#------------------------------------------------------------------------------
#$Date: 2018-09-02 04:04:41 +0300 (Sun, 02 Sep 2018) $
#$Revision: 210343 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/90/4329044.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_4329044
loop_
_publ_author_name
'Zhou, Yu-Peng'
'Zhang, Mei'
'Li, Yu-Hao'
'Guan, Qi-Rui'
'Wang, Fang'
'Lin, Zhuo-Jia'
'Lam, Chi-Keung'
'Feng, Xiao-Long'
'Chao, Hsiu-Yi'
_publ_section_title
;
 Mononuclear Gold(I) Acetylide Complexes with Urea Group: Synthesis,
 Characterization, Photophysics, and Anion Sensing Properties
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5099
_journal_page_last               5109
_journal_paper_doi               10.1021/ic202608r
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C72 H64 Au2 N4 O8 P2'
_chemical_formula_weight         1569.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.74(3)
_cell_angle_beta                 97.22(3)
_cell_angle_gamma                90.81(3)
_cell_formula_units_Z            2
_cell_length_a                   11.878(2)
_cell_length_b                   15.349(3)
_cell_length_c                   20.733(4)
_cell_measurement_temperature    110(2)
_cell_volume                     3668.5(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0660
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27325
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    4.090
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       prism
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.31
_platon_squeeze_details
;
;
_refine_diff_density_max         2.616
_refine_diff_density_min         -5.338
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         14026
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1111P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1596
_refine_ls_wR_factor_ref         0.1757
_reflns_number_gt                10063
_reflns_number_total             14026
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202608r_si_003.cif
_cod_data_source_block           zhao40platon
_cod_original_cell_volume        3668.7(13)
_cod_database_code               4329044
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_group
Au1 Au 1.99044(2) 0.27009(2) 0.166496(14) 0.03093(11) Uani 1 1 d . .
Au2 Au 2.08639(3) 0.21268(2) 0.292229(16) 0.04998(14) Uani 1 1 d . .
P1 P 2.14913(16) 0.34058(14) 0.14693(10) 0.0324(5) Uani 1 1 d . .
P2 P 2.0454(2) 0.32460(16) 0.37500(11) 0.0469(6) Uani 1 1 d . .
O1 O 2.0315(10) 0.6797(6) 0.0610(5) 0.094(3) Uani 1 1 d . .
O2 O 2.4560(7) 0.4733(5) 0.4006(4) 0.078(2) Uani 1 1 d . .
O3 O 2.4182(9) 0.1016(7) -0.0322(6) 0.133(4) Uani 1 1 d U .
O4 O 1.9087(9) 0.6636(5) 0.2941(5) 0.087(3) Uani 1 1 d . .
O5 O 2.3915(9) 0.3656(8) 0.6166(7) 0.128(4) Uani 1 1 d . .
O6 O 1.6826(13) 0.2309(10) 0.5257(9) 0.186(6) Uani 1 1 d U .
O7 O 1.4481(17) 0.0989(15) 0.4190(10) 0.182(9) Uani 1 1 d . .
O8 O 2.3601(4) -0.3119(4) 0.0197(3) 0.0363(12) Uani 1 1 d . .
N1 N 1.3735(8) 0.1033(7) 0.3149(7) 0.094(4) Uani 1 1 d . .
H1A H 1.3092 0.0948 0.2898 0.113 Uiso 1 1 calc R .
N3 N 2.2423(7) -0.2209(5) -0.0294(3) 0.053(2) Uani 1 1 d . .
H3A H 2.2107 -0.2133 -0.0674 0.063 Uiso 1 1 calc R .
N4 N 2.3112(5) -0.3389(4) -0.0940(3) 0.0340(15) Uani 1 1 d . .
H4A H 2.2721 -0.3193 -0.1254 0.041 Uiso 1 1 calc R .
C1 C 1.8397(6) 0.2190(6) 0.1831(4) 0.0363(19) Uani 1 1 d . .
C2 C 1.7555(6) 0.1991(6) 0.2021(4) 0.0378(19) Uani 1 1 d . .
