) 0.3267(11) 0.3831(11) 0.073(4) Uani d U . . 1.0 A 2
H H6A 0.1759 0.3166 0.3694 0.087 Uiso calc U . R 1.0 A 2
C C1B 0.0766(12) 0.2544(10) 0.2243(9) 0.055(3) Uani d U . . 1.0 A 2
C C2B 0.0017(12) 0.2107(10) 0.2019(8) 0.054(3) Uani d U . . 1.0 A 2
H H2B -0.0603 0.2273 0.1938 0.065 Uiso calc U . R 1.0 A 2
C C3B 0.0182(14) 0.1449(11) 0.1918(9) 0.061(3) Uani d U . . 1.0 A 2
H H3B -0.0326 0.1158 0.1783 0.073 Uiso calc U . R 1.0 A 2
C C4B 0.1096(14) 0.1201(12) 0.2012(10) 0.067(4) Uani d U . . 1.0 A 2
H H4B 0.1216 0.0745 0.194 0.081 Uiso calc U . R 1.0 A 2
C C5B 0.1826(15) 0.1640(11) 0.2214(10) 0.068(4) Uani d U . . 1.0 A 2
H H5B 0.2453 0.1486 0.2261 0.082 Uiso calc U . R 1.0 A 2
C C6B 0.1651(13) 0.2280(11) 0.2341(9) 0.063(4) Uani d U . . 1.0 A 2
H H6B 0.2158 0.256 0.2506 0.075 Uiso calc U . R 1.0 A 2
C C1C -0.1587(11) 0.6507(9) 0.1769(8) 0.044(3) Uani d U . . 1.0 A 2
C C2C -0.2368(11) 0.6127(10) 0.1700(9) 0.051(3) Uani d U . . 1.0 A 2
H H2C -0.2338 0.5669 0.1592 0.061 Uiso calc U . R 1.0 A 2
C C3C -0.3210(13) 0.6416(10) 0.1788(9) 0.058(3) Uani d U . . 1.0 A 2
H H3C -0.3758 0.6152 0.1754 0.07 Uiso calc U . R 1.0 A 2
C C4C -0.3256(14) 0.7085(10) 0.1926(10) 0.063(4) Uani d U . . 1.0 A 2
H H4C -0.3844 0.728 0.196 0.076 Uiso calc U . R 1.0 A 2
C C5C -0.2479(14) 0.7468(11) 0.2013(10) 0.064(4) Uani d U . . 1.0 A 2
H H5C -0.2517 0.7926 0.2113 0.077 Uiso calc U . R 1.0 A 2
C C6C -0.1623(13) 0.7175(10) 0.1953(9) 0.056(3) Uani d U . . 1.0 A 2
H H6C -0.1065 0.7428 0.2037 0.067 Uiso calc U . R 1.0 A 2
C C1D 0.0124(10) 0.6031(8) 0.2520(7) 0.038(3) Uani d U . . 1.0 A 2
C C2D 0.0136(11) 0.5421(8) 0.2831(7) 0.044(3) Uani d U . . 1.0 A 2
H H2D -0.0148 0.5048 0.2603 0.053 Uiso calc U . R 1.0 A 2
C C3D 0.0553(13) 0.5349(10) 0.3463(8) 0.054(3) Uani d U . . 1.0 A 2
H H3D 0.0569 0.4928 0.367 0.064 Uiso calc U . R 1.0 A 2
C C4D 0.0954(12) 0.5906(9) 0.3800(8) 0.051(3) Uani d U . . 1.0 A 2
H H4D 0.1228 0.5864 0.4242 0.061 Uiso calc U . R 1.0 A 2
C C5D 0.0955(11) 0.6483(9) 0.3509(8) 0.047(3) Uani d U . . 1.0 A 2
H H5D 0.1243 0.685 0.3746 0.056 Uiso calc U . R 1.0 A 2
C C6D 0.0549(11) 0.6581(9) 0.2866(8) 0.045(3) Uani d U . . 1.0 A 2
H H6D 0.0558 0.7005 0.2666 0.054 Uiso calc U . R 1.0 A 2
C C1E 0.0018(11) 0.2366(8) 0.0062(8) 0.046(3) Uani d U . . 1.0 A 2
C C2E 0.0810(11) 0.2474(9) 0.0508(9) 0.050(3) Uani d U . . 1.0 A 2
H H2E 0.0813 0.2823 0.0816 0.059 Uiso calc U . R 1.0 A 2
C C3E 0.1596(13) 0.2083(10) 0.0510(10) 0.063(4) Uani d U . . 1.0 A 2
H H3E 0.2139 0.2175 0.0811 0.075 Uiso calc U . R 1.0 A 2
C C4E 0.1602(14) 0.1586(11) 0.0102(11) 0.069(4) Uani d U . . 1.0 A 2
H H4E 0.2143 0.1316 0.0114 0.082 Uiso calc U . R 1.0 A 2
C C5E 0.0800(14) 0.1450(11) -0.0356(10) 0.066(4) Uani d U . . 1.0 A 2
H H5E 0.0804 0.1094 -0.0657 0.079 Uiso calc U . R 1.0 A 2
C C6E 0.0006(13) 0.1844(9) -0.0361(10) 0.057(3) Uani d U . . 1.0 A 2
H H6E -0.0542 0.175 -0.0657 0.068 Uiso calc U . R 1.0 A 2
C C1F -0.1778(11) 0.2455(8) 0.0528(8) 0.043(3) Uani d U . . 1.0 A 2
C C2F -0.1671(11) 0.1815(8) 0.0730(8) 0.043(3) Uani d U . . 1.0 A 2
H H2F -0.115 0.1572 0.0625 0.052 Uiso calc U . R 1.0 A 2
C C3F -0.2276(12) 0.1506(9) 0.1077(8) 0.050(3) Uani d U . . 1.0 A 2
H H3F -0.2184 0.1052 0.1196 0.06 Uiso calc U . R 1.0 A 2
C C4F -0.3027(13) 0.1854(10) 0.1257(9) 0.057(3) Uani d U . . 1.0 A 2
H H4F -0.3443 0.1649 0.1512 0.069 Uiso calc U . R 1.0 A 2
C C5F -0.3152(13) 0.2483(10) 0.1064(10) 0.061(3) Uani d U . . 1.0 A 2
H H5F -0.3665 0.2726 0.1181 0.073 Uiso calc U . R 1.0 A 2
C C6F -0.2547(12) 0.2790(9) 0.0696(9) 0.054(3) Uani d U . . 1.0 A 2
H H6F -0.266 0.3236 0.0557 0.065 Uiso calc U . R 1.0 A 2
C C1G 0.2919(11) 0.3996(8) 0.0634(8) 0.045(3) Uani d U . . 1.0 A 2
C C2G 0.3695(11) 0.3747(9) 0.1050(9) 0.051(3) Uani d U . . 1.0 A 2
H H2G 0.3919 0.3971 0.1444 0.061 Uiso calc U . R 1.0 A 2
C C3G 0.4125(12) 0.3178(9) 0.0882(9) 0.056(3) Uani d U . . 1.0 A 2
H H3G 0.4631 0.2992 0.1167 0.067 Uiso calc U . R 1.0 A 2
C C4G 0.3819(13) 0.2883(10) 0.0302(9) 0.058(3) Uani d U . . 1.0 A 2
H H4G 0.4144 0.2502 0.0184 0.07 Uiso calc U . R 1.0 A 2
C C5G 0.3070(13) 0.3104(9) -0.0123(10) 0.058(3) Uani d U . . 1.0 A 2
H H5G 0.2861 0.288 -0.0521 0.069 Uiso calc U . R 1.0 A 2
C C6G 0.2627(12) 0.3685(9) 0.0067(9) 0.050(3) Uani d U . . 1.0 A 2
H H6G 0.2109 0.3861 -0.0214 0.061 Uiso calc U . R 1.0 A 2
C C1H 0.3193(10) 0.5394(8) 0.0762(8) 0.043(3) Uani d U . . 1.0 A 2
C C2H 0.3475(11) 0.5839(9) 0.1259(9) 0.049(3) Uani d U . . 1.0 A 2
H H2H 0.3223 0.5808 0.1656 0.059 Uiso calc U . R 1.0 A 2
C C3H 0.4114(12) 0.6322(9) 0.1184(9) 0.054(3) Uani d U . . 1.0 A 2
H H3H 0.43 0.6628 0.1527 0.065 Uiso calc U . R 1.0 A 2
C C4H 0.4484(12) 0.6366(9) 0.0615(9) 0.056(3) Uani d U . . 1.0 A 2
H H4H 0.4938 0.6696 0.0567 0.067 Uiso calc U . R 1.0 A 2
C C5H 0.4210(14) 0.5944(10) 0.0123(10) 0.061(3) Uani d U . . 1.0 A 2
H H5H 0.4466 0.5983 -0.0272 0.074 Uiso calc U . R 1.0 A 2
C C6H 0.3541(12) 0.5439(9) 0.0188(9) 0.055(3) Uani d U . . 1.0 A 2
H H6H 0.3344 0.5141 -0.016 0.066 Uiso calc U . R 1.0 A 2
