#------------------------------------------------------------------------------
#$Date: 2017-11-23 11:06:27 +0200 (Thu, 23 Nov 2017) $
#$Revision: 203483 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548165.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_1548165
loop_
_publ_author_name
'Jun Yuan'
'Tingting Sun'
'Xin He'
'Ke An'
'Jun Zhu'
'Liang Zhao'
_publ_section_title
;
 Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing
 aromatic indoliums
;
_journal_name_full               'Nature Communications'
_journal_page_first              11489
_journal_paper_doi               10.1038/ncomms11489
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C156 H124 Au8 B2 Cl6 F8 N2 P8'
_chemical_formula_weight         4236.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.59(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.435(3)
_cell_length_b                   15.565(3)
_cell_length_c                   35.747(7)
_cell_measurement_reflns_used    21914
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.2570
_cell_measurement_theta_min      1.1493
_cell_volume                     7410(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1046
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            65974
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    8.142
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4510
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             4020
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.132
_refine_diff_density_min         -2.255
_refine_diff_density_rms         0.282
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         16984
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0874P)²+52.8866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1966
_refine_ls_wR_factor_ref         0.2067
_reflns_number_gt                14871
_reflns_number_total             16984
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ncomms11489-4.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

'_refine_ls_hydrogen_treatment' value 'Constr' changed to 'constr'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1548165
loop_
_symmetry_equiv_pos_as_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'
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 0.03942(3) 0.54284(3) 0.122665(11) 0.03465(12) Uani 1 1 d . . .
Au2 Au 0.12927(3) 0.68050(3) 0.085024(12) 0.03558(12) Uani 1 1 d . . .
Au3 Au 0.30596(3) 0.50051(3) 0.111770(12) 0.03650(13) Uani 1 1 d . . .
Au4 Au 0.28614(3) 0.36698(3) 0.029916(12) 0.03554(12) Uani 1 1 d . . .
N1 N 0.0972(7) 0.5525(7) 0.0712(3) 0.044(2) Uani 1 1 d . . .
C1 C 0.1854(8) 0.5029(7) 0.0716(3) 0.032(2) Uani 1 1 d . . .
C2 C 0.1815(6) 0.4559(6) 0.0399(2) 0.0212(17) Uani 1 1 d . . .
C3 C 0.0903(8) 0.4742(6) 0.0166(3) 0.029(2) Uani 1 1 d . . .
C4 C 0.0358(7) 0.5325(6) 0.0351(3) 0.0276(19) Uani 1 1 d . . .
C5 C 0.0565(7) 0.4382(6) -0.0185(3) 0.028(2) Uani 1 1 d . . .
H5A H 0.0933 0.3974 -0.0298 0.033 Uiso 1 1 calc R . .
P1 P -0.0242(2) 0.5233(2) 0.17779(8) 0.0384(6) Uani 1 1 d . . .
C6 C -0.0939(9) 0.4228(8) 0.1787(4) 0.045(3) Uani 1 1 d . . .
C7 C -0.1464(13) 0.3965(11) 0.1451(5) 0.072(5) Uani 1 1 d . . .
H7A H -0.1444 0.4292 0.1234 0.087 Uiso 1 1 calc R . .
C8 C -0.2034(15) 0.3204(13) 0.1433(8) 0.102(7) Uani 1 1 d . . .
H8A H -0.2456 0.3064 0.1214 0.122 Uiso 1 1 calc R . .
C9 C -0.1962(14) 0.2679(12) 0.1737(7) 0.087(6) Uani 1 1 d . . .
H9A H -0.2260 0.2138 0.1722 0.104 Uiso 1 1 calc R . .
C10 C -0.1437(17) 0.2969(13) 0.2068(8) 0.101(8) Uani 1 1 d . . .
H10A H -0.1431 0.2625 0.2281 0.122 Uiso 1 1 calc R . .
C11 C -0.0914(12) 0.3738(11) 0.2107(5) 0.070(4) Uani 1 1 d . . .