C3 C 1.374(2) 0.0950(15) 0.3804(17) 0.151(13) Uani 1 1 d . .
C5 C 2.1282(10) 0.1099(7) 0.2254(5) 0.058(3) Uani 1 1 d . .
C6 C 2.1483(9) 0.0461(7) 0.1849(5) 0.058(3) Uani 1 1 d . .
C7 C 2.3079(6) -0.2927(5) -0.0304(4) 0.0353(18) Uani 1 1 d . .
C11 C 2.1115(7) 0.4385(6) 0.1150(4) 0.041(2) Uani 1 1 d . .
C12 C 1.9983(8) 0.4594(6) 0.1029(4) 0.045(2) Uani 1 1 d . .
H12A H 1.9418 0.4191 0.1071 0.054 Uiso 1 1 calc R .
C13 C 1.9673(10) 0.5388(8) 0.0849(5) 0.062(3) Uani 1 1 d . .
H13A H 1.8911 0.5516 0.0776 0.074 Uiso 1 1 calc R .
C14 C 2.0489(13) 0.5975(7) 0.0778(5) 0.067(3) Uani 1 1 d . .
C15 C 2.1613(12) 0.5762(6) 0.0863(6) 0.070(3) Uani 1 1 d . .
H15A H 2.2164 0.6156 0.0793 0.084 Uiso 1 1 calc R .
C16 C 2.1940(8) 0.5002(6) 0.1045(5) 0.051(2) Uani 1 1 d . .
H16A H 2.2706 0.4880 0.1101 0.061 Uiso 1 1 calc R .
C17 C 1.9241(16) 0.7057(10) 0.0589(7) 0.108(6) Uani 1 1 d . .
H17A H 1.9198 0.7627 0.0466 0.163 Uiso 1 1 calc R .
H17B H 1.8997 0.7101 0.1018 0.163 Uiso 1 1 calc R .
H17C H 1.8758 0.6629 0.0267 0.163 Uiso 1 1 calc R .
C21 C 2.2493(6) 0.3814(5) 0.2210(4) 0.0339(17) Uani 1 1 d . .
C22 C 2.2326(7) 0.4620(6) 0.2640(5) 0.047(2) Uani 1 1 d . .
H22A H 2.1718 0.4963 0.2533 0.056 Uiso 1 1 calc R .
C23 C 2.3036(8) 0.4901(7) 0.3206(5) 0.058(3) Uani 1 1 d . .
H23A H 2.2930 0.5448 0.3477 0.070 Uiso 1 1 calc R .
C24 C 2.3916(7) 0.4396(6) 0.3392(5) 0.048(2) Uani 1 1 d . .
C25 C 2.4117(7) 0.3610(6) 0.2975(5) 0.045(2) Uani 1 1 d . .
H25A H 2.4728 0.3273 0.3086 0.054 Uiso 1 1 calc R .
C26 C 2.3390(7) 0.3330(5) 0.2386(4) 0.0392(19) Uani 1 1 d . .
H26A H 2.3520 0.2797 0.2104 0.047 Uiso 1 1 calc R .
C27 C 2.5542(11) 0.4320(9) 0.4177(8) 0.103(5) Uani 1 1 d . .
H27A H 2.5889 0.4617 0.4611 0.155 Uiso 1 1 calc R .
H27B H 2.6058 0.4347 0.3860 0.155 Uiso 1 1 calc R .
H27C H 2.5364 0.3709 0.4180 0.155 Uiso 1 1 calc R .
C31 C 2.2309(6) 0.2681(6) 0.0912(4) 0.039(2) Uani 1 1 d . .
C32 C 2.1989(7) 0.1780(6) 0.0731(5) 0.046(2) Uani 1 1 d . .
H32A H 2.1384 0.1554 0.0900 0.055 Uiso 1 1 calc R .
C33 C 2.2589(9) 0.1229(8) 0.0294(5) 0.066(3) Uani 1 1 d . .
H33A H 2.2341 0.0637 0.0140 0.080 Uiso 1 1 calc R .
C34 C 2.3513(9) 0.1522(7) 0.0089(5) 0.061(3) Uani 1 1 d . .