C C1I -0.2815(19) 0.4497(14) 0.2097(13) 0.091(5) Uani d U . . 1.0 A 2
C C2I -0.379(2) 0.4645(14) 0.1944(14) 0.098(5) Uani d U . . 1.0 A 2
H H2I -0.4101 0.4638 0.1509 0.118 Uiso calc U . R 1.0 A 2
C C3I -0.425(2) 0.4796(15) 0.2452(15) 0.102(6) Uani d U . . 1.0 A 2
H H3I -0.4893 0.4912 0.2358 0.122 Uiso calc U . R 1.0 A 2
C C4I -0.302(2) 0.4732(15) 0.3257(16) 0.107(6) Uani d U . . 1.0 A 2
H H4I -0.2752 0.4792 0.3698 0.129 Uiso calc U . R 1.0 A 2
C C5I -0.245(2) 0.4549(14) 0.2708(14) 0.099(5) Uani d U . . 1.0 A 2
H H5I -0.1801 0.4469 0.282 0.119 Uiso calc U . R 1.0 A 2
C C1Y 0.1496(14) 0.3961(11) 0.2468(10) 0.065(4) Uani d U . . 1.0 A 2
H H1Y1 0.1324 0.4411 0.2605 0.078 Uiso calc U . R 1.0 A 2
H H1Y2 0.2038 0.3801 0.2773 0.078 Uiso calc U . R 1.0 A 2
C C2Y 0.1706(13) 0.3969(10) 0.1808(9) 0.059(4) Uani d U . . 1.0 A 2
H H2Y1 0.1122 0.3961 0.1495 0.071 Uiso calc U . R 1.0 A 2
H H2Y2 0.2085 0.3576 0.1728 0.071 Uiso calc U . R 1.0 A 2
C C3Y 0.2313(12) 0.4682(9) 0.1716(8) 0.052(4) Uani d U . . 1.0 A 2
H H3Y1 0.2955 0.4653 0.1956 0.062 Uiso calc U . R 1.0 A 2
H H3Y2 0.1996 0.507 0.1879 0.062 Uiso calc U . R 1.0 A 2
C C1Z 0.0159(9) 0.6742(7) 0.1296(7) 0.032(3) Uani d U . . 1.0 A 2
H H1Z1 -0.0201 0.6846 0.0866 0.039 Uiso calc U . R 1.0 A 2
H H1Z2 0.0188 0.7151 0.1562 0.039 Uiso calc U . R 1.0 A 2
C C2Z -0.1136(9) 0.3449(7) -0.1200(7) 0.034(3) Uani d U . . 1.0 A 2
H H2Z1 -0.1531 0.3465 -0.1631 0.041 Uiso calc U . R 1.0 A 2
H H2Z2 -0.1124 0.39 -0.101 0.041 Uiso calc U . R 1.0 A 2
C C3Z -0.1585(9) 0.2964(7) -0.0753(7) 0.035(3) Uani d U . . 1.0 A 2
H H3Z1 -0.161 0.2516 -0.095 0.042 Uiso calc U . R 1.0 A 2
H H3Z2 -0.2235 0.3108 -0.0734 0.042 Uiso calc U . R 1.0 A 2
N N2 0.4042(12) 0.3425(10) 0.2810(8) 0.069(5) Uani d . . . 1.0 B 2
O O4 0.3923(11) 0.4052(8) 0.2801(8) 0.079(4) Uani d U . . 1.0 B 2
O O5 0.4771(16) 0.3222(10) 0.2569(11) 0.118(7) Uani d U . . 1.0 B 2
O O6 0.3593(13) 0.3062(11) 0.3031(11) 0.128(7) Uani d U . . 1.0 B 2
O O1 0.671(3) 0.528(2) 0.5228(12) 0.128(10) Uani d U P D 0.56(2) C 1
H H1 0.7246 0.5135 0.5198 0.192 Uiso calc U P R 0.56(2) C 1
C C1 0.654(4) 0.522(3) 0.5888(12) 0.129(13) Uani d U P D 0.56(2) C 1
H H1A 0.7077 0.5019 0.6152 0.194 Uiso calc U P R 0.56(2) C 1
H H1B 0.5982 0.4948 0.5906 0.194 Uiso calc U P R 0.56(2) C 1
H H1C 0.6432 0.5667 0.6058 0.194 Uiso calc U P R 0.56(2) C 1
C C2 0.5287(16) 0.528(2) 0.418(2) 0.062(10) Uani d U P D 0.44(2) C 2
H H2J 0.5197 0.576 0.4113 0.092 Uiso calc U P R 0.44(2) C 2
H H2K 0.498 0.514 0.455 0.092 Uiso calc U P R 0.44(2) C 2
H H2L 0.5015 0.5043 0.3788 0.092 Uiso calc U P R 0.44(2) C 2
O O2 0.6263(16) 0.514(2) 0.432(2) 0.119(9) Uani d U P D 0.44(2) C 2
H H2 0.6403 0.5041 0.4711 0.178 Uiso calc U P R 0.44(2) C 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 . 2.267(5) ?
Au1 S1 . 2.320(5) ?
Au1 Au3 . 3.0101(9) ?
Au1 Au2 . 3.1505(8) ?
Au2 P2 . 2.330(4) ?
Au2 Au3 . 2.6558(8) ?
Au2 Au4 . 2.8175(7) ?
Au2 Au4 3_565 2.8368(7) ?
Au3 P3 . 2.321(4) ?
Au3 Au4 3_565 2.7948(7) ?
Au3 Au4 . 2.8663(7) ?
Au4 P4 . 2.302(3) ?
Au4 Au4 3_565 2.6296(9) ?
Au4 Au3 3_565 2.7949(7) ?
Au4 Au2 3_565 2.8368(7) ?
P1 C1B . 1.81(2) ?
P1 C1Y . 1.82(2) ?
P1 C1A . 1.98(2) ?
P2 C1Z . 1.820(15) ?
P2 C1D . 1.823(15) ?
P2 C1C . 1.839(15) ?
P3 C1E . 1.806(16) ?
P3 C3Z . 1.819(14) ?
P3 C1F . 1.845(16) ?
P4 C1H . 1.819(15) ?
P4 C1G . 1.819(17) ?
P4 C3Y . 1.821(17) ?
S1 C1I . 1.70(3) ?
N1 C4I . 1.23(4) ?
N1 C3I . 1.32(3) ?
C1A C2A . 1.25(3) ?
C1A C6A . 1.42(3) ?
C2A C3A . 1.41(3) ?
C2A H2A . 0.95 ?
C3A C4A . 1.35(3) ?
C3A H3A . 0.95 ?
C4A C5A . 1.32(3) ?
C4A H4A . 0.95 ?
C5A C6A . 1.38(3) ?
C5A H5A . 0.95 ?
C6A H6A . 0.95 ?
C1B C6B . 1.37(3) ?
C1B C2B . 1.42(3) ?
C2B C3B . 1.37(3) ?
C2B H2B . 0.95 ?
C3B C4B . 1.40(3) ?
C3B H3B . 0.95 ?
C4B C5B . 1.40(3) ?
C4B H4B . 0.95 ?
C5B C6B . 1.35(3) ?
C5B H5B . 0.95 ?
C6B H6B . 0.95 ?
C1C C2C . 1.36(2) ?
C1C C6C . 1.40(2) ?
C2C C3C . 1.39(2) ?
C2C H2C . 0.95 ?
C3C C4C . 1.38(3) ?
C3C H3C . 0.95 ?
C4C C5C . 1.35(3) ?
C4C H4C . 0.95 ?
C5C C6C . 1.39(2) ?
C5C H5C . 0.95 ?
C6C H6C . 0.95 ?
C1D C2D . 1.39(2) ?
C1D C6D . 1.41(2) ?
C2D C3D . 1.37(2) ?
C2D H2D . 0.95 ?
C3D C4D . 1.40(2) ?
C3D H3D . 0.95 ?
C4D C5D . 1.31(2) ?
C4D H4D . 0.95 ?
C5D C6D . 1.39(2) ?
C5D H5D . 0.95 ?
C6D H6D . 0.95 ?
C1E C6E . 1.37(3) ?
C1E C2E . 1.38(2) ?
C2E C3E . 1.38(2) ?
C2E H2E . 0.95 ?
C3E C4E . 1.31(3) ?
C3E H3E . 0.95 ?
C4E C5E . 1.42(3) ?
C4E H4E . 0.95 ?
C5E C6E . 1.40(2) ?
C5E H5E . 0.95 ?
C6E H6E . 0.95 ?
C1F C2F . 1.36(2) ?
C1F C6F . 1.39(2) ?
C2F C3F . 1.36(2) ?
C2F H2F . 0.95 ?
C3F C4F . 1.39(3) ?
C3F H3F . 0.95 ?
C4F C5F . 1.33(3) ?
C4F H4F . 0.95 ?
C5F C6F . 1.39(2) ?
C5F H5F . 0.95 ?
C6F H6F . 0.95 ?
C1G C6G . 1.35(2) ?
C1G C2G . 1.41(2) ?
C2G C3G . 1.37(2) ?
C2G H2G . 0.95 ?
C3G C4G . 1.36(3) ?
C3G H3G . 0.95 ?
C4G C5G . 1.37(3) ?
C4G H4G . 0.95 ?
C5G C6G . 1.42(2) ?
C5G H5G . 0.95 ?
C6G H6G . 0.95 ?
C1H C6H . 1.36(2) ?
C1H C2H . 1.38(2) ?
C2H C3H . 1.37(2) ?
C2H H2H . 0.95 ?
C3H C4H . 1.37(3) ?
C3H H3H . 0.95 ?
C4H C5H . 1.34(3) ?
C4H H4H . 0.95 ?
C5H C6H . 1.42(2) ?
C5H H5H . 0.95 ?