H11A H -0.0566 0.3912 0.2337 0.084 Uiso 1 1 calc R . .
C12 C 0.0751(9) 0.5223(9) 0.2183(3) 0.044(3) Uani 1 1 d . . .
C13 C 0.0540(11) 0.5493(10) 0.2544(4) 0.053(3) Uani 1 1 d . . .
H13A H -0.0102 0.5668 0.2581 0.064 Uiso 1 1 calc R . .
C14 C 0.1335(12) 0.5489(12) 0.2844(4) 0.066(4) Uani 1 1 d . . .
H14A H 0.1212 0.5651 0.3084 0.079 Uiso 1 1 calc R . .
C15 C 0.2277(11) 0.5254(12) 0.2788(4) 0.063(4) Uani 1 1 d . . .
H15A H 0.2804 0.5286 0.2984 0.076 Uiso 1 1 calc R . .
C16 C 0.2443(11) 0.4963(12) 0.2431(5) 0.068(5) Uani 1 1 d . . .
H16A H 0.3079 0.4769 0.2396 0.081 Uiso 1 1 calc R . .
C17 C 0.1699(11) 0.4958(11) 0.2136(4) 0.061(4) Uani 1 1 d . . .
H17A H 0.1833 0.4774 0.1900 0.073 Uiso 1 1 calc R . .
C18 C -0.1121(8) 0.6067(8) 0.1877(3) 0.038(3) Uani 1 1 d . . .
C19 C -0.1086(9) 0.6873(8) 0.1707(3) 0.042(3) Uani 1 1 d . . .
H19A H -0.0613 0.6975 0.1545 0.050 Uiso 1 1 calc R . .
C20 C -0.1744(12) 0.7528(9) 0.1777(4) 0.054(3) Uani 1 1 d . . .
H20A H -0.1717 0.8064 0.1664 0.065 Uiso 1 1 calc R . .
C21 C -0.2422(10) 0.7360(9) 0.2014(4) 0.048(3) Uani 1 1 d . . .
H21A H -0.2859 0.7794 0.2067 0.057 Uiso 1 1 calc R . .
C22 C -0.2492(10) 0.6564(8) 0.2183(4) 0.043(3) Uani 1 1 d . . .
H22A H -0.2967 0.6471 0.2346 0.052 Uiso 1 1 calc R . .
C23 C -0.1856(8) 0.5914(8) 0.2108(3) 0.036(2) Uani 1 1 d . . .
H23A H -0.1917 0.5372 0.2213 0.043 Uiso 1 1 calc R . .
P2 P 0.1712(2) 0.8215(2) 0.09261(9) 0.0403(7) Uani 1 1 d . . .
C24 C 0.1027(10) 0.8818(10) 0.1242(4) 0.053(3) Uani 1 1 d . . .
C25 C 0.0851(15) 0.8470(12) 0.1582(5) 0.078(5) Uani 1 1 d . . .
H25A H 0.1095 0.7924 0.1650 0.094 Uiso 1 1 calc R . .
C26 C 0.0319(17) 0.892(2) 0.1824(7) 0.121(11) Uani 1 1 d . . .
H26A H 0.0223 0.8668 0.2053 0.145 Uiso 1 1 calc R . .
C27 C -0.0056(17) 0.968(2) 0.1739(10) 0.123(12) Uani 1 1 d . . .
H27A H -0.0423 0.9961 0.1906 0.147 Uiso 1 1 calc R . .
C28 C 0.0086(16) 1.008(2) 0.1404(9) 0.130(13) Uani 1 1 d . . .
H28A H -0.0166 1.0627 0.1346 0.156 Uiso 1 1 calc R . .
C29 C 0.0624(13) 0.9631(11) 0.1157(5) 0.075(5) Uani 1 1 d . . .
H29A H 0.0714 0.9883 0.0928 0.090 Uiso 1 1 calc R . .
C30 C 0.1517(10) 0.8779(9) 0.0481(4) 0.050(3) Uani 1 1 d . . .
