#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:27:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179481 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/78/4337853.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_4337853
loop_
_publ_author_name
'Cheng, Eddie Chung-Chin'
'Lo, Wing-Yin'
'Lee, Terence Kwok-Ming'
'Zhu, Nianyong'
'Yam, Vivian Wing-Wah'
_publ_section_title
;
 Synthesis, Characterization, and Luminescence Studies of Discrete
 Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular
 Aurophilic Contacts.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3854
_journal_paper_doi               10.1021/ic500215d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C120 H126 Au10 Cl22 N4 O8 P8 Se4'
_chemical_formula_sum            'C120 H126 Au10 Cl22 N4 O8 P8 Se4'
_chemical_formula_weight         5065.41
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.49(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.734(4)
_cell_length_b                   34.153(7)
_cell_length_c                   24.686(5)
_cell_measurement_temperature    253(2)
_cell_volume                     14890(6)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.811
_diffrn_measured_fraction_theta_max 0.811
_diffrn_measurement_device_type  'Marresearch imaging plate mar300'
_diffrn_measurement_method       Oscillation
_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  0.0907
_diffrn_reflns_av_sigmaI/netI    0.1366
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            40776
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    11.322
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             9432
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.960
_refine_diff_density_min         -3.804
_refine_diff_density_rms         0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         11074
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      0.887
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0721P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                6112
_reflns_number_total             11074
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500215d_si_002.cif
_cod_data_source_block           mar818
_cod_depositor_comments
'Adding full bibliography for 4337851--4337855.cif.'
_cod_original_cell_volume        14890(5)
_cod_database_code               4337853
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.67618(4) 0.12514(2) 0.80947(3) 0.0600(2) Uani 1 1 d .
Au2 Au 0.58880(4) 0.165993(19) 0.87593(3) 0.0564(2) Uani 1 1 d .
Au3 Au 0.5000 0.13614(3) 0.7500 0.0552(3) Uani 1 2 d S
Au4 Au 0.64772(4) 0.198765(19) 0.72638(3) 0.0548(2) Uani 1 1 d .
Au5 Au 0.51935(4) 0.238550(19) 0.63152(3) 0.0521(2) Uani 1 1 d .
Au6 Au 0.5000 0.22837(3) 0.7500 0.0497(3) Uani 1 2 d S
Se1 Se 0.60109(11) 0.13159(5) 0.70894(7) 0.0580(5) Uani 1 1 d .
Se2 Se 0.59641(9) 0.23337(5) 0.84519(6) 0.0489(4) Uani 1 1 d .
P1 P 0.7486(3) 0.11512(13) 0.90218(19) 0.0639(14) Uani 1 1 d .
P2 P 0.6066(3) 0.10904(13) 0.92647(19) 0.0651(15) Uani 1 1 d .
P3 P 0.7130(3) 0.25526(13) 0.72841(18) 0.0551(12) Uani 1 1 d .
P4 P 0.6249(3) 0.24601(13) 0.60728(18) 0.0549(12) Uani 1 1 d .
N1 N 0.6981(8) 0.0959(4) 0.9414(6) 0.061(4) Uani 1 1 d .
N2 N 0.6977(8) 0.2683(4) 0.6592(5) 0.055(4) Uani 1 1 d .
C1 C 0.7298(12) 0.0613(6) 0.9802(8) 0.100(8) Uani 1 1 d .
H1A H 0.7630 0.0465 0.9649 0.120 Uiso 1 1 calc R
H1B H 0.6885 0.0442 0.9804 0.120 Uiso 1 1 calc R
C2 C 0.7742(12) 0.0736(6) 1.0422(9) 0.105(8) Uani 1 1 d .
H2A H 0.7415 0.0878 1.0587 0.126 Uiso 1 1 calc R
H2B H 0.8163 0.0903 1.0430 0.126 Uiso 1 1 calc R
C3 C 0.8036(16) 0.0352(8) 1.0771(12) 0.191(17) Uani 1 1 d .
H3A H 0.7627 0.0169 1.0700 0.287 Uiso 1 1 calc R
H3B H 0.8232 0.0412 1.1173 0.287 Uiso 1 1 calc R
H3C H 0.8430 0.0240 1.0652 0.287 Uiso 1 1 calc R
C4 C 0.7918(10) 0.1592(5) 0.9373(7) 0.058(5) Uani 1 1 d .
