#------------------------------------------------------------------------------
#$Date: 2017-11-23 11:05:57 +0200 (Thu, 23 Nov 2017) $
#$Revision: 203480 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548162.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_1548162
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            'C81 H65 Au4 B Cl3 F4 N P4'
_chemical_formula_weight         2157.25
_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                 101.80(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.579(4)
_cell_length_b                   17.158(3)
_cell_length_c                   25.460(5)
_cell_measurement_reflns_used    25162
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.5401
_cell_measurement_theta_min      1.1833
_cell_volume                     7517(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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_sigmaI/netI    0.1227
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            28179
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    8.028
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5624
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4104
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.380
_refine_diff_density_min         -1.705
_refine_diff_density_rms         0.397
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.205
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         13083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.205
_refine_ls_R_factor_all          0.1437
_refine_ls_R_factor_gt           0.1162
_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)+(0.1034P)²+319.4179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2724
_refine_ls_wR_factor_ref         0.3049
_reflns_number_gt                10544
_reflns_number_total             13083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ncomms11489-1.cif
_cod_data_source_block           1
_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               1548162
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 0.20937(6) 1.42827(6) 0.67412(4) 0.0303(3) Uani 1 1 d . . .
Au2 Au 0.20530(6) 1.36755(6) 0.56887(4) 0.0316(3) Uani 1 1 d . . .
Au3 Au 0.39805(6) 1.44265(6) 0.63914(4) 0.0308(3) Uani 1 1 d . . .
Au4 Au 0.40839(6) 1.63788(6) 0.60994(4) 0.0350(3) Uani 1 1 d . . .
N1 N 0.2243(13) 1.4801(14) 0.5993(9) 0.040(2) Uani 1 1 d . . .
C1 C 0.3049(16) 1.5076(16) 0.6067(11) 0.040(2) Uani 1 1 d . . .
C2 C 0.3005(16) 1.5867(17) 0.5926(11) 0.040(2) Uani 1 1 d . . .
C3 C 0.2314(17) 1.6089(17) 0.5810(11) 0.040(2) Uani 1 1 d . . .
C4 C 0.2025(16) 1.6855(17) 0.5669(11) 0.040(2) Uani 1 1 d . . .
H4A H 0.2364 1.7266 0.5652 0.048 Uiso 1 1 calc R . .
C5 C 0.1189(16) 1.6978(17) 0.5553(11) 0.040(2) Uani 1 1 d . . .
H5A H 0.0996 1.7475 0.5462 0.048 Uiso 1 1 calc R . .
C6 C 0.0701(17) 1.6407(16) 0.5572(11) 0.040(2) Uani 1 1 d . . .
H6A H 0.0170 1.6505 0.5480 0.048 Uiso 1 1 calc R . .
C7 C 0.0961(16) 1.5640(17) 0.5732(11) 0.040(2) Uani 1 1 d . . .
H7AQ H 0.0597 1.5263 0.5774 0.048 Uiso 1 1 calc R . .
C8 C 0.1726(16) 1.5441(17) 0.5826(11) 0.040(2) Uani 1 1 d . . .
P1 P 0.1781(4) 1.3780(4) 0.7492(3) 0.0337(15) Uani 1 1 d . . .
C9 C 0.0853(9) 1.4200(11) 0.7568(8) 0.051(3) Uani 1 1 d G . .
C10 C 0.0711(10) 1.4976(10) 0.7423(8) 0.051(3) Uani 1 1 d G . .
H10A H 0.1077 1.5260 0.7287 0.061 Uiso 1 1 calc R . .
C11 C 0.0021(11) 1.5327(8) 0.7483(8) 0.051(3) Uani 1 1 d G . .
H11A H -0.0075 1.5846 0.7386 0.061 Uiso 1 1 calc R . .
C12 C -0.0527(9) 1.4902(11) 0.7687(8) 0.051(3) Uani 1 1 d G . .
H12A H -0.0988 1.5137 0.7727 0.061 Uiso 1 1 calc R . .
C13 C -0.0384(10) 1.4127(10) 0.7832(8) 0.051(3) Uani 1 1 d G . .
H13A H -0.0751 1.3842 0.7968 0.061 Uiso 1 1 calc R . .