C31 C 0.2056(12) 0.9501(11) 0.0413(5) 0.074(5) Uani 1 1 d . . .
H31A H 0.2530 0.9724 0.0601 0.089 Uiso 1 1 calc R . .
C32 C 0.1884(19) 0.9903(17) 0.0056(6) 0.130(12) Uani 1 1 d . . .
H32A H 0.2254 1.0384 0.0005 0.156 Uiso 1 1 calc R . .
C33 C 0.1165(16) 0.9574(13) -0.0215(6) 0.093(7) Uani 1 1 d . . .
H33A H 0.1025 0.9855 -0.0445 0.111 Uiso 1 1 calc R . .
C34 C 0.0659(14) 0.8855(11) -0.0154(5) 0.073(5) Uani 1 1 d . . .
H34A H 0.0199 0.8627 -0.0345 0.088 Uiso 1 1 calc R . .
C35 C 0.0821(10) 0.8454(9) 0.0194(4) 0.051(3) Uani 1 1 d . . .
H35A H 0.0461 0.7961 0.0236 0.061 Uiso 1 1 calc R . .
C36 C 0.3029(10) 0.8338(8) 0.1108(3) 0.044(3) Uani 1 1 d . . .
C37 C 0.3383(10) 0.8817(9) 0.1420(4) 0.048(3) Uani 1 1 d . . .
H37A H 0.2935 0.9129 0.1543 0.057 Uiso 1 1 calc R . .
C38 C 0.4403(11) 0.8842(10) 0.1553(4) 0.057(4) Uani 1 1 d . . .
H38A H 0.4627 0.9179 0.1762 0.068 Uiso 1 1 calc R . .
C39 C 0.5067(11) 0.8391(10) 0.1386(4) 0.060(4) Uani 1 1 d . . .
H39A H 0.5747 0.8413 0.1478 0.073 Uiso 1 1 calc R . .
C40 C 0.4733(13) 0.7887(10) 0.1072(4) 0.064(4) Uani 1 1 d . . .
H40A H 0.5188 0.7571 0.0953 0.076 Uiso 1 1 calc R . .
C41 C 0.3696(11) 0.7860(9) 0.0935(4) 0.051(3) Uani 1 1 d . . .
H41A H 0.3466 0.7518 0.0728 0.061 Uiso 1 1 calc R . .
P3 P 0.4473(2) 0.5072(2) 0.15451(9) 0.0423(7) Uani 1 1 d . . .
C42 C 0.5553(10) 0.5306(10) 0.1297(4) 0.050(3) Uani 1 1 d . . .
C43 C 0.5751(12) 0.4701(13) 0.1025(5) 0.068(4) Uani 1 1 d . . .
H43A H 0.5373 0.4199 0.0997 0.082 Uiso 1 1 calc R . .
C44 C 0.6492(14) 0.4830(14) 0.0796(5) 0.079(5) Uani 1 1 d . . .
H44A H 0.6636 0.4420 0.0622 0.094 Uiso 1 1 calc R . .
C45 C 0.7031(11) 0.5634(14) 0.0842(4) 0.074(5) Uani 1 1 d . . .
H45A H 0.7521 0.5755 0.0689 0.088 Uiso 1 1 calc R . .
C46 C 0.6837(11) 0.6209(11) 0.1102(4) 0.062(4) Uani 1 1 d . . .
H46A H 0.7200 0.6719 0.1131 0.075 Uiso 1 1 calc R . .
C47 C 0.6074(11) 0.6038(10) 0.1335(4) 0.058(4) Uani 1 1 d . . .
H47A H 0.5939 0.6441 0.1514 0.070 Uiso 1 1 calc R . .
C48 C 0.4388(10) 0.5896(9) 0.1900(3) 0.044(3) Uani 1 1 d . . .
C49 C 0.3668(12) 0.6537(10) 0.1832(4) 0.059(4) Uani 1 1 d . . .
H49A H 0.3272 0.6567 0.1598 0.070 Uiso 1 1 calc R . .