C5 C 0.7907(12) 0.1724(5) 0.9907(7) 0.078(6) Uani 1 1 d .
H5 H 0.7668 0.1579 1.0115 0.093 Uiso 1 1 calc R
C6 C 0.8244(14) 0.2061(6) 1.0110(9) 0.094(8) Uani 1 1 d .
H6 H 0.8231 0.2148 1.0464 0.113 Uiso 1 1 calc R
C7 C 0.8597(15) 0.2279(6) 0.9835(9) 0.101(9) Uani 1 1 d .
H7 H 0.8817 0.2513 1.0000 0.121 Uiso 1 1 calc R
C8 C 0.8646(14) 0.2172(6) 0.9330(10) 0.102(8) Uani 1 1 d .
H8 H 0.8903 0.2326 0.9145 0.123 Uiso 1 1 calc R
C9 C 0.8291(13) 0.1812(6) 0.9080(9) 0.089(7) Uani 1 1 d .
H9 H 0.8312 0.1728 0.8727 0.107 Uiso 1 1 calc R
C10 C 0.8223(11) 0.0814(5) 0.9109(8) 0.086(7) Uani 1 1 d .
C11 C 0.8924(11) 0.0848(6) 0.9530(9) 0.092(7) Uani 1 1 d .
H11 H 0.9018 0.1047 0.9802 0.110 Uiso 1 1 calc R
C12 C 0.9487(14) 0.0578(9) 0.9540(16) 0.170(15) Uani 1 1 d .
H12 H 0.9947 0.0586 0.9840 0.204 Uiso 1 1 calc R
C13 C 0.938(2) 0.0303(10) 0.9120(17) 0.23(3) Uani 1 1 d .
H13 H 0.9785 0.0150 0.9111 0.278 Uiso 1 1 calc R
C14 C 0.8734(17) 0.0252(10) 0.8741(15) 0.193(19) Uani 1 1 d .
H14 H 0.8654 0.0041 0.8490 0.232 Uiso 1 1 calc R
C15 C 0.8139(15) 0.0515(7) 0.8701(12) 0.147(13) Uani 1 1 d .
H15 H 0.7683 0.0491 0.8400 0.177 Uiso 1 1 calc R
C16 C 0.5931(11) 0.1159(5) 0.9937(7) 0.070(6) Uani 1 1 d .
C17 C 0.5796(12) 0.0852(7) 1.0284(9) 0.099(8) Uani 1 1 d .
H17 H 0.5783 0.0598 1.0148 0.119 Uiso 1 1 calc R
C18 C 0.5678(15) 0.0905(9) 1.0817(9) 0.120(10) Uani 1 1 d .
H18 H 0.5574 0.0698 1.1023 0.145 Uiso 1 1 calc R
C19 C 0.5732(13) 0.1295(8) 1.1011(8) 0.096(8) Uani 1 1 d .
H19 H 0.5657 0.1351 1.1357 0.115 Uiso 1 1 calc R
C20 C 0.5895(14) 0.1598(6) 1.0694(8) 0.095(8) Uani 1 1 d .
H20 H 0.5962 0.1851 1.0841 0.114 Uiso 1 1 calc R
C21 C 0.5955(11) 0.1526(6) 1.0183(8) 0.073(6) Uani 1 1 d .
H21 H 0.6018 0.1741 0.9971 0.088 Uiso 1 1 calc R
C22 C 0.5486(14) 0.0667(5) 0.8922(9) 0.081(7) Uani 1 1 d .
C23 C 0.4808(14) 0.0611(6) 0.8969(9) 0.089(7) Uani 1 1 d .
H23 H 0.4652 0.0776 0.9207 0.106 Uiso 1 1 calc R
C24 C 0.4309(17) 0.0306(8) 0.8668(12) 0.137(14) Uani 1 1 d .
H24 H 0.3823 0.0276 0.8683 0.164 Uiso 1 1 calc R
C25 C 0.4625(19) 0.0045(9) 0.8334(13) 0.130(13) Uani 1 1 d .
H25 H 0.4349 -0.0173 0.8153 0.156 Uiso 1 1 calc R
C26 C 0.5315(19) 0.0115(7) 0.8283(9) 0.120(11) Uani 1 1 d .