C14 C 0.0305(11) 1.3776(8) 0.7772(8) 0.051(3) Uani 1 1 d G . .
H14A H 0.0401 1.3256 0.7868 0.061 Uiso 1 1 calc R . .
C15 C 0.2427(14) 1.3934(13) 0.8128(7) 0.072(5) Uani 1 1 d G . .
C16 C 0.3214(15) 1.3959(13) 0.8116(7) 0.072(5) Uani 1 1 d G . .
H16A H 0.3374 1.3930 0.7790 0.086 Uiso 1 1 calc R . .
C17 C 0.3763(12) 1.4025(13) 0.8592(9) 0.072(5) Uani 1 1 d G . .
H17A H 0.4289 1.4042 0.8584 0.086 Uiso 1 1 calc R . .
C18 C 0.3524(14) 1.4068(13) 0.9079(7) 0.072(5) Uani 1 1 d G . .
H18A H 0.3891 1.4113 0.9397 0.086 Uiso 1 1 calc R . .
C19 C 0.2737(15) 1.4044(13) 0.9090(7) 0.072(5) Uani 1 1 d G . .
H19A H 0.2578 1.4072 0.9416 0.086 Uiso 1 1 calc R . .
C20 C 0.2189(12) 1.3977(13) 0.8615(9) 0.072(5) Uani 1 1 d G . .
H20A H 0.1662 1.3961 0.8622 0.086 Uiso 1 1 calc R . .
C21 C 0.1666(10) 1.2720(7) 0.7457(6) 0.035(2) Uani 1 1 d G . .
C22 C 0.1958(10) 1.2218(9) 0.7879(5) 0.035(2) Uani 1 1 d G . .
H22A H 0.2201 1.2419 0.8210 0.042 Uiso 1 1 calc R . .
C23 C 0.1888(10) 1.1417(8) 0.7806(5) 0.035(2) Uani 1 1 d G . .
H23A H 0.2083 1.1081 0.8088 0.042 Uiso 1 1 calc R . .
C24 C 0.1525(10) 1.1117(7) 0.7311(6) 0.035(2) Uani 1 1 d G . .
H24A H 0.1478 1.0580 0.7262 0.042 Uiso 1 1 calc R . .
C25 C 0.1232(10) 1.1618(9) 0.6889(5) 0.035(2) Uani 1 1 d G . .
H25A H 0.0990 1.1417 0.6558 0.042 Uiso 1 1 calc R . .
C26 C 0.1303(10) 1.2419(8) 0.6962(5) 0.035(2) Uani 1 1 d G . .
H26A H 0.1107 1.2755 0.6680 0.042 Uiso 1 1 calc R . .
P2 P 0.1911(4) 1.2458(4) 0.5318(3) 0.0329(15) Uani 1 1 d . . .
C27 C 0.1858(12) 1.2446(11) 0.4588(6) 0.049(8) Uani 1 1 d G . .
C28 C 0.1891(13) 1.3157(9) 0.4331(9) 0.056(9) Uani 1 1 d G . .
H28A H 0.1927 1.3618 0.4526 0.068 Uiso 1 1 calc R . .
C29 C 0.1870(13) 1.3177(12) 0.3783(9) 0.079(12) Uani 1 1 d G . .
H29A H 0.1892 1.3652 0.3611 0.094 Uiso 1 1 calc R . .
C30 C 0.1816(12) 1.2487(15) 0.3491(6) 0.082(13) Uani 1 1 d G . .
H30A H 0.1802 1.2501 0.3124 0.099 Uiso 1 1 calc R . .
C31 C 0.1783(11) 1.1777(12) 0.3748(7) 0.056(9) Uani 1 1 d G . .
H31A H 0.1747 1.1315 0.3553 0.067 Uiso 1 1 calc R . .
C32 C 0.1804(11) 1.1756(9) 0.4297(7) 0.044(7) Uani 1 1 d G . .
H32A H 0.1782 1.1281 0.4469 0.053 Uiso 1 1 calc R . .
C33 C 0.2755(9) 1.1840(12) 0.5590(8) 0.053(3) Uani 1 1 d G . .
C34 C 0.3422(11) 1.1897(11) 0.5379(7) 0.053(3) Uani 1 1 d G . .