C6H H6H . 0.95 ?
C1I C5I . 1.31(3) ?
C1I C2I . 1.43(4) ?
C2I C3I . 1.36(4) ?
C2I H2I . 0.95 ?
C3I H3I . 0.95 ?
C4I C5I . 1.55(4) ?
C4I H4I . 0.95 ?
C5I H5I . 0.95 ?
C1Y C2Y . 1.45(3) ?
C1Y H1Y1 . 0.99 ?
C1Y H1Y2 . 0.99 ?
C2Y C3Y . 1.71(2) ?
C2Y H2Y1 . 0.99 ?
C2Y H2Y2 . 0.99 ?
C3Y H3Y1 . 0.99 ?
C3Y H3Y2 . 0.99 ?
C1Z C2Z 3_565 1.505(19) ?
C1Z H1Z1 . 0.99 ?
C1Z H1Z2 . 0.99 ?
C2Z C1Z 3_565 1.505(19) ?
C2Z C3Z . 1.55(2) ?
C2Z H2Z1 . 0.99 ?
C2Z H2Z2 . 0.99 ?
C3Z H3Z1 . 0.99 ?
C3Z H3Z2 . 0.99 ?
N2 O6 . 1.12(2) ?
N2 O4 . 1.27(2) ?
N2 O5 . 1.30(3) ?
O1 C1 . 1.4300(10) ?
O1 H1 . 0.84 ?
C1 H1A . 0.98 ?
C1 H1B . 0.98 ?
C1 H1C . 0.98 ?
C2 O2 . 1.4299(11) ?
C2 H2J . 0.98 ?
C2 H2K . 0.98 ?
C2 H2L . 0.98 ?
O2 H2 . 0.84 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au1 S1 . . 171.8(3) ?
P1 Au1 Au3 . . 109.6(2) ?
S1 Au1 Au3 . . 78.60(15) ?
P1 Au1 Au2 . . 115.67(13) ?
S1 Au1 Au2 . . 68.83(13) ?
Au3 Au1 Au2 . . 51.012(17) ?
P2 Au2 Au3 . . 176.35(9) ?
P2 Au2 Au4 . . 118.27(9) ?
Au3 Au2 Au4 . . 63.077(19) ?
P2 Au2 Au4 . 3_565 122.57(9) ?
Au3 Au2 Au4 . 3_565 61.067(18) ?
Au4 Au2 Au4 . 3_565 55.427(19) ?
P2 Au2 Au1 . . 114.82(10) ?
Au3 Au2 Au1 . . 61.76(2) ?
Au4 Au2 Au1 . . 108.80(2) ?
Au4 Au2 Au1 3_565 . 120.67(2) ?
P3 Au3 Au2 . . 165.42(10) ?
P3 Au3 Au4 . 3_565 123.00(10) ?
Au2 Au3 Au4 . 3_565 62.664(19) ?
P3 Au3 Au4 . . 133.36(10) ?
Au2 Au3 Au4 . . 61.217(18) ?
Au4 Au3 Au4 3_565 . 55.339(18) ?
P3 Au3 Au1 . . 102.46(10) ?
Au2 Au3 Au1 . . 67.23(2) ?
Au4 Au3 Au1 3_565 . 127.40(3) ?
Au4 Au3 Au1 . . 111.44(2) ?
P4 Au4 Au4 . 3_565 176.76(11) ?
P4 Au4 Au3 . 3_565 115.08(9) ?
Au4 Au4 Au3 3_565 3_565 63.71(2) ?
P4 Au4 Au2 . . 115.12(10) ?
Au4 Au4 Au2 3_565 . 62.66(2) ?
Au3 Au4 Au2 3_565 . 98.38(2) ?
P4 Au4 Au2 . 3_565 120.26(10) ?
Au4 Au4 Au2 3_565 3_565 61.91(2) ?
Au3 Au4 Au2 3_565 3_565 56.267(18) ?
Au2 Au4 Au2 . 3_565 124.573(19) ?
P4 Au4 Au3 . . 120.18(9) ?
Au4 Au4 Au3 3_565 . 60.95(2) ?
Au3 Au4 Au3 3_565 . 124.661(18) ?
Au2 Au4 Au3 . . 55.706(18) ?
Au2 Au4 Au3 3_565 . 96.29(2) ?
C1B P1 C1Y . . 114.6(10) ?
C1B P1 C1A . . 106.3(8) ?
C1Y P1 C1A . . 99.8(9) ?
C1B P1 Au1 . . 115.8(6) ?
C1Y P1 Au1 . . 111.5(7) ?
C1A P1 Au1 . . 107.3(7) ?
C1Z P2 C1D . . 106.7(7) ?
C1Z P2 C1C . . 103.6(7) ?
C1D P2 C1C . . 104.5(7) ?
C1Z P2 Au2 . . 110.1(5) ?
C1D P2 Au2 . . 114.4(5) ?
C1C P2 Au2 . . 116.5(6) ?
C1E P3 C3Z . . 107.8(8) ?
C1E P3 C1F . . 105.4(7) ?
C3Z P3 C1F . . 104.6(7) ?
C1E P3 Au3 . . 114.5(6) ?
C3Z P3 Au3 . . 110.0(5) ?
C1F P3 Au3 . . 113.9(5) ?
C1H P4 C1G . . 103.2(8) ?
C1H P4 C3Y . . 104.7(8) ?
C1G P4 C3Y . . 104.5(8) ?
C1H P4 Au4 . . 117.8(5) ?
C1G P4 Au4 . . 114.5(6) ?
C3Y P4 Au4 . . 110.8(6) ?
C1I S1 Au1 . . 108.3(10) ?
C4I N1 C3I . . 125.(3) ?
C2A C1A C6A . . 118.(2) ?
C2A C1A P1 . . 124.5(17) ?
C6A C1A P1 . . 117.0(17) ?
C1A C2A C3A . . 124.(2) ?
C1A C2A H2A . . 117.9 ?
C3A C2A H2A . . 117.9 ?
C4A C3A C2A . . 119.(2) ?
C4A C3A H3A . . 120.3 ?
C2A C3A H3A . . 120.3 ?
C5A C4A C3A . . 117.(2) ?
C5A C4A H4A . . 121.7 ?
C3A C4A H4A . . 121.7 ?
C4A C5A C6A . . 125.(2) ?
C4A C5A H5A . . 117.5 ?
C6A C5A H5A . . 117.5 ?
C5A C6A C1A . . 116.(2) ?
C5A C6A H6A . . 121.8 ?
C1A C6A H6A . . 121.8 ?
C6B C1B C2B . . 117.4(19) ?
C6B C1B P1 . . 123.1(16) ?
C2B C1B P1 . . 119.3(14) ?
C3B C2B C1B . . 120.5(17) ?
C3B C2B H2B . . 119.7 ?
C1B C2B H2B . . 119.7 ?
C2B C3B C4B . . 120.(2) ?
C2B C3B H3B . . 119.8 ?
C4B C3B H3B . . 119.8 ?
C5B C4B C3B . . 118.(2) ?
C5B C4B H4B . . 120.8 ?
C3B C4B H4B . . 120.8 ?
C6B C5B C4B . . 121.(2) ?
C6B C5B H5B . . 119.7 ?
C4B C5B H5B . . 119.7 ?
C5B C6B C1B . . 123.(2) ?
C5B C6B H6B . . 118.7 ?
C1B C6B H6B . . 118.7 ?
C2C C1C C6C . . 120.5(16) ?
C2C C1C P2 . . 118.4(13) ?
C6C C1C P2 . . 120.8(13) ?
C1C C2C C3C . . 118.9(18) ?
C1C C2C H2C . . 120.5 ?
C3C C2C H2C . . 120.5 ?
C4C C3C C2C . . 120.4(19) ?
C4C C3C H3C . . 119.8 ?
C2C C3C H3C . . 119.8 ?
C5C C4C C3C . . 121.3(19) ?
C5C C4C H4C . . 119.3 ?
C3C C4C H4C . . 119.3 ?
C4C C5C C6C . . 119.(2) ?
C4C C5C H5C . . 120.7 ?
C6C C5C H5C . . 120.7 ?
C5C C6C C1C . . 120.0(18) ?
C5C C6C H6C . . 120.0 ?
C1C C6C H6C . . 120.0 ?
C2D C1D C6D . . 118.9(14) ?
C2D C1D P2 . . 119.3(11) ?
C6D C1D P2 . . 121.8(12) ?
C3D C2D C1D . . 120.9(16) ?
C3D C2D H2D . . 119.6 ?
C1D C2D H2D . . 119.6 ?
C2D C3D C4D . . 119.2(17) ?
C2D C3D H3D . . 120.4 ?
C4D C3D H3D . . 120.4 ?
C5D C4D C3D . . 120.4(16) ?
C5D C4D H4D . . 119.8 ?
C3D C4D H4D . . 119.8 ?
C4D C5D C6D . . 122.6(16) ?
C4D C5D H5D . . 118.7 ?
C6D C5D H5D . . 118.7 ?
C5D C6D C1D . . 118.0(16) ?
C5D C6D H6D . . 121.0 ?
C1D C6D H6D . . 121.0 ?
C6E C1E C2E . . 119.0(16) ?
C6E C1E P3 . . 122.5(13) ?
C2E C1E P3 . . 118.5(14) ?
C1E C2E C3E . . 121.0(19) ?
C1E C2E H2E . . 119.5 ?
C3E C2E H2E . . 119.5 ?