C35 C 2.3872(8) 0.2404(8) 0.0262(5) 0.063(3) Uani 1 1 d . .
H35A H 2.4500 0.2608 0.0101 0.076 Uiso 1 1 calc R .
C36 C 2.3261(7) 0.2984(7) 0.0688(5) 0.052(2) Uani 1 1 d . .
H36A H 2.3498 0.3580 0.0823 0.062 Uiso 1 1 calc R .
C37 C 2.3885(17) 0.0125(12) -0.0526(10) 0.155(6) Uani 1 1 d U .
H37A H 2.4412 -0.0159 -0.0809 0.233 Uiso 1 1 calc R .
H37B H 2.3133 0.0054 -0.0767 0.233 Uiso 1 1 calc R .
H37C H 2.3902 -0.0143 -0.0145 0.233 Uiso 1 1 calc R .
C41 C 2.0038(8) 0.4278(6) 0.3517(5) 0.048(2) Uani 1 1 d . .
C42 C 1.9172(10) 0.4275(7) 0.2987(5) 0.061(3) Uani 1 1 d . .
H42A H 1.8817 0.3733 0.2767 0.073 Uiso 1 1 calc R .
C43 C 1.8831(10) 0.5020(7) 0.2784(5) 0.061(3) Uani 1 1 d . .
H43A H 1.8236 0.4991 0.2442 0.073 Uiso 1 1 calc R .
C44 C 1.9374(10) 0.5827(8) 0.3087(6) 0.062(3) Uani 1 1 d . .
C45 C 2.0243(11) 0.5883(7) 0.3610(6) 0.067(3) Uani 1 1 d . .
H45A H 2.0599 0.6431 0.3814 0.081 Uiso 1 1 calc R .
C46 C 2.0586(9) 0.5096(7) 0.3831(5) 0.056(3) Uani 1 1 d . .
H46A H 2.1168 0.5124 0.4180 0.067 Uiso 1 1 calc R .
C47 C 1.8151(19) 0.6623(13) 0.2453(10) 0.146(8) Uani 1 1 d . .
H47A H 1.8035 0.7215 0.2382 0.218 Uiso 1 1 calc R .
H47B H 1.7486 0.6404 0.2598 0.218 Uiso 1 1 calc R .
H47C H 1.8293 0.6241 0.2046 0.218 Uiso 1 1 calc R .
C51 C 2.1583(8) 0.3462(6) 0.4415(4) 0.046(2) Uani 1 1 d . .
C52 C 2.2633(9) 0.3108(7) 0.4336(5) 0.060(3) Uani 1 1 d . .
H52A H 2.2776 0.2835 0.3912 0.072 Uiso 1 1 calc R .
C53 C 2.3498(9) 0.3149(8) 0.4878(6) 0.070(3) Uani 1 1 d . .
H53A H 2.4209 0.2926 0.4816 0.084 Uiso 1 1 calc R .
C54 C 2.3242(11) 0.3539(9) 0.5513(6) 0.077(4) Uani 1 1 d . .
C55 C 2.2222(11) 0.3952(9) 0.5594(5) 0.077(4) Uani 1 1 d . .
H55A H 2.2098 0.4261 0.6012 0.093 Uiso 1 1 calc R .
C56 C 2.1375(11) 0.3904(8) 0.5047(5) 0.066(3) Uani 1 1 d . .
H56A H 2.0682 0.4163 0.5104 0.080 Uiso 1 1 calc R .
C57 C 2.4676(16) 0.3183(8) 0.6013(7) 0.105(6) Uani 1 1 d . .
H57A H 2.5226 0.3197 0.6397 0.157 Uiso 1 1 calc R .
H57B H 2.5031 0.3391 0.5678 0.157 Uiso 1 1 calc R .
H57C H 2.4380 0.2584 0.5842 0.157 Uiso 1 1 calc R .
C61 C 1.9318(10) 0.2954(7) 0.4152(6) 0.068(3) Uani 1 1 d . .
C62 C 1.9175(11) 0.2078(8) 0.4248(7) 0.080(4) Uani 1 1 d . .