C50 C 0.3538(14) 0.7119(11) 0.2103(4) 0.065(4) Uani 1 1 d . . .
H50A H 0.3056 0.7546 0.2049 0.079 Uiso 1 1 calc R . .
C51 C 0.4088(17) 0.7100(13) 0.2450(5) 0.086(6) Uani 1 1 d . . .
H51A H 0.4013 0.7522 0.2628 0.104 Uiso 1 1 calc R . .
C52 C 0.4757(14) 0.6439(11) 0.2529(4) 0.067(4) Uani 1 1 d . . .
H52A H 0.5100 0.6382 0.2771 0.080 Uiso 1 1 calc R . .
C53 C 0.4925(11) 0.5862(11) 0.2254(4) 0.058(4) Uani 1 1 d . . .
H53A H 0.5411 0.5439 0.2309 0.069 Uiso 1 1 calc R . .
C54 C 0.4773(10) 0.4096(8) 0.1805(4) 0.046(3) Uani 1 1 d . . .
C55 C 0.4013(11) 0.3555(10) 0.1870(4) 0.056(4) Uani 1 1 d . . .
H55A H 0.3358 0.3668 0.1761 0.067 Uiso 1 1 calc R . .
C56 C 0.4217(13) 0.2836(10) 0.2098(4) 0.063(4) Uani 1 1 d . . .
H56A H 0.3698 0.2469 0.2141 0.076 Uiso 1 1 calc R . .
C57 C 0.5170(16) 0.2666(13) 0.2258(5) 0.087(6) Uani 1 1 d . . .
H57A H 0.5293 0.2183 0.2410 0.104 Uiso 1 1 calc R . .
C58 C 0.5938(14) 0.3182(13) 0.2201(5) 0.081(6) Uani 1 1 d . . .
H58A H 0.6581 0.3063 0.2320 0.098 Uiso 1 1 calc R . .
C59 C 0.5777(12) 0.3890(13) 0.1965(4) 0.069(5) Uani 1 1 d . . .
H59A H 0.6313 0.4225 0.1912 0.083 Uiso 1 1 calc R . .
P4 P 0.3897(2) 0.26097(19) 0.01728(9) 0.0366(6) Uani 1 1 d . . .
C60 C 0.5116(9) 0.2960(8) 0.0058(3) 0.041(3) Uani 1 1 d . . .
C61 C 0.5159(9) 0.3714(8) -0.0140(4) 0.043(3) Uani 1 1 d . . .
H61A H 0.4575 0.4023 -0.0217 0.051 Uiso 1 1 calc R . .
C62 C 0.6072(12) 0.4009(10) -0.0221(4) 0.060(4) Uani 1 1 d . . .
H62A H 0.6093 0.4505 -0.0365 0.072 Uiso 1 1 calc R . .
C63 C 0.6964(11) 0.3584(11) -0.0095(4) 0.061(4) Uani 1 1 d . . .
H63A H 0.7579 0.3797 -0.0145 0.073 Uiso 1 1 calc R . .
C64 C 0.6907(10) 0.2834(10) 0.0108(4) 0.056(3) Uani 1 1 d . . .
H64A H 0.7492 0.2534 0.0194 0.067 Uiso 1 1 calc R . .
C65 C 0.5987(10) 0.2525(10) 0.0185(4) 0.060(4) Uani 1 1 d . . .
H65A H 0.5959 0.2021 0.0324 0.072 Uiso 1 1 calc R . .
C66 C 0.3282(10) 0.2008(8) -0.0227(4) 0.046(3) Uani 1 1 d . . .
C67 C 0.3792(11) 0.1444(11) -0.0436(5) 0.064(4) Uani 1 1 d . . .
H67A H 0.4481 0.1364 -0.0374 0.076 Uiso 1 1 calc R . .
C68 C 0.3273(13) 0.1001(11) -0.0737(4) 0.065(4) Uani 1 1 d . . .
H68A H 0.3617 0.0602 -0.0865 0.078 Uiso 1 1 calc R . .