C4E C3E C2E . . 121.(2) ?
C4E C3E H3E . . 119.6 ?
C2E C3E H3E . . 119.6 ?
C3E C4E C5E . . 120.(2) ?
C3E C4E H4E . . 120.0 ?
C5E C4E H4E . . 120.0 ?
C6E C5E C4E . . 119.(2) ?
C6E C5E H5E . . 120.4 ?
C4E C5E H5E . . 120.4 ?
C1E C6E C5E . . 119.8(18) ?
C1E C6E H6E . . 120.1 ?
C5E C6E H6E . . 120.1 ?
C2F C1F C6F . . 116.4(16) ?
C2F C1F P3 . . 125.2(13) ?
C6F C1F P3 . . 118.3(13) ?
C1F C2F C3F . . 123.0(17) ?
C1F C2F H2F . . 118.5 ?
C3F C2F H2F . . 118.5 ?
C2F C3F C4F . . 119.9(17) ?
C2F C3F H3F . . 120.1 ?
C4F C3F H3F . . 120.1 ?
C5F C4F C3F . . 118.5(18) ?
C5F C4F H4F . . 120.8 ?
C3F C4F H4F . . 120.8 ?
C4F C5F C6F . . 121.4(19) ?
C4F C5F H5F . . 119.3 ?
C6F C5F H5F . . 119.3 ?
C1F C6F C5F . . 120.8(18) ?
C1F C6F H6F . . 119.6 ?
C5F C6F H6F . . 119.6 ?
C6G C1G C2G . . 119.6(16) ?
C6G C1G P4 . . 119.9(12) ?
C2G C1G P4 . . 120.5(14) ?
C3G C2G C1G . . 119.5(18) ?
C3G C2G H2G . . 120.3 ?
C1G C2G H2G . . 120.3 ?
C4G C3G C2G . . 119.2(17) ?
C4G C3G H3G . . 120.4 ?
C2G C3G H3G . . 120.4 ?
C3G C4G C5G . . 123.9(18) ?
C3G C4G H4G . . 118.1 ?
C5G C4G H4G . . 118.1 ?
C4G C5G C6G . . 115.8(19) ?
C4G C5G H5G . . 122.1 ?
C6G C5G H5G . . 122.1 ?
C1G C6G C5G . . 122.0(17) ?
C1G C6G H6G . . 119.0 ?
C5G C6G H6G . . 119.0 ?
C6H C1H C2H . . 120.3(15) ?
C6H C1H P4 . . 118.0(13) ?
C2H C1H P4 . . 121.7(13) ?
C3H C2H C1H . . 120.6(17) ?
C3H C2H H2H . . 119.7 ?
C1H C2H H2H . . 119.7 ?
C2H C3H C4H . . 119.8(18) ?
C2H C3H H3H . . 120.1 ?
C4H C3H H3H . . 120.1 ?
C5H C4H C3H . . 120.5(18) ?
C5H C4H H4H . . 119.8 ?
C3H C4H H4H . . 119.8 ?
C4H C5H C6H . . 120.7(19) ?
C4H C5H H5H . . 119.6 ?
C6H C5H H5H . . 119.6 ?
C1H C6H C5H . . 118.1(17) ?
C1H C6H H6H . . 121.0 ?
C5H C6H H6H . . 121.0 ?
C5I C1I C2I . . 117.(3) ?
C5I C1I S1 . . 126.(2) ?
C2I C1I S1 . . 117.(2) ?
C3I C2I C1I . . 117.(3) ?
C3I C2I H2I . . 121.6 ?
C1I C2I H2I . . 121.6 ?
N1 C3I C2I . . 124.(3) ?
N1 C3I H3I . . 117.8 ?
C2I C3I H3I . . 117.8 ?
N1 C4I C5I . . 114.(3) ?
N1 C4I H4I . . 123.1 ?
C5I C4I H4I . . 123.1 ?
C1I C5I C4I . . 123.(3) ?
C1I C5I H5I . . 118.4 ?
C4I C5I H5I . . 118.4 ?
C2Y C1Y P1 . . 104.6(14) ?
C2Y C1Y H1Y1 . . 110.8 ?
P1 C1Y H1Y1 . . 110.8 ?
C2Y C1Y H1Y2 . . 110.8 ?
P1 C1Y H1Y2 . . 110.8 ?
H1Y1 C1Y H1Y2 . . 108.9 ?
C1Y C2Y C3Y . . 107.2(16) ?
C1Y C2Y H2Y1 . . 110.3 ?
C3Y C2Y H2Y1 . . 110.3 ?
C1Y C2Y H2Y2 . . 110.3 ?
C3Y C2Y H2Y2 . . 110.3 ?
H2Y1 C2Y H2Y2 . . 108.5 ?
C2Y C3Y P4 . . 104.8(11) ?
C2Y C3Y H3Y1 . . 110.8 ?
P4 C3Y H3Y1 . . 110.8 ?
C2Y C3Y H3Y2 . . 110.8 ?
P4 C3Y H3Y2 . . 110.8 ?
H3Y1 C3Y H3Y2 . . 108.9 ?
C2Z C1Z P2 3_565 . 114.6(10) ?
C2Z C1Z H1Z1 3_565 . 108.6 ?
P2 C1Z H1Z1 . . 108.6 ?
C2Z C1Z H1Z2 3_565 . 108.6 ?
P2 C1Z H1Z2 . . 108.6 ?
H1Z1 C1Z H1Z2 . . 107.6 ?
C1Z C2Z C3Z 3_565 . 113.5(11) ?
C1Z C2Z H2Z1 3_565 . 108.9 ?
C3Z C2Z H2Z1 . . 108.9 ?
C1Z C2Z H2Z2 3_565 . 108.9 ?
C3Z C2Z H2Z2 . . 108.9 ?
H2Z1 C2Z H2Z2 . . 107.7 ?
C2Z C3Z P3 . . 114.3(9) ?
C2Z C3Z H3Z1 . . 108.7 ?
P3 C3Z H3Z1 . . 108.7 ?
C2Z C3Z H3Z2 . . 108.7 ?
P3 C3Z H3Z2 . . 108.7 ?
H3Z1 C3Z H3Z2 . . 107.6 ?
O6 N2 O4 . . 125.(3) ?
O6 N2 O5 . . 120.(2) ?
O4 N2 O5 . . 115.0(17) ?
C1 O1 H1 . . 109.5 ?
O1 C1 H1A . . 109.5 ?
O1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
O1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
O2 C2 H2J . . 109.5 ?
O2 C2 H2K . . 109.5 ?
H2J C2 H2K . . 109.5 ?
O2 C2 H2L . . 109.5 ?
H2J C2 H2L . . 109.5 ?
H2K C2 H2L . . 109.5 ?
C2 O2 H2 . . 109.5 ?

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1477151'
_audit_update_record             
;
2016-04-28 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2'
_chemical_formula_iupac          ?
_chemical_formula_weight         3823.23

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   33.432(6)
_cell_length_b                   17.913(3)
_cell_length_c                   24.121(4)
_cell_angle_alpha                90
_cell_angle_beta                 102.277(2)
_cell_angle_gamma                90
_cell_volume                     14115.(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3582
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      26.51
_cell_measurement_temperature    90.0(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.070
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7216

_exptl_absorpt_coefficient_mu    8.531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.22
_exptl_absorpt_correction_T_max  0.59

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90.0(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            24289
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_unetI/netI     0.1175
_diffrn_reflns_theta_min         1.25
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.979
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27

_refine_special_details          SQUEEZE

_reflns_number_total             12217
_reflns_number_gt                7689
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1178
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_gt          0.1743
_refine_ls_wR_factor_ref         0.2099
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.040
_refine_ls_number_reflns         12217
_refine_ls_number_parameters     696
_refine_ls_number_restraints     1001
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1081P)²+0.5072P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.443
_refine_diff_density_min         -3.480
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker SMART APEXII'
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XSHELL V6.3.1 (BruekrAXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.84287(2) 0.12460(4) 0.90315(3) 0.0329(2) Uani d U . . 1.0 . .
Au Au2 0.78318(2) 0.12726(4) 0.98389(3) 0.0271(2) Uani d U . . 1.0 . .
Au Au3 0.80878(2) 0.25742(4) 0.95179(3) 0.0285(2) Uani d U . . 1.0 . .
Au Au4 0.72446(2) 0.24494(4) 0.95033(3) 0.02676(19) Uani d U . . 1.0 . .
P P1 0.8043(2) 0.0960(3) 0.8164(2) 0.0565(17) Uani d U . D 1.0 . .
P P2 0.77969(16) 0.0055(3) 1.01680(19) 0.0316(11) Uani d U . . 1.0 . .
P P3 0.83637(15) 0.3687(3) 0.92744(18) 0.0293(11) Uani d U . . 1.0 . .
P P4 0.67986(17) 0.2398(3) 0.86307(19) 0.0369(12) Uani d U . D 1.0 . .
S S1 0.89155(19) 0.1398(3) 0.9864(2) 0.0505(14) Uani d U . . 1.0 . .
C C1A 0.7912(7) -0.0012(11) 0.8092(8) 0.047(4) Uani d U . . 1.0 . .
C C2A 0.8159(7) -0.0528(11) 0.8485(8) 0.046(5) Uani d U . . 1.0 . .
H H2A 0.8389 -0.0353 0.8756 0.055 Uiso calc U . R 1.0 . .