H34A H 0.3429 1.2223 0.5088 0.064 Uiso 1 1 calc R . .
C35 C 0.4080(9) 1.1468(13) 0.5603(8) 0.053(3) Uani 1 1 d G . .
H35A H 0.4526 1.1507 0.5461 0.064 Uiso 1 1 calc R . .
C36 C 0.4070(9) 1.0982(12) 0.6038(8) 0.053(3) Uani 1 1 d G . .
H36A H 0.4510 1.0695 0.6187 0.064 Uiso 1 1 calc R . .
C37 C 0.3403(11) 1.0924(11) 0.6249(7) 0.053(3) Uani 1 1 d G . .
H37A H 0.3396 1.0599 0.6540 0.064 Uiso 1 1 calc R . .
C38 C 0.2746(9) 1.1353(13) 0.6025(8) 0.053(3) Uani 1 1 d G . .
H38A H 0.2299 1.1314 0.6167 0.064 Uiso 1 1 calc R . .
C39 C 0.1054(8) 1.1939(10) 0.5431(8) 0.045(3) Uani 1 1 d G . .
C40 C 0.0428(10) 1.2375(8) 0.5523(8) 0.045(3) Uani 1 1 d G . .
H40A H 0.0458 1.2916 0.5533 0.054 Uiso 1 1 calc R . .
C41 C -0.0243(8) 1.2003(10) 0.5600(8) 0.045(3) Uani 1 1 d G . .
H41A H -0.0662 1.2295 0.5662 0.054 Uiso 1 1 calc R . .
C42 C -0.0288(8) 1.1194(10) 0.5585(8) 0.045(3) Uani 1 1 d G . .
H42A H -0.0737 1.0945 0.5637 0.054 Uiso 1 1 calc R . .
C43 C 0.0338(10) 1.0758(8) 0.5493(8) 0.045(3) Uani 1 1 d G . .
H43A H 0.0307 1.0217 0.5483 0.054 Uiso 1 1 calc R . .
C44 C 0.1008(8) 1.1130(10) 0.5416(8) 0.045(3) Uani 1 1 d G . .
H44A H 0.1427 1.0838 0.5354 0.054 Uiso 1 1 calc R . .
P3 P 0.4978(4) 1.3620(4) 0.6790(3) 0.0375(16) Uani 1 1 d . . .
C45 C 0.5362(12) 1.2995(13) 0.6327(8) 0.066(4) Uani 1 1 d G . .
C46 C 0.5468(13) 1.3354(11) 0.5858(9) 0.066(4) Uani 1 1 d G . .
H46A H 0.5265 1.3848 0.5769 0.080 Uiso 1 1 calc R . .
C47 C 0.5880(13) 1.2975(13) 0.5522(7) 0.066(4) Uani 1 1 d G . .
H47A H 0.5951 1.3215 0.5208 0.080 Uiso 1 1 calc R . .
C48 C 0.6184(12) 1.2236(13) 0.5655(8) 0.066(4) Uani 1 1 d G . .
H48A H 0.6459 1.1982 0.5430 0.080 Uiso 1 1 calc R . .
C49 C 0.6077(13) 1.1877(11) 0.6124(9) 0.066(4) Uani 1 1 d G . .
H49A H 0.6281 1.1383 0.6213 0.080 Uiso 1 1 calc R . .
C50 C 0.5666(13) 1.2257(13) 0.6460(7) 0.066(4) Uani 1 1 d G . .
H50A H 0.5595 1.2017 0.6774 0.080 Uiso 1 1 calc R . .
C51 C 0.4618(10) 1.2947(11) 0.7260(7) 0.046(3) Uani 1 1 d G . .
C52 C 0.3917(10) 1.2568(11) 0.7072(6) 0.046(3) Uani 1 1 d G . .
H52A H 0.3657 1.2634 0.6718 0.055 Uiso 1 1 calc R . .
C53 C 0.3603(8) 1.2088(11) 0.7414(7) 0.046(3) Uani 1 1 d G . .
H53A H 0.3134 1.1834 0.7288 0.055 Uiso 1 1 calc R . .
C54 C 0.3991(10) 1.1989(11) 0.7943(7) 0.046(3) Uani 1 1 d G . .