H62A H 1.9641 0.1644 0.4057 0.096 Uiso 1 1 calc R .
C63 C 1.8408(13) 0.1847(11) 0.4595(9) 0.104(5) Uani 1 1 d . .
H63A H 1.8366 0.1263 0.4654 0.125 Uiso 1 1 calc R .
C64 C 1.7695(14) 0.2429(12) 0.4862(8) 0.104(5) Uani 1 1 d . .
C65 C 1.7770(10) 0.3288(11) 0.4797(6) 0.086(4) Uani 1 1 d . .
H65A H 1.7292 0.3701 0.5000 0.103 Uiso 1 1 calc R .
C66 C 1.8568(9) 0.3556(8) 0.4424(6) 0.069(3) Uani 1 1 d . .
H66A H 1.8591 0.4138 0.4360 0.083 Uiso 1 1 calc R .
C67 C 1.675(2) 0.1448(16) 0.5407(14) 0.198(7) Uani 1 1 d U .
H67A H 1.6154 0.1423 0.5673 0.297 Uiso 1 1 calc R .
H67B H 1.7461 0.1330 0.5647 0.297 Uiso 1 1 calc R .
H67C H 1.6597 0.1009 0.5001 0.297 Uiso 1 1 calc R .
C71 C 1.6578(6) 0.1758(6) 0.2308(5) 0.040(2) Uani 1 1 d . .
C72 C 1.6671(8) 0.1749(8) 0.2968(5) 0.061(3) Uani 1 1 d . .
H72A H 1.7366 0.1914 0.3229 0.073 Uiso 1 1 calc R .
C73 C 1.5765(10) 0.1499(9) 0.3267(7) 0.082(4) Uani 1 1 d . .
H73A H 1.5844 0.1496 0.3718 0.098 Uiso 1 1 calc R .
C74 C 1.4709(8) 0.1248(7) 0.2850(7) 0.066(3) Uani 1 1 d . .
C75 C 1.4591(8) 0.1287(7) 0.2217(7) 0.067(3) Uani 1 1 d . .
H75A H 1.3882 0.1154 0.1966 0.080 Uiso 1 1 calc R .
C76 C 1.5506(7) 0.1523(6) 0.1912(5) 0.048(2) Uani 1 1 d . .
H76A H 1.5414 0.1525 0.1461 0.058 Uiso 1 1 calc R .
C81 C 1.2578(13) 0.0978(8) 0.4846(7) 0.080(4) Uani 0.50 1 d P 1
N2 N 1.2807(15) 0.0936(16) 0.4123(13) 0.081(7) Uani 0.50 1 d P 1
H2A H 1.2187 0.0893 0.3854 0.097 Uiso 0.50 1 calc PR 1
C82 C 1.1867(17) 0.1517(18) 0.5125(12) 0.064(6) Uani 0.50 1 d P 1
H82A H 1.1417 0.1831 0.4859 0.077 Uiso 0.50 1 calc PR 1
C83 C 1.173(2) 0.1661(16) 0.5789(18) 0.088(10) Uani 0.50 1 d P 1
H83A H 1.1157 0.2015 0.5953 0.106 Uiso 0.50 1 calc PR 1
C84 C 1.245(3) 0.127(2) 0.620(2) 0.118(14) Uani 0.50 1 d P 1
H84A H 1.2415 0.1368 0.6650 0.141 Uiso 0.50 1 calc PR 1
C85 C 1.323(4) 0.072(2) 0.5919(19) 0.126(14) Uani 0.50 1 d P 1
H85A H 1.3700 0.0428 0.6190 0.151 Uiso 0.50 1 calc PR 1
C86 C 1.335(2) 0.0595(14) 0.528(2) 0.091(10) Uani 0.50 1 d P 1
H86A H 1.3934 0.0256 0.5118 0.110 Uiso 0.50 1 calc PR 1
N2A N 1.2410(15) 0.0600(12) 0.3662(10) 0.055(4) Uani 0.50 1 d P 2
H2AA H 1.2043 0.0449 0.3269 0.067 Uiso 0.50 1 calc PR 2
C81A C 1.192(2) 0.0569(15) 0.4234(11) 0.069(6) Uani 0.50 1 d P 2