C C3A 0.8054(7) -0.1293(11) 0.8463(8) 0.048(5) Uani d U . . 1.0 . .
H H3A 0.8193 -0.163 0.8742 0.057 Uiso calc U . R 1.0 . .
C C4A 0.7752(6) -0.1538(12) 0.8037(8) 0.043(4) Uani d U . . 1.0 . .
H H4A 0.7708 -0.2061 0.7992 0.052 Uiso calc U . R 1.0 . .
C C5A 0.7503(7) -0.1059(12) 0.7663(9) 0.051(5) Uani d U . . 1.0 . .
H H5A 0.7274 -0.1247 0.7397 0.062 Uiso calc U . R 1.0 . .
C C6A 0.7594(7) -0.0291(12) 0.7683(9) 0.050(5) Uani d U . . 1.0 . .
H H6A 0.7436 0.0037 0.7413 0.061 Uiso calc U . R 1.0 . .
C C1B 0.8377(6) 0.1173(10) 0.7600(7) 0.083(6) Uani d U . G 1.0 . .
C C2B 0.8798(7) 0.1145(10) 0.7798(6) 0.097(7) Uani d U . G 1.0 . .
H H2B 0.8909 0.1039 0.8186 0.117 Uiso calc U . R 1.0 . .
C C3B 0.9058(5) 0.1272(11) 0.7428(9) 0.118(8) Uani d U . G 1.0 . .
H H3B 0.9346 0.1253 0.7563 0.142 Uiso calc U . R 1.0 . .
C C4B 0.8896(7) 0.1427(11) 0.6860(8) 0.121(8) Uani d U . G 1.0 . .
H H4B 0.9073 0.1514 0.6607 0.145 Uiso calc U . R 1.0 . .
C C5B 0.8474(7) 0.1455(10) 0.6662(5) 0.080(6) Uani d U . G 1.0 . .
H H5B 0.8363 0.1561 0.6274 0.096 Uiso calc U . R 1.0 . .
C C6B 0.8214(5) 0.1328(10) 0.7032(7) 0.106(7) Uani d U . G 1.0 . .
H H6B 0.7926 0.1347 0.6897 0.127 Uiso calc U . R 1.0 . .
C C1C 0.7417(6) -0.0551(10) 0.9746(7) 0.034(4) Uani d U . . 1.0 . .
C C2C 0.7298(7) -0.0433(12) 0.9176(7) 0.043(4) Uani d U . . 1.0 . .
H H2C 0.7406 -0.0015 0.9015 0.052 Uiso calc U . R 1.0 . .
C C3C 0.7029(7) -0.0893(12) 0.8825(9) 0.051(5) Uani d U . . 1.0 . .
H H3C 0.6942 -0.0776 0.8434 0.061 Uiso calc U . R 1.0 . .
C C4C 0.6888(7) -0.1517(12) 0.9040(9) 0.055(5) Uani d U . . 1.0 . .
H H4C 0.671 -0.1852 0.8799 0.066 Uiso calc U . R 1.0 . .
C C5C 0.7005(8) -0.1657(13) 0.9607(10) 0.064(5) Uani d U . . 1.0 . .
H H5C 0.6906 -0.2088 0.9763 0.077 Uiso calc U . R 1.0 . .
C C6C 0.7270(7) -0.1171(10) 0.9959(8) 0.047(5) Uani d U . . 1.0 . .
H H6C 0.7349 -0.1275 1.0354 0.057 Uiso calc U . R 1.0 . .
C C1D 0.8272(7) -0.0452(11) 1.0249(8) 0.039(4) Uani d U . . 1.0 . .
C C2D 0.8296(6) -0.1153(10) 0.9971(8) 0.038(4) Uani d U . . 1.0 . .
H H2D 0.8063 -0.1377 0.9736 0.046 Uiso calc U . R 1.0 . .
C C3D 0.8679(7) -0.1488(11) 1.0063(8) 0.046(5) Uani d U . . 1.0 . .
H H3D 0.8691 -0.1972 0.9908 0.055 Uiso calc U . R 1.0 . .
C C4D 0.9025(7) -0.1204(12) 1.0343(9) 0.055(5) Uani d U . . 1.0 . .
H H4D 0.9275 -0.1465 1.0366 0.066 Uiso calc U . R 1.0 . .
C C5D 0.9018(7) -0.0478(13) 1.0617(10) 0.056(5) Uani d U . . 1.0 . .
H H5D 0.9259 -0.0253 1.0833 0.067 Uiso calc U . R 1.0 . .
C C6D 0.8624(7) -0.0125(12) 1.0541(9) 0.048(5) Uani d U . . 1.0 . .
H H6D 0.8608 0.0356 1.07 0.057 Uiso calc U . R 1.0 . .
C C1E 0.8856(6) 0.3935(11) 0.9722(8) 0.038(4) Uani d U . . 1.0 . .
C C2E 0.9025(8) 0.4636(14) 0.9676(10) 0.066(6) Uani d U . . 1.0 . .
H H2E 0.888 0.5015 0.9441 0.079 Uiso calc U . R 1.0 . .
C C3E 0.9417(9) 0.4748(16) 0.9992(11) 0.083(6) Uani d U . . 1.0 . .
H H3E 0.9573 0.5156 0.9901 0.1 Uiso calc U . R 1.0 . .
C C4E 0.9584(8) 0.4290(15) 1.0429(11) 0.069(6) Uani d U . . 1.0 . .
H H4E 0.9831 0.4433 1.0682 0.083 Uiso calc U . R 1.0 . .
C C5E 0.9404(7) 0.3631(13) 1.0510(9) 0.055(5) Uani d U . . 1.0 . .
H H5E 0.9524 0.3308 1.0812 0.066 Uiso calc U . R 1.0 . .
C C6E 0.9044(6) 0.3442(11) 1.0144(8) 0.039(4) Uani d U . . 1.0 . .
H H6E 0.8922 0.2971 1.018 0.046 Uiso calc U . R 1.0 . .
C C1F 0.8439(6) 0.3785(10) 0.8550(7) 0.034(4) Uani d U . . 1.0 . .
C C2F 0.8456(6) 0.4487(11) 0.8301(8) 0.040(4) Uani d U . . 1.0 . .
H H2F 0.8393 0.4924 0.8489 0.048 Uiso calc U . R 1.0 . .
C C3F 0.8565(6) 0.4544(11) 0.7785(7) 0.042(4) Uani d U . . 1.0 . .
H H3F 0.8579 0.5022 0.762 0.05 Uiso calc U . R 1.0 . .
C C4F 0.8656(7) 0.3898(12) 0.7496(8) 0.048(5) Uani d U . . 1.0 . .
H H4F 0.8727 0.3936 0.7135 0.058 Uiso calc U . R 1.0 . .
C C5F 0.8641(6) 0.3214(11) 0.7751(8) 0.040(4) Uani d U . . 1.0 . .
H H5F 0.8706 0.2775 0.7568 0.048 Uiso calc U . R 1.0 . .
C C6F 0.8532(6) 0.3160(11) 0.8264(7) 0.035(4) Uani d U . . 1.0 . .
H H6F 0.852 0.2681 0.8428 0.042 Uiso calc U . R 1.0 . .
C C1G 0.6437(4) 0.3167(7) 0.8445(6) 0.043(4) Uani d U . G 1.0 . .
C C2G 0.6083(4) 0.3171(7) 0.8661(5) 0.054(5) Uani d U . G 1.0 . .
H H2G 0.604 0.2793 0.8918 0.065 Uiso calc U . R 1.0 . .
C C3G 0.5792(4) 0.3729(9) 0.8501(6) 0.060(5) Uani d U . G 1.0 . .
H H3G 0.555 0.3732 0.8648 0.072 Uiso calc U . R 1.0 . .
C C4G 0.5855(5) 0.4283(7) 0.8125(7) 0.072(6) Uani d U . G 1.0 . .
H H4G 0.5656 0.4664 0.8016 0.087 Uiso calc U . R 1.0 . .
C C5G 0.6209(5) 0.4279(7) 0.7909(6) 0.079(6) Uani d U . G 1.0 . .
H H5G 0.6252 0.4658 0.7652 0.095 Uiso calc U . R 1.0 . .
C C6G 0.6500(4) 0.3721(9) 0.8069(6) 0.064(5) Uani d U . G 1.0 . .
H H6G 0.6742 0.3719 0.7922 0.077 Uiso calc U . R 1.0 . .
C C1H 0.6476(7) 0.1558(12) 0.8528(9) 0.052(5) Uani d U . . 1.0 . .
C C2H 0.6157(8) 0.1513(15) 0.8030(10) 0.071(6) Uani d U . . 1.0 . .
H H2H 0.6114 0.1885 0.7743 0.085 Uiso calc U . R 1.0 . .
C C3H 0.5908(8) 0.0862(14) 0.8002(11) 0.075(6) Uani d U . . 1.0 . .
H H3H 0.5683 0.0797 0.7691 0.09 Uiso calc U . R 1.0 . .
C C4H 0.5991(8) 0.0316(14) 0.8428(10) 0.065(6) Uani d U . . 1.0 . .
H H4H 0.5815 -0.0105 0.84 0.078 Uiso calc U . R 1.0 . .
C C5H 0.6309(7) 0.0360(13) 0.8874(10) 0.056(5) Uani d U . . 1.0 . .
H H5H 0.6365 -0.0036 0.9142 0.067 Uiso calc U . R 1.0 . .
C C6H 0.6555(7) 0.0997(13) 0.8940(10) 0.057(5) Uani d U . . 1.0 . .