H54A H 0.3781 1.1668 0.8171 0.055 Uiso 1 1 calc R . .
C55 C 0.4692(10) 1.2369(11) 0.8130(6) 0.046(3) Uani 1 1 d G . .
H55A H 0.4952 1.2302 0.8484 0.055 Uiso 1 1 calc R . .
C56 C 0.5006(9) 1.2848(11) 0.7789(7) 0.046(3) Uani 1 1 d G . .
H56A H 0.5475 1.3102 0.7914 0.055 Uiso 1 1 calc R . .
C57 C 0.5839(9) 1.4100(11) 0.7177(7) 0.052(3) Uani 1 1 d G . .
C58 C 0.6590(11) 1.3902(10) 0.7134(7) 0.052(3) Uani 1 1 d G . .
H58A H 0.6671 1.3514 0.6897 0.063 Uiso 1 1 calc R . .
C59 C 0.7221(8) 1.4283(12) 0.7447(8) 0.052(3) Uani 1 1 d G . .
H59A H 0.7724 1.4151 0.7418 0.063 Uiso 1 1 calc R . .
C60 C 0.7101(9) 1.4863(11) 0.7803(7) 0.052(3) Uani 1 1 d G . .
H60A H 0.7523 1.5118 0.8012 0.063 Uiso 1 1 calc R . .
C61 C 0.6349(11) 1.5061(10) 0.7846(7) 0.052(3) Uani 1 1 d G . .
H61A H 0.6269 1.5449 0.8084 0.063 Uiso 1 1 calc R . .
C62 C 0.5718(8) 1.4680(12) 0.7533(8) 0.052(3) Uani 1 1 d G . .
H62A H 0.5215 1.4813 0.7562 0.063 Uiso 1 1 calc R . .
P4 P 0.5291(4) 1.6866(4) 0.6249(3) 0.0339(15) Uani 1 1 d . . .
C63 C 0.5796(11) 1.6899(14) 0.6974(6) 0.056(3) Uani 1 1 d G . .
C64 C 0.5366(8) 1.6864(13) 0.7375(8) 0.056(3) Uani 1 1 d G . .
H64A H 0.4831 1.6790 0.7285 0.067 Uiso 1 1 calc R . .
C65 C 0.5736(11) 1.6939(14) 0.7910(7) 0.056(3) Uani 1 1 d G . .
H65A H 0.5449 1.6915 0.8178 0.067 Uiso 1 1 calc R . .
C66 C 0.6536(11) 1.7049(13) 0.8043(6) 0.056(3) Uani 1 1 d G . .
H66A H 0.6783 1.7099 0.8401 0.067 Uiso 1 1 calc R . .
C67 C 0.6965(8) 1.7084(13) 0.7642(8) 0.056(3) Uani 1 1 d G . .
H67A H 0.7501 1.7158 0.7732 0.067 Uiso 1 1 calc R . .
C68 C 0.6595(11) 1.7009(14) 0.7107(7) 0.056(3) Uani 1 1 d G . .
H68A H 0.6883 1.7033 0.6839 0.067 Uiso 1 1 calc R . .
C69 C 0.5875(11) 1.6262(10) 0.5916(7) 0.048(3) Uani 1 1 d G . .
C70 C 0.5899(10) 1.6430(10) 0.5386(7) 0.048(3) Uani 1 1 d G . .
H70A H 0.5652 1.6872 0.5223 0.058 Uiso 1 1 calc R . .
C71 C 0.6293(11) 1.5937(12) 0.5100(6) 0.048(3) Uani 1 1 d G . .
H71A H 0.6309 1.6050 0.4745 0.058 Uiso 1 1 calc R . .
C72 C 0.6663(10) 1.5275(10) 0.5344(7) 0.048(3) Uani 1 1 d G . .
H72A H 0.6926 1.4946 0.5152 0.058 Uiso 1 1 calc R . .
C73 C 0.6639(10) 1.5107(10) 0.5874(7) 0.048(3) Uani 1 1 d G . .
H73A H 0.6887 1.4665 0.6038 0.058 Uiso 1 1 calc R . .
C74 C 0.6245(11) 1.5600(11) 0.6161(6) 0.048(3) Uani 1 1 d G . .