C69 C 0.2298(12) 0.1126(11) -0.0848(4) 0.060(4) Uani 1 1 d . . .
H69A H 0.1978 0.0837 -0.1058 0.072 Uiso 1 1 calc R . .
C70 C 0.1761(11) 0.1692(10) -0.0648(4) 0.057(4) Uani 1 1 d . . .
H70A H 0.1079 0.1785 -0.0721 0.068 Uiso 1 1 calc R . .
C71 C 0.2261(10) 0.2107(9) -0.0344(4) 0.048(3) Uani 1 1 d . . .
H71A H 0.1900 0.2476 -0.0207 0.057 Uiso 1 1 calc R . .
C72 C 0.4209(8) 0.1875(8) 0.0563(3) 0.039(2) Uani 1 1 d . . .
C73 C 0.4229(10) 0.0999(8) 0.0530(4) 0.051(3) Uani 1 1 d . . .
H73A H 0.4031 0.0744 0.0296 0.061 Uiso 1 1 calc R . .
C74 C 0.4548(12) 0.0487(10) 0.0845(5) 0.064(4) Uani 1 1 d . . .
H74A H 0.4501 -0.0108 0.0825 0.076 Uiso 1 1 calc R . .
C75 C 0.4925(13) 0.0850(11) 0.1179(5) 0.070(4) Uani 1 1 d . . .
H75A H 0.5183 0.0505 0.1381 0.084 Uiso 1 1 calc R . .
C76 C 0.4927(13) 0.1748(10) 0.1220(4) 0.065(4) Uani 1 1 d . . .
H76A H 0.5179 0.2002 0.1448 0.078 Uiso 1 1 calc R . .
C77 C 0.4547(13) 0.2246(9) 0.0915(4) 0.059(4) Uani 1 1 d . . .
H77A H 0.4514 0.2839 0.0943 0.071 Uiso 1 1 calc R . .
B1 B 0.7174(9) 0.0035(8) 0.1952(3) 0.066(5) Uani 1 1 d D . .
F1 F 0.6656(15) -0.0566(10) 0.2131(6) 0.134(10) Uani 0.69(2) 1 d PD A 1
F2 F 0.8035(10) 0.0221(13) 0.2177(4) 0.111(9) Uani 0.69(2) 1 d PD A 1
F3 F 0.6566(11) 0.0750(10) 0.1929(4) 0.085(6) Uani 0.69(2) 1 d PD A 1
F4 F 0.7338(12) -0.0248(14) 0.1614(4) 0.144(12) Uani 0.69(2) 1 d PD A 1
F1' F 0.627(2) 0.022(2) 0.2022(11) 0.128(14) Uani 0.31(2) 1 d PD A 2
F2' F 0.769(3) 0.075(2) 0.1904(12) 0.128(14) Uani 0.31(2) 1 d PD A 2
F3' F 0.767(3) -0.039(3) 0.2243(10) 0.128(14) Uani 0.31(2) 1 d PD A 2
F4' F 0.715(3) -0.045(3) 0.1646(10) 0.128(14) Uani 0.31(2) 1 d PD A 2
Cl3 Cl 0.3179(10) 0.6951(8) 0.4087(4) 0.230(6) Uani 1 1 d . . .
Cl2 Cl 0.4873(10) 0.8064(6) 0.4228(4) 0.203(5) Uani 1 1 d . . .
Cl1 Cl 0.3921(10) 0.7822(8) 0.3488(3) 0.204(5) Uani 1 1 d . . .
C78 C 0.384(4) 0.764(4) 0.3975(12) 0.37(5) Uani 1 1 d . . .
H78A H 0.3386 0.8120 0.4008 0.442 Uiso 1 1 calc 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'
P P 0.1023 0.0942 '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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
N1 Au1 P1 176.4(3) . .
N1 Au1 Au2 46.3(3) . .
P1 Au1 Au2 137.30(9) . .
N1 Au2 P2 172.5(3) . .
N1 Au2 Au1 46.6(3) . .