H H6H 0.6774 0.1049 0.9261 0.068 Uiso calc U . R 1.0 . .
C C1I 0.9345(5) 0.1794(10) 0.9693(10) 0.080(6) Uani d U . G 1.0 . .
C C2I 0.9668(7) 0.1853(11) 1.0161(7) 0.106(7) Uani d U . G 1.0 . .
H H2I 0.9646 0.1632 1.0512 0.127 Uiso calc U . R 1.0 . .
C C3I 1.0022(6) 0.2233(12) 1.0117(9) 0.113(8) Uani d U . G 1.0 . .
H H3I 1.0242 0.2273 1.0437 0.136 Uiso calc U . R 1.0 . .
N N1 1.0054(6) 0.2555(10) 0.9604(11) 0.121(7) Uani d U . G 1.0 . .
H H6I 1.0278 0.2796 0.9576 0.146 Uiso calc U . R 1.0 . .
C C4I 0.9731(8) 0.2496(11) 0.9135(8) 0.126(8) Uani d U . G 1.0 . .
H H4I 0.9753 0.2716 0.8784 0.151 Uiso calc U . R 1.0 . .
C C5I 0.9377(6) 0.2116(12) 0.9179(8) 0.109(8) Uani d U . G 1.0 . .
H H5I 0.9157 0.2075 0.8859 0.131 Uiso calc U . R 1.0 . .
C C1Y 0.7508(7) 0.1300(16) 0.8106(16) 0.042(6) Uani d U P D 0.50(2) A 1
H H1Y1 0.7332 0.1135 0.7743 0.05 Uiso calc U P R 0.50(2) A 1
H H1Y2 0.7393 0.1102 0.8422 0.05 Uiso calc U P R 0.50(2) A 1
C C2Y 0.7530(7) 0.2155(16) 0.8132(15) 0.037(6) Uani d U P D 0.50(2) A 1
H H2Y1 0.7694 0.2327 0.8502 0.045 Uiso calc U P R 0.50(2) A 1
H H2Y2 0.7651 0.2358 0.7823 0.045 Uiso calc U P R 0.50(2) A 1
C C4Y 0.7639(9) 0.1591(19) 0.7845(13) 0.042(6) Uani d U P D 0.50(2) A 2
H H4Y1 0.7746 0.2106 0.7842 0.05 Uiso calc U P R 0.50(2) A 2
H H4Y2 0.7521 0.1439 0.7449 0.05 Uiso calc U P R 0.50(2) A 2
C C5Y 0.7313(11) 0.1551(15) 0.8206(14) 0.036(6) Uani d U P D 0.50(2) A 2
H H5Y1 0.7438 0.15 0.8615 0.044 Uiso calc U P R 0.50(2) A 2
H H5Y2 0.7119 0.1134 0.8087 0.044 Uiso calc U P DR 0.50(2) A 2
C C3Y 0.7085(6) 0.2383(11) 0.8060(7) 0.048(4) Uani d U . D 1.0 . .
H H3Y1 0.6929 0.2054 0.776 0.058 Uiso calc U . DR 1.0 A 1
H H3Y2 0.7065 0.2893 0.7899 0.058 Uiso calc U . R 1.0 A 1
C C1Z 0.7713(6) 0.0051(9) 1.0894(7) 0.031(4) Uani d U . . 1.0 . .
H H1Z1 0.7613 -0.0449 1.0976 0.037 Uiso calc U . R 1.0 . .
H H1Z2 0.7978 0.0136 1.116 0.037 Uiso calc U . R 1.0 . .
C C2Z 0.7593(5) 0.4363(9) 0.8991(7) 0.028(4) Uani d U . . 1.0 . .
H H2Z1 0.7614 0.4397 0.8588 0.034 Uiso calc U . R 1.0 . .
H H2Z2 0.7488 0.386 0.9052 0.034 Uiso calc U . R 1.0 . .
C C3Z 0.8023(5) 0.4449(9) 0.9366(7) 0.029(4) Uani d U . . 1.0 . .
H H3Z1 0.8 0.447 0.9769 0.035 Uiso calc U . R 1.0 . .
H H3Z2 0.8142 0.4927 0.9274 0.035 Uiso calc U . R 1.0 . .
B B1 0.3224(12) 0.153(2) 0.8703(15) 0.080(8) Uani d U . . 1.0 . .
F F1 0.3458(5) 0.1126(7) 0.9067(5) 0.079(5) Uani d U . . 1.0 . .
F F2 0.2983(6) 0.2048(9) 0.8938(7) 0.111(6) Uani d U . . 1.0 . .
F F3 0.2927(7) 0.1000(10) 0.8412(10) 0.153(8) Uani d U . . 1.0 . .
F F4 0.3357(5) 0.1893(10) 0.8298(6) 0.101(5) Uani d U . . 1.0 . .
C C1 0.986(2) 0.472(4) 0.780(2) 0.12(2) Uani d U P D 0.5 B -1
H H1A 0.9617 0.4738 0.749 0.182 Uiso calc U P R 0.5 B -1
H H1B 1.0059 0.4366 0.7701 0.182 Uiso calc U P R 0.5 B -1
H H1C 0.9987 0.5222 0.7845 0.182 Uiso calc U P R 0.5 B -1
O O1 0.9750(16) 0.450(3) 0.8317(19) 0.151(18) Uani d U P D 0.5 B -1
H H1 0.9781 0.486 0.8544 0.226 Uiso calc U P R 0.5 B -1
C C6 0.477(3) 0.534(6) 0.850(6) 0.66(3) Uani d U . D 1.0 . .
H H6J 0.457 0.5136 0.817 0.794 Uiso calc U . R 1.0 . .
H H6K 0.4609 0.5719 0.8664 0.794 Uiso calc U . R 1.0 . .
Cl Cl1 0.4800(17) 0.459(3) 0.900(2) 0.75(3) Uani d U . D 1.0 . .
Cl Cl2 0.5089(14) 0.589(3) 0.8182(18) 0.58(2) Uani d U . D 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 . 2.270(5) ?
Au1 S1 . 2.316(6) ?
Au1 Au3 . 2.9838(10) ?
Au1 Au2 . 3.0708(10) ?
Au2 P2 . 2.331(4) ?
Au2 Au3 . 2.6552(10) ?
Au2 Au4 7_657 2.8277(9) ?
Au2 Au4 . 2.8770(10) ?
Au3 P3 . 2.324(5) ?
Au3 Au4 7_657 2.8156(9) ?
Au3 Au4 . 2.8205(11) ?
Au4 P4 . 2.308(5) ?
Au4 Au4 7_657 2.6363(13) ?
Au4 Au3 7_657 2.8156(9) ?
Au4 Au2 7_657 2.8278(10) ?
P1 C1A . 1.79(2) ?
P1 C4Y . 1.804(18) ?
P1 C1Y . 1.866(19) ?
P1 C1B . 1.971(15) ?
P2 C1D . 1.80(2) ?
P2 C1C . 1.81(2) ?
P2 C1Z . 1.833(16) ?
P3 C3Z . 1.822(17) ?
P3 C1E . 1.82(2) ?
P3 C1F . 1.827(17) ?
P4 C1G . 1.826(12) ?
P4 C3Y . 1.838(14) ?
P4 C1H . 1.84(2) ?
S1 C1I . 1.730(16) ?
C1A C6A . 1.38(3) ?
C1A C2A . 1.45(3) ?
C2A C3A . 1.41(3) ?
C2A H2A . 0.95 ?
C3A C4A . 1.35(3) ?
C3A H3A . 0.95 ?
C4A C5A . 1.39(3) ?
C4A H4A . 0.95 ?
C5A C6A . 1.41(3) ?
C5A H5A . 0.95 ?
C6A H6A . 0.95 ?
C1B C2B . 1.39 ?
C1B C6B . 1.39 ?
C2B C3B . 1.39 ?
C2B H2B . 0.95 ?
C3B C4B . 1.39 ?
C3B H3B . 0.95 ?
C4B C5B . 1.39 ?
C4B H4B . 0.95 ?
C5B C6B . 1.39 ?
C5B H5B . 0.95 ?
C6B H6B . 0.95 ?
C1C C6C . 1.36(2) ?
C1C C2C . 1.36(2) ?
C2C C3C . 1.37(3) ?
C2C H2C . 0.95 ?
C3C C4C . 1.36(3) ?
C3C H3C . 0.95 ?
C4C C5C . 1.36(3) ?
C4C H4C . 0.95 ?
C5C C6C . 1.39(3) ?
C5C H5C . 0.95 ?
C6C H6C . 0.95 ?
C1D C6D . 1.37(3) ?
C1D C2D . 1.43(2) ?
C2D C3D . 1.39(3) ?
C2D H2D . 0.95 ?
C3D C4D . 1.31(3) ?
C3D H3D . 0.95 ?
C4D C5D . 1.46(3) ?
C4D H4D . 0.95 ?
C5D C6D . 1.44(3) ?
C5D H5D . 0.95 ?
C6D H6D . 0.95 ?
C1E C6E . 1.39(2) ?
C1E C2E . 1.39(3) ?
C2E C3E . 1.38(3) ?
C2E H2E . 0.95 ?
C3E C4E . 1.36(3) ?
C3E H3E . 0.95 ?
C4E C5E . 1.36(3) ?
C4E H4E . 0.95 ?
C5E C6E . 1.37(3) ?
C5E H5E . 0.95 ?