C82A C 1.0800(18) 0.0199(14) 0.4139(11) 0.061(6) Uani 0.50 1 d P 2
H82B H 1.0423 -0.0014 0.3713 0.073 Uiso 0.50 1 calc PR 2
C83A C 1.027(2) 0.0158(18) 0.4700(14) 0.076(7) Uani 0.50 1 d P 2
H83B H 0.9503 -0.0082 0.4636 0.092 Uiso 0.50 1 d PR 2
C84A C 1.073(3) 0.0502(18) 0.5318(17) 0.093(9) Uani 0.50 1 d P 2
H84B H 1.0394 0.0366 0.5685 0.112 Uiso 0.50 1 d PR 2
C85A C 1.180(2) 0.095(2) 0.5423(16) 0.094(10) Uani 0.50 1 d P 2
H85B H 1.2078 0.1254 0.5850 0.113 Uiso 0.50 1 d PR 2
C86A C 1.2578(13) 0.0978(8) 0.4846(7) 0.080(4) Uani 0.50 1 d P 2
H86B H 1.3316 0.1217 0.4900 0.096 Uiso 0.50 1 calc PR 2
C91 C 2.1714(8) -0.0244(6) 0.1307(4) 0.050(2) Uani 1 1 d . .
C92 C 2.2733(9) -0.0706(7) 0.1352(5) 0.070(4) Uani 1 1 d . .
H92A H 2.3247 -0.0570 0.1738 0.084 Uiso 1 1 calc R .
C93 C 2.2971(8) -0.1351(7) 0.0830(5) 0.064(3) Uani 1 1 d . .
H93A H 2.3653 -0.1640 0.0860 0.077 Uiso 1 1 calc R .
C94 C 2.2199(8) -0.1574(6) 0.0261(4) 0.050(2) Uani 1 1 d . .
C95 C 2.1192(8) -0.1147(6) 0.0224(4) 0.052(3) Uani 1 1 d . .
H95A H 2.0662 -0.1309 -0.0154 0.062 Uiso 1 1 calc R .
C96 C 2.0957(7) -0.0483(6) 0.0738(4) 0.049(2) Uani 1 1 d . .
H96A H 2.0277 -0.0194 0.0699 0.059 Uiso 1 1 calc R .
C101 C 2.3731(6) -0.4157(5) -0.1123(4) 0.0364(19) Uani 1 1 d . .
C102 C 2.3939(9) -0.4770(6) -0.0733(5) 0.056(3) Uani 1 1 d . .
H10A H 2.3686 -0.4682 -0.0319 0.067 Uiso 1 1 calc R .
C103 C 2.4531(10) -0.5529(7) -0.0957(6) 0.076(4) Uani 1 1 d . .
H10B H 2.4657 -0.5952 -0.0694 0.091 Uiso 1 1 calc R .
C104 C 2.4917(9) -0.5651(7) -0.1545(7) 0.071(4) Uani 1 1 d . .
H10C H 2.5310 -0.6159 -0.1688 0.085 Uiso 1 1 calc R .
C105 C 2.4743(9) -0.5042(7) -0.1937(7) 0.072(4) Uani 1 1 d . .
H10D H 2.5026 -0.5122 -0.2342 0.087 Uiso 1 1 calc R .
C106 C 2.4130(8) -0.4292(6) -0.1717(6) 0.054(3) Uani 1 1 d . .
H10E H 2.3993 -0.3877 -0.1985 0.064 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'
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'
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
C1 Au1 P1 173.9(2) . .
C1 Au1 Au2 84.8(2) . .
P1 Au1 Au2 98.90(6) . .
C5 Au2 P2 175.4(3) . .
C5 Au2 Au1 80.4(3) . .
P2 Au2 Au1 104.21(7) . .
C11 P1 C21 104.7(4) . .
C11 P1 C31 110.5(4) . .
C21 P1 C31 104.5(4) . .
C11 P1 Au1 110.3(3) . .
C21 P1 Au1 113.8(3) . .