H74A H 0.6230 1.5487 0.6516 0.058 Uiso 1 1 calc R . .
C75 C 0.5356(10) 1.7862(8) 0.6009(8) 0.044(3) Uani 1 1 d G . .
C76 C 0.6068(8) 1.8221(10) 0.6021(8) 0.044(3) Uani 1 1 d G . .
H76A H 0.6527 1.7954 0.6153 0.053 Uiso 1 1 calc R . .
C77 C 0.6094(8) 1.8981(10) 0.5836(8) 0.044(3) Uani 1 1 d G . .
H77A H 0.6570 1.9221 0.5844 0.053 Uiso 1 1 calc R . .
C78 C 0.5407(10) 1.9381(8) 0.5638(8) 0.044(3) Uani 1 1 d G . .
H78A H 0.5424 1.9889 0.5514 0.053 Uiso 1 1 calc R . .
C79 C 0.4695(8) 1.9021(10) 0.5626(8) 0.044(3) Uani 1 1 d G . .
H79A H 0.4236 1.9289 0.5494 0.053 Uiso 1 1 calc R . .
C80 C 0.4670(8) 1.8262(10) 0.5811(8) 0.044(3) Uani 1 1 d G . .
H80A H 0.4193 1.8021 0.5803 0.053 Uiso 1 1 calc R . .
Cl1 Cl 0.3756(8) 1.0003(8) 1.0643(7) 0.125(5) Uani 1 1 d . . .
Cl2 Cl 0.4630(8) 1.1173(9) 1.1311(5) 0.115(5) Uani 1 1 d . . .
Cl3 Cl 0.3050(8) 1.1498(7) 1.0804(5) 0.099(4) Uani 1 1 d . . .
C81 C 0.386(2) 1.102(2) 1.0731(13) 0.074(12) Uani 1 1 d . . .
H81A H 0.4027 1.1238 1.0418 0.089 Uiso 1 1 calc R . .
B1 B 0.2593(18) 1.437(3) 1.0537(15) 0.054(12) Uani 1 1 d . . .
F1 F 0.1948(16) 1.453(2) 1.0256(12) 0.140(13) Uani 1 1 d . . .
F2 F 0.239(2) 1.4501(17) 1.1017(10) 0.139(13) Uani 1 1 d . . .
F3 F 0.3107(14) 1.4873(12) 1.0418(16) 0.134(13) Uani 1 1 d . . .
F4 F 0.2853(13) 1.3673(12) 1.0559(11) 0.088(7) Uani 1 1 d . . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
N1 Au1 P1 172.9(6) . .
N1 Au1 Au2 46.4(6) . .
P1 Au1 Au2 133.43(18) . .
N1 Au2 P2 175.8(7) . .
N1 Au2 Au1 48.9(7) . .
P2 Au2 Au1 134.37(18) . .
C1 Au3 P3 175.4(9) . .
C2 Au4 P4 175.6(7) . .
C1 N1 C8 109(2) . .
C1 N1 Au2 115.0(16) . .
C8 N1 Au2 123.8(17) . .
C1 N1 Au1 107.8(17) . .
C8 N1 Au1 113.1(17) . .
Au2 N1 Au1 84.7(9) . .
C2 C1 N1 106(2) . .
C2 C1 Au3 130(2) . .
N1 C1 Au3 124(2) . .
C3 C2 C1 111(3) . .
C3 C2 Au4 137(2) . .
C1 C2 Au4 111(2) . .
C2 C3 C4 128(3) . .
C2 C3 C8 114(3) . .
C4 C3 C8 118(3) . .
C3 C4 C5 119(3) . .
C6 C5 C4 122(3) . .
C5 C6 C7 122(3) . .
C8 C7 C6 122(3) . .
C7 C8 N1 142(3) . .
C7 C8 C3 118(3) . .
N1 C8 C3 100(2) . .
C15 P1 C21 103.5(9) . .
C15 P1 C9 105.1(11) . .
C21 P1 C9 107.7(9) . .
C15 P1 Au1 119.1(9) . .
C21 P1 Au1 112.4(6) . .
C9 P1 Au1 108.3(7) . .
C10 C9 C14 120.0 . .
C10 C9 P1 117.8(11) . .
C14 C9 P1 122.2(11) . .