C6E H6E . 0.95 ?
C1F C6F . 1.38(2) ?
C1F C2F . 1.40(3) ?
C2F C3F . 1.37(2) ?
C2F H2F . 0.95 ?
C3F C4F . 1.42(3) ?
C3F H3F . 0.95 ?
C4F C5F . 1.38(3) ?
C4F H4F . 0.95 ?
C5F C6F . 1.36(2) ?
C5F H5F . 0.95 ?
C6F H6F . 0.95 ?
C1G C2G . 1.39 ?
C1G C6G . 1.39 ?
C2G C3G . 1.39 ?
C2G H2G . 0.95 ?
C3G C4G . 1.39 ?
C3G H3G . 0.95 ?
C4G C5G . 1.39 ?
C4G H4G . 0.95 ?
C5G C6G . 1.39 ?
C5G H5G . 0.95 ?
C6G H6G . 0.95 ?
C1H C6H . 1.40(3) ?
C1H C2H . 1.43(3) ?
C2H C3H . 1.43(4) ?
C2H H2H . 0.95 ?
C3H C4H . 1.40(3) ?
C3H H3H . 0.95 ?
C4H C5H . 1.34(3) ?
C4H H4H . 0.95 ?
C5H C6H . 1.40(3) ?
C5H H5H . 0.95 ?
C6H H6H . 0.95 ?
C1I C2I . 1.39 ?
C1I C5I . 1.39 ?
C2I C3I . 1.39 ?
C2I H2I . 0.95 ?
C3I N1 . 1.39 ?
C3I H3I . 0.95 ?
N1 C4I . 1.39 ?
N1 H6I . 0.88 ?
C4I C5I . 1.39 ?
C4I H4I . 0.95 ?
C5I H5I . 0.95 ?
C1Y C2Y . 1.533(19) ?
C1Y H1Y1 . 0.99 ?
C1Y H1Y2 . 0.99 ?
C2Y C3Y . 1.516(19) ?
C2Y H2Y1 . 0.99 ?
C2Y H2Y2 . 0.99 ?
C4Y C5Y . 1.535(19) ?
C4Y H4Y1 . 0.99 ?
C4Y H4Y2 . 0.99 ?
C5Y C3Y . 1.677(14) ?
C5Y H5Y1 . 0.99 ?
C5Y H5Y2 . 0.99 ?
C3Y H3Y1 . 0.99 ?
C3Y H3Y2 . 0.99 ?
C1Z C2Z 7_657 1.53(2) ?
C1Z H1Z1 . 0.99 ?
C1Z H1Z2 . 0.99 ?
C2Z C1Z 7_657 1.53(2) ?
C2Z C3Z . 1.53(2) ?
C2Z H2Z1 . 0.99 ?
C2Z H2Z2 . 0.99 ?
C3Z H3Z1 . 0.99 ?
C3Z H3Z2 . 0.99 ?
B1 F1 . 1.27(4) ?
B1 F4 . 1.33(3) ?
B1 F2 . 1.42(4) ?
B1 F3 . 1.44(4) ?
C1 O1 . 1.44(2) ?
C1 H1A . 0.98 ?
C1 H1B . 0.98 ?
C1 H1C . 0.98 ?
O1 H1 . 0.84 ?
C6 Cl2 . 1.76(2) ?
C6 Cl1 . 1.79(2) ?
C6 H6J . 0.99 ?
C6 H6K . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au1 S1 . . 169.1(2) ?
P1 Au1 Au3 . . 110.67(14) ?
S1 Au1 Au3 . . 79.76(14) ?
P1 Au1 Au2 . . 105.65(19) ?
S1 Au1 Au2 . . 83.11(14) ?
Au3 Au1 Au2 . . 52.00(2) ?
P2 Au2 Au3 . . 164.35(14) ?
P2 Au2 Au4 . 7_657 123.29(11) ?
Au3 Au2 Au4 . 7_657 61.70(3) ?
P2 Au2 Au4 . . 134.46(13) ?
Au3 Au2 Au4 . . 61.15(3) ?
Au4 Au2 Au4 7_657 . 55.04(3) ?
P2 Au2 Au1 . . 106.72(12) ?
Au3 Au2 Au1 . . 62.32(2) ?
Au4 Au2 Au1 7_657 . 121.12(3) ?
Au4 Au2 Au1 . . 109.23(3) ?
P3 Au3 Au2 . . 175.47(13) ?
P3 Au3 Au4 . 7_657 118.25(11) ?
Au2 Au3 Au4 . 7_657 62.16(2) ?
P3 Au3 Au4 . . 120.93(13) ?
Au2 Au3 Au4 . . 63.31(3) ?
Au4 Au3 Au4 7_657 . 55.78(3) ?
P3 Au3 Au1 . . 112.30(12) ?
Au2 Au3 Au1 . . 65.69(3) ?
Au4 Au3 Au1 7_657 . 124.72(3) ?
Au4 Au3 Au1 . . 113.34(3) ?
P4 Au4 Au4 . 7_657 178.33(14) ?
P4 Au4 Au3 . 7_657 118.06(13) ?
Au4 Au4 Au3 7_657 7_657 62.21(3) ?
P4 Au4 Au3 . . 117.70(13) ?
Au4 Au4 Au3 7_657 . 62.02(3) ?
Au3 Au4 Au3 7_657 . 124.22(3) ?
P4 Au4 Au2 . 7_657 115.21(12) ?
Au4 Au4 Au2 7_657 7_657 63.43(3) ?
Au3 Au4 Au2 7_657 7_657 56.13(2) ?
Au3 Au4 Au2 . 7_657 97.95(3) ?
P4 Au4 Au2 . . 119.82(12) ?
Au4 Au4 Au2 7_657 . 61.53(3) ?
Au3 Au4 Au2 7_657 . 96.92(3) ?
Au3 Au4 Au2 . . 55.54(2) ?
Au2 Au4 Au2 7_657 . 124.96(3) ?
C1A P1 C4Y . . 114.9(15) ?
C1A P1 C1Y . . 95.7(12) ?
C1A P1 C1B . . 106.5(8) ?
C4Y P1 C1B . . 93.8(12) ?
C1Y P1 C1B . . 123.9(13) ?
C1A P1 Au1 . . 112.8(7) ?
C4Y P1 Au1 . . 118.6(12) ?
C1Y P1 Au1 . . 110.0(12) ?
C1B P1 Au1 . . 107.4(7) ?
C1D P2 C1C . . 104.8(9) ?
C1D P2 C1Z . . 101.8(8) ?
C1C P2 C1Z . . 107.6(8) ?
C1D P2 Au2 . . 113.7(7) ?
C1C P2 Au2 . . 116.7(6) ?
C1Z P2 Au2 . . 111.0(6) ?
C3Z P3 C1E . . 104.8(9) ?
C3Z P3 C1F . . 105.2(8) ?
C1E P3 C1F . . 104.6(8) ?
C3Z P3 Au3 . . 108.6(6) ?
C1E P3 Au3 . . 114.6(6) ?
C1F P3 Au3 . . 117.8(6) ?
C1G P4 C3Y . . 104.6(8) ?
C1G P4 C1H . . 104.2(9) ?
C3Y P4 C1H . . 105.7(10) ?
C1G P4 Au4 . . 117.4(5) ?
C3Y P4 Au4 . . 110.2(7) ?
C1H P4 Au4 . . 113.8(7) ?
C1I S1 Au1 . . 107.9(8) ?
C6A C1A C2A . . 119.(2) ?
C6A C1A P1 . . 123.7(17) ?
C2A C1A P1 . . 117.5(16) ?
C3A C2A C1A . . 119.(2) ?
C3A C2A H2A . . 120.3 ?
C1A C2A H2A . . 120.3 ?
C4A C3A C2A . . 118.9(19) ?
C4A C3A H3A . . 120.6 ?
C2A C3A H3A . . 120.6 ?
C3A C4A C5A . . 123.(2) ?
C3A C4A H4A . . 118.6 ?
C5A C4A H4A . . 118.6 ?
C4A C5A C6A . . 119.(2) ?
C4A C5A H5A . . 120.4 ?
C6A C5A H5A . . 120.4 ?
C1A C6A C5A . . 120.(2) ?
C1A C6A H6A . . 119.8 ?
C5A C6A H6A . . 119.8 ?
C2B C1B C6B . . 120.0 ?
C2B C1B P1 . . 116.0(12) ?
C6B C1B P1 . . 124.0(12) ?
C1B C2B C3B . . 120.0 ?
C1B C2B H2B . . 120.0 ?
C3B C2B H2B . . 120.0 ?
C4B C3B C2B . . 120.0 ?
C4B C3B H3B . . 120.0 ?
C2B C3B H3B . . 120.0 ?
C3B C4B C5B . . 120.0 ?
C3B C4B H4B . . 120.0 ?
C5B C4B H4B . . 120.0 ?
C4B C5B C6B . . 120.0 ?
C4B C5B H5B . . 120.0 ?
C6B C5B H5B . . 120.0 ?
C5B C6B C1B . . 120.0 ?
C5B C6B H6B . . 120.0 ?
C1B C6B H6B . . 120.0 ?
C6C C1C C2C . . 117.1(19) ?
C6C C1C P2 . . 123.0(15) ?
C2C C1C P2 . . 119.6(15) ?
C1C C2C C3C . . 123.(2) ?
C1C C2C H2C . . 118.6 ?
C3C C2C H2C . . 118.6 ?
C4C C3C C2C . . 120.(2) ?