C31 P1 Au1 112.7(3) . .
C61 P2 C51 101.6(5) . .
C61 P2 C41 103.8(5) . .
C51 P2 C41 109.7(4) . .
C61 P2 Au2 112.7(4) . .
C51 P2 Au2 111.1(3) . .
C41 P2 Au2 116.7(3) . .
C17 O1 C14 115.1(12) . .
C27 O2 C24 118.6(10) . .
C34 O3 C37 117.0(11) . .
C44 O4 C47 116.1(12) . .
C57 O5 C54 98.4(15) . .
C67 O6 C64 114.7(16) . .
C3 N1 C74 125.9(16) . .
C3 N1 C5 118.1(13) . 1_455
C74 N1 C5 115.0(9) . 1_455
C3 N1 Au2 98.4(10) . 1_455
C74 N1 Au2 123.6(7) . 1_455
C5 N1 Au2 31.20(18) 1_455 1_455
C7 N3 C94 127.9(7) . .
C7 N3 C1 105.2(5) . 2_955
C94 N3 C1 126.8(5) . 2_955
C7 N3 Au1 109.6(5) . 2_955
C94 N3 Au1 115.2(5) . 2_955
C1 N3 Au1 33.77(16) 2_955 2_955
C7 N4 C101 125.7(7) . .
C7 N4 C1 102.7(5) . 2_955
C101 N4 C1 131.5(5) . 2_955
C7 N4 C2 108.9(5) . 2_955
C101 N4 C2 121.0(5) . 2_955
C1 N4 C2 20.03(19) 2_955 2_955
C7 N4 Au1 95.7(4) . 2_955
C101 N4 Au1 131.5(5) . 2_955
C1 N4 Au1 31.05(16) 2_955 2_955
C2 N4 Au1 50.86(15) 2_955 2_955
C2 C1 Au1 169.4(7) . .
C1 C2 C71 175.1(9) . .
O7 C3 N2 106(3) . .
O7 C3 N1 128(2) . .
N2 C3 N1 126(3) . .
O7 C3 N2A 139(2) . .
N2 C3 N2A 39.3(13) . .
N1 C3 N2A 92(2) . .
C6 C5 Au2 176.8(11) . .
C5 C6 C91 173.6(11) . .
O8 C7 N3 123.9(7) . .
O8 C7 N4 124.7(7) . .
N3 C7 N4 111.4(7) . .
C12 C11 C16 116.7(9) . .
C12 C11 P1 120.6(7) . .
C16 C11 P1 122.6(7) . .
C13 C12 C11 121.8(9) . .
C14 C13 C12 119.6(10) . .
C13 C14 C15 119.6(9) . .
C13 C14 O1 126.3(12) . .
C15 C14 O1 114.1(11) . .
C16 C15 C14 122.1(10) . .
C15 C16 C11 120.1(10) . .
C26 C21 C22 117.9(7) . .
C26 C21 P1 121.4(6) . .
C22 C21 P1 120.6(6) . .
C23 C22 C21 120.6(8) . .
C22 C23 C24 121.3(9) . .
C23 C24 C25 119.5(8) . .
C23 C24 O2 116.1(9) . .
C25 C24 O2 124.4(9) . .
C24 C25 C26 118.9(8) . .
C21 C26 C25 121.8(8) . .
C36 C31 C32 119.2(8) . .
C36 C31 P1 122.6(7) . .
C32 C31 P1 118.2(6) . .
C33 C32 C31 118.5(9) . .
C34 C33 C32 121.8(10) . .
C33 C34 O3 125.6(11) . .
C33 C34 C35 121.6(9) . .
O3 C34 C35 112.7(10) . .
C34 C35 C36 117.8(9) . .
C31 C36 C35 120.9(9) . .
C46 C41 C42 117.8(9) . .
C46 C41 P2 122.0(8) . .
C42 C41 P2 120.2(7) . .
C43 C42 C41 123.1(10) . .
C42 C43 C44 119.5(11) . .
O4 C44 C43 125.2(11) . .
O4 C44 C45 113.9(11) . .