P2 Au2 Au1 140.84(8) . .
C1 Au3 P3 175.2(3) . .
C2 Au4 P4 174.8(3) . .
C1 N1 C4 105.4(9) . .
C1 N1 Au2 111.9(7) . .
C4 N1 Au2 119.0(7) . .
C1 N1 Au1 111.1(7) . .
C4 N1 Au1 121.7(7) . .
Au2 N1 Au1 87.1(4) . .
C2 C1 N1 110.4(9) . .
C2 C1 Au3 121.9(8) . .
N1 C1 Au3 127.6(8) . .
C1 C2 C3 108.7(8) . .
C1 C2 Au4 124.4(7) . .
C3 C2 Au4 126.7(7) . .
C4 C3 C5 124.3(9) . .
C4 C3 C2 108.7(9) . .
C5 C3 C2 127.0(9) . .
C5 C4 C3 120.8(9) 3_565 .
C5 C4 N1 132.5(9) 3_565 .
C3 C4 N1 106.8(9) . .
C4 C5 C3 114.9(9) 3_565 .
C18 P1 C6 105.1(6) . .
C18 P1 C12 106.0(5) . .
C6 P1 C12 107.5(6) . .
C18 P1 Au1 113.6(3) . .
C6 P1 Au1 112.5(4) . .
C12 P1 Au1 111.6(4) . .
C7 C6 C11 121.2(15) . .
C7 C6 P1 116.5(10) . .
C11 C6 P1 122.3(12) . .
C6 C7 C8 120.2(17) . .
C9 C8 C7 119(2) . .
C8 C9 C10 117.9(18) . .
C9 C10 C11 124.6(18) . .
C6 C11 C10 116.1(18) . .
C17 C12 C13 120.1(12) . .
C17 C12 P1 119.7(10) . .
C13 C12 P1 120.1(9) . .
C14 C13 C12 117.8(13) . .
C15 C14 C13 121.2(14) . .
C14 C15 C16 119.1(14) . .
C17 C16 C15 121.5(14) . .
C16 C17 C12 120.3(14) . .
C23 C18 C19 118.6(12) . .
C23 C18 P1 121.6(9) . .
C19 C18 P1 119.8(9) . .
C20 C19 C18 121.4(11) . .
C21 C20 C19 117.9(12) . .
C20 C21 C22 122.4(13) . .
C23 C22 C21 119.7(12) . .
C22 C23 C18 119.9(12) . .
C30 P2 C36 106.6(6) . .
C30 P2 C24 105.7(7) . .
C36 P2 C24 105.9(6) . .
C30 P2 Au2 111.1(4) . .
C36 P2 Au2 111.1(5) . .
C24 P2 Au2 115.9(5) . .
C25 C24 C29 116.3(16) . .
C25 C24 P2 120.4(13) . .
C29 C24 P2 123.3(13) . .
C26 C25 C24 121(2) . .
C27 C26 C25 122(3) . .
C26 C27 C28 121(2) . .
C29 C28 C27 118(3) . .
C24 C29 C28 122(2) . .
C31 C30 C35 118.9(13) . .
C31 C30 P2 122.3(10) . .
C35 C30 P2 118.7(10) . .
C30 C31 C32 119.6(16) . .
C33 C32 C31 119.2(17) . .
C34 C33 C32 121.3(16) . .
C33 C34 C35 120.0(16) . .
C34 C35 C30 120.8(13) . .
C41 C36 C37 118.9(13) . .
C41 C36 P2 116.4(10) . .
C37 C36 P2 124.5(11) . .
C36 C37 C38 120.9(14) . .
C39 C38 C37 121.2(14) . .
C38 C39 C40 119.5(14) . .
C39 C40 C41 119.6(14) . .
C36 C41 C40 119.9(12) . .
C54 P3 C48 105.5(6) . .
C54 P3 C42 106.2(6) . .
C48 P3 C42 108.9(6) . .
C54 P3 Au3 114.7(4) . .