C11 C10 C9 120.0 . .
C10 C11 C12 120.0 . .
C13 C12 C11 120.0 . .
C12 C13 C14 120.0 . .
C13 C14 C9 120.0 . .
C16 C15 C20 120.0 . .
C16 C15 P1 115.8(15) . .
C20 C15 P1 124.1(15) . .
C15 C16 C17 120.0 . .
C18 C17 C16 120.0 . .
C17 C18 C19 120.0 . .
C20 C19 C18 120.0 . .
C19 C20 C15 120.0 . .
C22 C21 C26 120.0 . .
C22 C21 P1 123.9(9) . .
C26 C21 P1 116.0(9) . .
C23 C22 C21 120.0 . .
C22 C23 C24 120.0 . .
C25 C24 C23 120.0 . .
C24 C25 C26 120.0 . .
C25 C26 C21 120.0 . .
C39 P2 C27 106.3(9) . .
C39 P2 C33 106.7(10) . .
C27 P2 C33 104.1(9) . .
C39 P2 Au2 113.9(7) . .
C27 P2 Au2 113.9(7) . .
C33 P2 Au2 111.1(7) . .
C28 C27 C32 120.0 . .
C28 C27 P2 117.8(11) . .
C32 C27 P2 122.1(11) . .
C29 C28 C27 120.0 . .
C30 C29 C28 120.0 . .
C29 C30 C31 120.0 . .
C32 C31 C30 120.0 . .
C31 C32 C27 120.0 . .
C34 C33 C38 120.0 . .
C34 C33 P2 119.5(12) . .
C38 C33 P2 120.4(12) . .
C33 C34 C35 120.0 . .
C34 C35 C36 120.0 . .
C35 C36 C37 120.0 . .
C38 C37 C36 120.0 . .
C37 C38 C33 120.0 . .
C40 C39 C44 120.0 . .
C40 C39 P2 118.1(10) . .
C44 C39 P2 121.9(10) . .
C41 C40 C39 120.0 . .
C42 C41 C40 120.0 . .
C41 C42 C43 120.0 . .
C42 C43 C44 120.0 . .
C43 C44 C39 120.0 . .
C45 P3 C57 103.8(10) . .
C45 P3 C51 105.6(11) . .
C57 P3 C51 106.6(9) . .
C45 P3 Au3 114.8(8) . .
C57 P3 Au3 116.1(7) . .
C51 P3 Au3 109.1(7) . .
C46 C45 C50 120.0 . .
C46 C45 P3 115.3(13) . .
C50 C45 P3 123.7(13) . .
C45 C46 C47 120.0 . .
C48 C47 C46 120.0 . .
C47 C48 C49 120.0 . .
C50 C49 C48 120.0 . .
C49 C50 C45 120.0 . .
C52 C51 C56 120.0 . .
C52 C51 P3 117.6(10) . .
C56 C51 P3 122.3(10) . .
C53 C52 C51 120.0 . .
C52 C53 C54 120.0 . .
C53 C54 C55 120.0 . .
C56 C55 C54 120.0 . .
C55 C56 C51 120.0 . .
C58 C57 C62 120.0 . .
C58 C57 P3 122.9(11) . .
C62 C57 P3 117.1(11) . .
C59 C58 C57 120.0 . .
C58 C59 C60 120.0 . .
C59 C60 C61 120.0 . .
C62 C61 C60 120.0 . .
C61 C62 C57 120.0 . .
C69 P4 C75 107.7(10) . .
C69 P4 C63 106.3(10) . .
C75 P4 C63 104.5(10) . .
C69 P4 Au4 108.6(7) . .
C75 P4 Au4 114.5(7) . .
C63 P4 Au4 114.8(7) . .
C64 C63 C68 120.0 . .
C64 C63 P4 120.1(11) . .
C68 C63 P4 119.7(11) . .
C65 C64 C63 120.0 . .
C64 C65 C66 120.0 . .
C67 C66 C65 120.0 . .
C66 C67 C68 120.0 . .
C67 C68 C63 120.0 . .
C70 C69 C74 120.0 . .
C70 C69 P4 118.2(11) . .
C74 C69 P4 121.6(11) . .
C71 C70 C69 120.0 . .
C70 C71 C72 120.0 . .