C43 C44 C45 120.8(10) . .
C44 C45 C46 119.5(10) . .
C41 C46 C45 119.3(10) . .
C52 C51 C56 119.4(10) . .
C52 C51 P2 120.5(7) . .
C56 C51 P2 119.7(8) . .
C51 C52 C53 122.1(10) . .
C54 C53 C52 117.5(11) . .
C55 C54 C53 120.9(10) . .
C55 C54 O5 107.9(12) . .
C53 C54 O5 131.2(13) . .
C55 C54 C57 143.4(10) . .
C53 C54 C57 95.7(10) . .
O5 C54 C57 36.0(6) . .
C54 C55 C56 120.3(11) . .
C51 C56 C55 119.5(11) . .
O5 C57 C54 45.6(11) . .
C66 C61 C62 115.7(12) . .
C66 C61 P2 123.6(9) . .
C62 C61 P2 120.5(9) . .
C63 C62 C61 122.8(14) . .
C62 C63 C64 121.4(14) . .
C63 C64 C65 119.9(14) . .
C63 C64 O6 129.5(16) . .
C65 C64 O6 110.5(16) . .
C64 C65 C66 120.2(13) . .
C61 C66 C65 119.8(12) . .
C72 C71 C76 118.6(8) . .
C72 C71 C2 120.1(8) . .
C76 C71 C2 121.2(8) . .
C71 C72 C73 122.5(10) . .
C72 C73 C74 117.3(11) . .
C75 C74 C73 121.0(9) . .
C75 C74 N1 119.9(11) . .
C73 C74 N1 118.8(12) . .
C74 C75 C76 121.8(10) . .
C75 C76 C71 118.7(10) . .
C82 C81 C86 116(2) . .
C82 C81 N2 122.4(17) . .
C86 C81 N2 120(2) . .
C3 N2 C81 136(2) . .
C3 N2 Au2 95.2(16) . 1_455
C81 N2 Au2 121.3(11) . 1_455
C81 C82 C83 125(2) . .
C84 C83 C82 118(3) . .
C85 C84 C83 118(4) . .
C86 C85 C84 123(4) . .
C85 C86 C81 120(3) . .
C81A N2A C3 114.3(19) . .
C81A N2A C5 129.7(14) . 1_455
C3 N2A C5 108.0(12) . 1_455
C81A N2A Au2 105.0(13) . 1_455
C3 N2A Au2 107.8(10) . 1_455
C5 N2A Au2 34.0(2) 1_455 1_455
N2A C81A C82A 116.6(19) . .
C83A C82A C81A 119(2) . .
C84A C83A C82A 124(2) . .
C84A C83A C84A 112(2) . 2_756
C82A C83A C84A 123(3) . 2_756
C84A C83A C83A 62(2) . 2_756
C82A C83A C83A 165(3) . 2_756
C84A C83A C83A 49.6(17) 2_756 2_756
C83A C84A C85A 119(3) . .
C83A C84A C83A 68(2) . 2_756
C85A C84A C83A 165(3) . 2_756
C96 C91 C92 118.1(7) . .
C96 C91 C6 121.3(8) . .
C92 C91 C6 120.6(8) . .
C93 C92 C91 120.6(8) . .
C92 C93 C94 120.1(8) . .
C95 C94 C93 119.5(8) . .
C95 C94 N3 118.5(7) . .
C93 C94 N3 122.0(8) . .
C94 C95 C96 121.0(8) . .
C91 C96 C95 120.8(8) . .
C106 C101 C102 118.8(8) . .
C106 C101 N4 118.0(8) . .
C102 C101 N4 123.2(8) . .
C101 C102 C103 120.0(10) . .
C104 C103 C102 120.4(11) . .
C103 C104 C105 120.8(10) . .
C104 C105 C106 118.6(11) . .
C101 C106 C105 121.4(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.041(9) .
Au1 P1 2.281(2) .
Au1 Au2 3.0145(9) .
Au2 C5 1.990(9) .
Au2 P2 2.273(2) .
P1 C11 1.802(9) .
P1 C21 1.814(8) .
P1 C31 1.819(8) .