C48 P3 Au3 112.1(4) . .
C42 P3 Au3 109.2(4) . .
C47 C42 C43 119.8(14) . .
C47 C42 P3 124.0(13) . .
C43 C42 P3 115.9(11) . .
C44 C43 C42 122.0(18) . .
C43 C44 C45 116.5(18) . .
C46 C45 C44 121.2(15) . .
C45 C46 C47 120.0(16) . .
C42 C47 C46 120.5(16) . .
C53 C48 C49 117.3(14) . .
C53 C48 P3 122.9(11) . .
C49 C48 P3 119.4(9) . .
C50 C49 C48 120.5(14) . .
C49 C50 C51 122.2(18) . .
C50 C51 C52 117.9(18) . .
C53 C52 C51 120.5(15) . .
C52 C53 C48 121.3(16) . .
C55 C54 C59 118.6(13) . .
C55 C54 P3 119.1(10) . .
C59 C54 P3 122.2(11) . .
C54 C55 C56 120.1(14) . .
C57 C56 C55 120.4(16) . .
C58 C57 C56 121.3(16) . .
C57 C58 C59 120.3(17) . .
C58 C59 C54 119.1(17) . .
C72 P4 C66 108.4(6) . .
C72 P4 C60 103.8(5) . .
C66 P4 C60 107.8(6) . .
C72 P4 Au4 113.4(4) . .
C66 P4 Au4 108.0(4) . .
C60 P4 Au4 115.1(4) . .
C65 C60 C61 119.9(12) . .
C65 C60 P4 121.8(10) . .
C61 C60 P4 118.1(9) . .
C60 C61 C62 119.5(12) . .
C61 C62 C63 121.7(14) . .
C64 C63 C62 117.9(13) . .
C63 C64 C65 120.7(14) . .
C60 C65 C64 120.2(13) . .
C71 C66 C67 116.5(13) . .
C71 C66 P4 120.6(10) . .
C67 C66 P4 123.0(11) . .
C68 C67 C66 119.9(14) . .
C69 C68 C67 122.2(16) . .
C68 C69 C70 119.7(14) . .
C71 C70 C69 118.3(14) . .
C70 C71 C66 123.4(13) . .
C73 C72 C77 118.7(12) . .
C73 C72 P4 124.5(10) . .
C77 C72 P4 116.5(9) . .
C72 C73 C74 120.3(13) . .
C75 C74 C73 120.6(15) . .
C74 C75 C76 120.0(14) . .
C77 C76 C75 118.7(14) . .
C76 C77 C72 121.3(13) . .
F4 B1 F2 112.3(11) . .
F4 B1 F1 110.6(11) . .
F2 B1 F1 108.4(11) . .
F4 B1 F3 112.4(11) . .
F2 B1 F3 108.5(10) . .
F1 B1 F3 104.2(10) . .
F4 B1 F1' 121(2) . .
F2 B1 F1' 125.7(19) . .
F1 B1 F1' 61.4(17) . .
F3 B1 F1' 43.2(16) . .
F4 B1 F4' 18(2) . .
F2 B1 F4' 123(2) . .
F1 B1 F4' 92(2) . .
F3 B1 F4' 117(2) . .
F1' B1 F4' 111.5(13) . .
F4 B1 F2' 90(2) . .
F2 B1 F2' 58.7(16) . .
F1 B1 F2' 158.8(19) . .
F3 B1 F2' 68.3(15) . .
F1' B1 F2' 110.4(13) . .
F4' B1 F2' 108.7(12) . .
F4 B1 F3' 114(2) . .
F2 B1 F3' 48.9(15) . .
F1 B1 F3' 61.9(16) . .
F3 B1 F3' 133.0(19) . .
F1' B1 F3' 110.1(12) . .
F4' B1 F3' 108.4(12) . .
F2' B1 F3' 107.6(12) . .
Cl3 C78 Cl2 128(4) . .
Cl3 C78 Cl1 120(2) . .
Cl2 C78 Cl1 107.9(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.095(10) .