C73 C72 C71 120.0 . .
C74 C73 C72 120.0 . .
C73 C74 C69 120.0 . .
C76 C75 C80 120.0 . .
C76 C75 P4 121.7(10) . .
C80 C75 P4 118.3(10) . .
C75 C76 C77 120.0 . .
C78 C77 C76 120.0 . .
C77 C78 C79 120.0 . .
C80 C79 C78 120.0 . .
C79 C80 C75 120.0 . .
Cl3 C81 Cl1 115(3) . .
Cl3 C81 Cl2 110.5(19) . .
Cl1 C81 Cl2 107(2) . .
F1 B1 F4 121(3) . .
F1 B1 F3 108(4) . .
F4 B1 F3 111(3) . .
F1 B1 F2 96(3) . .
F4 B1 F2 106(4) . .
F3 B1 F2 114(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.17(2) .
Au1 P1 2.265(7) .
Au1 Au2 2.8622(15) .
Au2 N1 2.08(2) .
Au2 P2 2.285(7) .
Au3 C1 2.01(3) .
Au3 P3 2.300(7) .
Au4 C2 2.05(3) .
Au4 P4 2.240(7) .
N1 C1 1.47(3) .
N1 C8 1.44(4) .
C1 C2 1.40(4) .
C2 C3 1.25(4) .
C3 C4 1.43(4) .
C3 C8 1.53(4) .
C4 C5 1.45(4) .
C5 C6 1.31(4) .
C6 C7 1.43(4) .
C7 C8 1.36(4) .
P1 C15 1.797(16) .
P1 C21 1.831(13) .
P1 C9 1.830(16) .
C9 C10 1.3900 .
C9 C14 1.3900 .
C10 C11 1.3900 .
C11 C12 1.3900 .
C12 C13 1.3900 .
C13 C14 1.3900 .
C15 C16 1.3900 .
C15 C20 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C18 C19 1.3900 .
C19 C20 1.3900 .
C21 C22 1.3900 .
C21 C26 1.3900 .
C22 C23 1.3900 .
C23 C24 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
P2 C39 1.824(14) .
P2 C27 1.841(15) .
P2 C33 1.841(16) .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C33 C34 1.3900 .
C33 C38 1.3900 .
C34 C35 1.3900 .
C35 C36 1.3900 .
C36 C37 1.3900 .
C37 C38 1.3900 .
C39 C40 1.3900 .
C39 C44 1.3900 .
C40 C41 1.3900 .
C41 C42 1.3900 .
C42 C43 1.3900 .
C43 C44 1.3900 .
P3 C45 1.821(15) .
P3 C57 1.825(15) .
P3 C51 1.864(15) .
C45 C46 1.3900 .
C45 C50 1.3900 .
C46 C47 1.3900 .
C47 C48 1.3900 .
C48 C49 1.3900 .
C49 C50 1.3900 .
C51 C52 1.3900 .
C51 C56 1.3900 .
C52 C53 1.3900 .
C53 C54 1.3900 .
C54 C55 1.3900 .
C55 C56 1.3900 .
C57 C58 1.3900 .
C57 C62 1.3900 .
C58 C59 1.3900 .
C59 C60 1.3900 .
C60 C61 1.3900 .
C61 C62 1.3900 .
P4 C69 1.790(14) .
P4 C75 1.825(14) .
P4 C63 1.878(15) .
C63 C64 1.3900 .
C63 C68 1.3900 .
C64 C65 1.3900 .
C65 C66 1.3900 .
C66 C67 1.3900 .
C67 C68 1.3900 .
C69 C70 1.3900 .
C69 C74 1.3900 .
C70 C71 1.3900 .
C71 C72 1.3900 .
C72 C73 1.3900 .
C73 C74 1.3900 .
C75 C76 1.3900 .
C75 C80 1.3900 .
C76 C77 1.3900 .
C77 C78 1.3900 .
C78 C79 1.3900 .
C79 C80 1.3900 .
Cl1 C81 1.77(4) .
Cl2 C81 1.81(4) .
Cl3 C81 1.68(4) .
B1 F1 1.24(4) .
B1 F4 1.28(5) .
B1 F3 1.33(4) .
B1 F2 1.36(4) .