C4C C3C H3C . . 120.2 ?
C2C C3C H3C . . 120.2 ?
C3C C4C C5C . . 119.(2) ?
C3C C4C H4C . . 120.5 ?
C5C C4C H4C . . 120.5 ?
C4C C5C C6C . . 121.(2) ?
C4C C5C H5C . . 119.7 ?
C6C C5C H5C . . 119.7 ?
C1C C6C C5C . . 120.9(19) ?
C1C C6C H6C . . 119.6 ?
C5C C6C H6C . . 119.6 ?
C6D C1D C2D . . 119.1(19) ?
C6D C1D P2 . . 118.8(15) ?
C2D C1D P2 . . 121.8(17) ?
C3D C2D C1D . . 116.(2) ?
C3D C2D H2D . . 121.8 ?
C1D C2D H2D . . 121.8 ?
C4D C3D C2D . . 127.(2) ?
C4D C3D H3D . . 116.6 ?
C2D C3D H3D . . 116.6 ?
C3D C4D C5D . . 119.(2) ?
C3D C4D H4D . . 120.6 ?
C5D C4D H4D . . 120.6 ?
C6D C5D C4D . . 116.(2) ?
C6D C5D H5D . . 122.1 ?
C4D C5D H5D . . 122.1 ?
C1D C6D C5D . . 123.(2) ?
C1D C6D H6D . . 118.5 ?
C5D C6D H6D . . 118.5 ?
C6E C1E C2E . . 120.(2) ?
C6E C1E P3 . . 119.2(14) ?
C2E C1E P3 . . 120.4(15) ?
C3E C2E C1E . . 116.(2) ?
C3E C2E H2E . . 121.9 ?
C1E C2E H2E . . 121.9 ?
C4E C3E C2E . . 122.(3) ?
C4E C3E H3E . . 119.1 ?
C2E C3E H3E . . 119.1 ?
C5E C4E C3E . . 121.(3) ?
C5E C4E H4E . . 119.6 ?
C3E C4E H4E . . 119.6 ?
C4E C5E C6E . . 119.(2) ?
C4E C5E H5E . . 120.7 ?
C6E C5E H5E . . 120.7 ?
C5E C6E C1E . . 120.7(19) ?
C5E C6E H6E . . 119.7 ?
C1E C6E H6E . . 119.7 ?
C6F C1F C2F . . 118.6(16) ?
C6F C1F P3 . . 119.4(14) ?
C2F C1F P3 . . 121.5(14) ?
C3F C2F C1F . . 119.9(18) ?
C3F C2F H2F . . 120.1 ?
C1F C2F H2F . . 120.1 ?
C2F C3F C4F . . 120.8(18) ?
C2F C3F H3F . . 119.6 ?
C4F C3F H3F . . 119.6 ?
C5F C4F C3F . . 118.3(17) ?
C5F C4F H4F . . 120.9 ?
C3F C4F H4F . . 120.9 ?
C6F C5F C4F . . 120.7(19) ?
C6F C5F H5F . . 119.6 ?
C4F C5F H5F . . 119.6 ?
C5F C6F C1F . . 121.7(18) ?
C5F C6F H6F . . 119.2 ?
C1F C6F H6F . . 119.2 ?
C2G C1G C6G . . 120.0 ?
C2G C1G P4 . . 119.0(8) ?
C6G C1G P4 . . 120.9(8) ?
C3G C2G C1G . . 120.0 ?
C3G C2G H2G . . 120.0 ?
C1G C2G H2G . . 120.0 ?
C4G C3G C2G . . 120.0 ?
C4G C3G H3G . . 120.0 ?
C2G C3G H3G . . 120.0 ?
C3G C4G C5G . . 120.0 ?
C3G C4G H4G . . 120.0 ?
C5G C4G H4G . . 120.0 ?
C6G C5G C4G . . 120.0 ?
C6G C5G H5G . . 120.0 ?
C4G C5G H5G . . 120.0 ?
C5G C6G C1G . . 120.0 ?
C5G C6G H6G . . 120.0 ?
C1G C6G H6G . . 120.0 ?
C6H C1H C2H . . 123.(2) ?
C6H C1H P4 . . 118.3(17) ?
C2H C1H P4 . . 118.2(19) ?
C3H C2H C1H . . 114.(2) ?
C3H C2H H2H . . 122.9 ?
C1H C2H H2H . . 122.9 ?
C4H C3H C2H . . 121.(2) ?
C4H C3H H3H . . 119.6 ?
C2H C3H H3H . . 119.6 ?
C5H C4H C3H . . 123.(2) ?
C5H C4H H4H . . 118.5 ?
C3H C4H H4H . . 118.5 ?
C4H C5H C6H . . 119.(2) ?
C4H C5H H5H . . 120.4 ?
C6H C5H H5H . . 120.4 ?
C5H C6H C1H . . 119.(2) ?
C5H C6H H6H . . 120.4 ?
C1H C6H H6H . . 120.4 ?
C2I C1I C5I . . 120.0 ?
C2I C1I S1 . . 112.1(14) ?
C5I C1I S1 . . 127.4(15) ?
C1I C2I C3I . . 120.0 ?
C1I C2I H2I . . 120.0 ?
C3I C2I H2I . . 120.0 ?
N1 C3I C2I . . 120.0 ?
N1 C3I H3I . . 120.0 ?
C2I C3I H3I . . 120.0 ?
C3I N1 C4I . . 120.0 ?
C3I N1 H6I . . 120.0 ?
C4I N1 H6I . . 120.0 ?
C5I C4I N1 . . 120.0 ?
C5I C4I H4I . . 120.0 ?
N1 C4I H4I . . 120.0 ?
C4I C5I C1I . . 120.0 ?
C4I C5I H5I . . 120.0 ?
C1I C5I H5I . . 120.0 ?
C2Y C1Y P1 . . 106.6(17) ?
C2Y C1Y H1Y1 . . 110.4 ?
P1 C1Y H1Y1 . . 110.4 ?
C2Y C1Y H1Y2 . . 110.4 ?
P1 C1Y H1Y2 . . 110.4 ?
H1Y1 C1Y H1Y2 . . 108.6 ?
C3Y C2Y C1Y . . 103.1(18) ?
C3Y C2Y H2Y1 . . 111.1 ?
C1Y C2Y H2Y1 . . 111.1 ?
C3Y C2Y H2Y2 . . 111.1 ?
C1Y C2Y H2Y2 . . 111.1 ?
H2Y1 C2Y H2Y2 . . 109.1 ?
C5Y C4Y P1 . . 106.6(18) ?
C5Y C4Y H4Y1 . . 110.4 ?
P1 C4Y H4Y1 . . 110.4 ?
C5Y C4Y H4Y2 . . 110.4 ?
P1 C4Y H4Y2 . . 110.4 ?
H4Y1 C4Y H4Y2 . . 108.6 ?
C4Y C5Y C3Y . . 100.6(15) ?
C4Y C5Y H5Y1 . . 111.7 ?
C3Y C5Y H5Y1 . . 111.7 ?
C4Y C5Y H5Y2 . . 111.7 ?
C3Y C5Y H5Y2 . . 111.7 ?
H5Y1 C5Y H5Y2 . . 109.4 ?
C2Y C3Y P4 . . 124.9(17) ?
C5Y C3Y P4 . . 98.1(13) ?
C2Y C3Y H3Y1 . . 106.1 ?
P4 C3Y H3Y1 . . 106.1 ?
C2Y C3Y H3Y2 . . 106.1 ?
P4 C3Y H3Y2 . . 106.1 ?
H3Y1 C3Y H3Y2 . . 106.3 ?
C2Z C1Z P2 7_657 . 114.5(12) ?
C2Z C1Z H1Z1 7_657 . 108.6 ?
P2 C1Z H1Z1 . . 108.6 ?
C2Z C1Z H1Z2 7_657 . 108.6 ?
P2 C1Z H1Z2 . . 108.6 ?
H1Z1 C1Z H1Z2 . . 107.6 ?
C1Z C2Z C3Z 7_657 . 113.7(13) ?
C1Z C2Z H2Z1 7_657 . 108.8 ?
C3Z C2Z H2Z1 . . 108.8 ?
C1Z C2Z H2Z2 7_657 . 108.8 ?
C3Z C2Z H2Z2 . . 108.8 ?
H2Z1 C2Z H2Z2 . . 107.7 ?
C2Z C3Z P3 . . 112.6(11) ?
C2Z C3Z H3Z1 . . 109.1 ?
P3 C3Z H3Z1 . . 109.1 ?
C2Z C3Z H3Z2 . . 109.1 ?
P3 C3Z H3Z2 . . 109.1 ?
H3Z1 C3Z H3Z2 . . 107.8 ?
F1 B1 F4 . . 122.(3) ?
F1 B1 F2 . . 114.(3) ?
F4 B1 F2 . . 106.(3) ?
F1 B1 F3 . . 103.(3) ?
F4 B1 F3 . . 106.(3) ?
F2 B1 F3 . . 103.(3) ?
O1 C1 H1A . . 109.5 ?
O1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
O1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C1 O1 H1 . . 109.5 ?
Cl2 C6 Cl1 . . 139.(6) ?
Cl2 C6 H6J . . 102.2 ?
Cl1 C6 H6J . . 102.2 ?
Cl2 C6 H6K . . 102.2 ?
Cl1 C6 H6K . . 102.2 ?
H6J C6 H6K . . 104.8 ?