P2 C61 1.771(13) .
P2 C51 1.773(10) .
P2 C41 1.806(10) .
O1 C17 1.341(18) .
O1 C14 1.387(13) .
O2 C27 1.377(13) .
O2 C24 1.396(10) .
O3 C34 1.371(11) .
O3 C37 1.374(19) .
O4 C44 1.374(13) .
O4 C47 1.40(2) .
O5 C57 1.201(15) .
O5 C54 1.460(16) .
O6 C67 1.42(2) .
O6 C64 1.428(18) .
O7 C3 1.10(3) .
O8 C7 1.231(9) .
N1 C3 1.39(3) .
N1 C74 1.443(14) .
N1 C5 3.266(16) 1_455
N1 Au2 3.841(10) 1_455
N3 C7 1.357(10) .
N3 C94 1.405(10) .
N3 C1 3.219(10) 2_955
N3 Au1 3.658(7) 2_955
N4 C7 1.369(10) .
N4 C101 1.411(10) .
N4 C1 3.265(10) 2_955
N4 C2 3.437(11) 2_955
N4 Au1 3.951(6) 2_955
C1 C2 1.178(11) .
C2 C71 1.441(11) .
C3 N2 1.37(3) .
C3 N2A 1.64(3) .
C5 C6 1.202(12) .
C6 C91 1.449(12) .
C11 C12 1.391(12) .
C11 C16 1.420(13) .
C12 C13 1.386(13) .
C13 C14 1.355(16) .
C14 C15 1.378(17) .
C15 C16 1.344(14) .
C21 C26 1.362(11) .
C21 C22 1.403(12) .
C22 C23 1.345(12) .
C23 C24 1.374(13) .
C24 C25 1.376(13) .
C25 C26 1.391(11) .
C31 C36 1.383(12) .
C31 C32 1.392(12) .
C32 C33 1.383(12) .
C33 C34 1.330(14) .
C34 C35 1.374(15) .
C35 C36 1.400(13) .
C41 C46 1.400(13) .
C41 C42 1.406(14) .
C42 C43 1.348(14) .
C43 C44 1.379(15) .
C44 C45 1.388(16) .
C45 C46 1.425(15) .
C51 C52 1.383(14) .
C51 C56 1.400(13) .
C52 C53 1.416(14) .
C53 C54 1.403(17) .
C54 C55 1.388(18) .
C54 C57 2.02(2) .
C55 C56 1.408(15) .
C61 C66 1.379(15) .
C61 C62 1.410(15) .
C62 C63 1.316(18) .
C63 C64 1.33(2) .
C64 C65 1.36(2) .
C65 C66 1.403(17) .
C71 C72 1.362(13) .
C71 C76 1.425(11) .
C72 C73 1.392(14) .
C73 C74 1.431(16) .
C74 C75 1.315(16) .
C75 C76 1.402(14) .
C81 C82 1.30(3) .
C81 C86 1.42(3) .
C81 N2 1.54(3) .
N2 Au2 3.92(2) 1_455
C82 C83 1.38(4) .
C83 C84 1.36(5) .
C84 C85 1.35(4) .
C85 C86 1.32(4) .
N2A C81A 1.40(3) .
N2A C5 3.29(2) 1_455
N2A Au2 3.477(19) 1_455
C81A C82A 1.41(3) .
C82A C83A 1.40(3) .
C83A C84A 1.33(4) .
C83A C84A 1.54(3) 2_756
C83A C83A 1.62(5) 2_756
C84A C85A 1.41(4) .
C84A C83A 1.54(3) 2_756
C91 C96 1.372(11) .
C91 C92 1.414(12) .
C92 C93 1.371(12) .
C93 C94 1.380(12) .
C94 C95 1.373(11) .
C95 C96 1.375(12) .
C101 C106 1.353(13) .
C101 C102 1.366(13) .
C102 C103 1.397(14) .
C103 C104 1.335(16) .
C104 C105 1.361(17) .
C105 C106 1.399(13) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.011 0.157 0.766 314 107 ' '
2 -0.012 0.843 0.234 314 107 ' '