Au1 P1 2.269(3) .
Au1 Au2 2.8788(8) .
Au2 N1 2.084(11) .
Au2 P2 2.273(3) .
Au3 C1 2.018(11) .
Au3 P3 2.278(3) .
Au4 C2 2.038(8) .
Au4 P4 2.242(3) .
N1 C1 1.414(14) .
N1 C4 1.470(14) .
C1 C2 1.344(13) .
C2 C3 1.417(12) .
C3 C4 1.387(14) .
C3 C5 1.393(13) .
C4 C5 1.381(13) 3_565
C5 C4 1.381(13) 3_565
P1 C18 1.820(13) .
P1 C6 1.826(14) .
P1 C12 1.835(13) .
C6 C7 1.37(2) .
C6 C11 1.372(19) .
C7 C8 1.41(2) .
C8 C9 1.35(3) .
C9 C10 1.37(3) .
C10 C11 1.39(3) .
C12 C17 1.370(19) .
C12 C13 1.421(17) .
C13 C14 1.41(2) .
C14 C15 1.36(2) .
C15 C16 1.40(2) .
C16 C17 1.35(2) .
C18 C23 1.391(15) .
C18 C19 1.397(16) .
C19 C20 1.393(18) .
C20 C21 1.350(19) .
C21 C22 1.386(18) .
C22 C23 1.373(16) .
P2 C30 1.805(14) .
P2 C36 1.813(13) .
P2 C24 1.811(14) .
C24 C25 1.38(2) .
C24 C29 1.39(2) .
C25 C26 1.38(3) .
C26 C27 1.32(4) .
C27 C28 1.38(4) .
C28 C29 1.40(2) .
C30 C31 1.376(18) .
C30 C35 1.390(17) .
C31 C32 1.41(2) .
C32 C33 1.37(3) .
C33 C34 1.34(2) .
C34 C35 1.38(2) .
C36 C41 1.373(19) .
C36 C37 1.373(18) .
C37 C38 1.391(19) .
C38 C39 1.34(2) .
C39 C40 1.39(2) .
C40 C41 1.42(2) .
P3 C54 1.797(13) .
P3 C48 1.818(14) .
P3 C42 1.833(14) .
C42 C47 1.34(2) .
C42 C43 1.41(2) .
C43 C44 1.38(2) .
C44 C45 1.44(3) .
C45 C46 1.34(2) .
C46 C47 1.43(2) .
C48 C53 1.374(17) .
C48 C49 1.39(2) .
C49 C50 1.35(2) .
C50 C51 1.36(2) .
C51 C52 1.37(3) .
C52 C53 1.37(2) .
C54 C55 1.368(18) .
C54 C59 1.430(19) .
C55 C56 1.390(19) .
C56 C57 1.36(2) .
C57 C58 1.35(3) .
C58 C59 1.39(2) .
P4 C72 1.810(12) .
P4 C66 1.813(14) .
P4 C60 1.824(13) .
C60 C65 1.378(18) .
C60 C61 1.375(17) .
C61 C62 1.377(19) .
C62 C63 1.39(2) .
C63 C64 1.38(2) .
C64 C65 1.388(18) .
C66 C71 1.389(18) .
C66 C67 1.392(18) .
C67 C68 1.39(2) .
C68 C69 1.33(2) .
C69 C70 1.39(2) .
C70 C71 1.365(18) .
C72 C73 1.369(17) .
C72 C77 1.402(18) .
C73 C74 1.400(19) .
C74 C75 1.36(2) .
C75 C76 1.41(2) .
C76 C77 1.379(19) .
B1 F4 1.332(14) .
B1 F2 1.351(14) .
B1 F1 1.374(14) .
B1 F3 1.376(14) .
B1 F1' 1.30(3) .
B1 F4' 1.32(3) .
B1 F2' 1.33(3) .
B1 F3' 1.34(3) .
Cl3 C78 1.48(3) .
Cl2 C78 1.69(4) .
Cl1 C78 1.78(4) .