H26 H 0.5488 -0.0042 0.8044 0.144 Uiso 1 1 calc R
C27 C 0.5775(13) 0.0430(6) 0.8597(8) 0.086(7) Uani 1 1 d .
H27 H 0.6258 0.0472 0.8582 0.103 Uiso 1 1 calc R
C28 C 0.7417(11) 0.3020(5) 0.6461(7) 0.069(6) Uani 1 1 d .
H28A H 0.7648 0.3171 0.6808 0.083 Uiso 1 1 calc R
H28B H 0.7073 0.3190 0.6178 0.083 Uiso 1 1 calc R
C29 C 0.8033(11) 0.2871(6) 0.6233(8) 0.077(6) Uani 1 1 d .
H29A H 0.7816 0.2706 0.5898 0.092 Uiso 1 1 calc R
H29B H 0.8411 0.2722 0.6525 0.092 Uiso 1 1 calc R
C30 C 0.8386(15) 0.3245(8) 0.6072(11) 0.132(10) Uani 1 1 d .
H30A H 0.7998 0.3395 0.5798 0.197 Uiso 1 1 calc R
H30B H 0.8766 0.3173 0.5909 0.197 Uiso 1 1 calc R
H30C H 0.8613 0.3400 0.6411 0.197 Uiso 1 1 calc R
C31 C 0.8150(9) 0.2495(6) 0.7618(7) 0.058(5) Uani 1 1 d .
C32 C 0.8643(10) 0.2799(6) 0.7771(7) 0.068(5) Uani 1 1 d .
H32 H 0.8470 0.3056 0.7725 0.082 Uiso 1 1 calc R
C33 C 0.9421(12) 0.2715(8) 0.8003(9) 0.098(7) Uani 1 1 d .
H33 H 0.9760 0.2923 0.8109 0.117 Uiso 1 1 calc R
C34 C 0.9696(14) 0.2351(9) 0.8077(10) 0.105(9) Uani 1 1 d .
H34 H 1.0214 0.2304 0.8231 0.126 Uiso 1 1 calc R
C35 C 0.9187(14) 0.2047(8) 0.7917(11) 0.105(8) Uani 1 1 d .
H35 H 0.9370 0.1792 0.7971 0.126 Uiso 1 1 calc R
C36 C 0.8435(10) 0.2103(6) 0.7685(8) 0.076(6) Uani 1 1 d .
H36 H 0.8107 0.1891 0.7570 0.091 Uiso 1 1 calc R
C37 C 0.6898(10) 0.2978(5) 0.7643(8) 0.058(5) Uani 1 1 d .
C38 C 0.7283(11) 0.3034(6) 0.8206(8) 0.069(5) Uani 1 1 d .
H38 H 0.7697 0.2878 0.8401 0.083 Uiso 1 1 calc R
C39 C 0.7030(14) 0.3340(7) 0.8493(9) 0.094(7) Uani 1 1 d .
H39 H 0.7250 0.3375 0.8888 0.112 Uiso 1 1 calc R
C40 C 0.6453(15) 0.3585(7) 0.8173(11) 0.109(9) Uani 1 1 d .
H40 H 0.6328 0.3805 0.8344 0.131 Uiso 1 1 calc R
C41 C 0.6073(14) 0.3507(9) 0.7617(12) 0.142(13) Uani 1 1 d .
H41 H 0.5651 0.3656 0.7419 0.170 Uiso 1 1 calc R
C42 C 0.6301(11) 0.3213(6) 0.7339(8) 0.074(6) Uani 1 1 d .
H42 H 0.6055 0.3170 0.6949 0.089 Uiso 1 1 calc R
C43 C 0.6084(9) 0.2757(5) 0.5448(7) 0.055(5) Uani 1 1 d .
C44 C 0.5640(12) 0.3079(7) 0.5381(9) 0.089(7) Uani 1 1 d .
H44 H 0.5432 0.3138 0.5664 0.107 Uiso 1 1 calc R
C45 C 0.5485(13) 0.3321(7) 0.4910(10) 0.099(7) Uani 1 1 d .
H45 H 0.5174 0.3539 0.4876 0.119 Uiso 1 1 calc R
C46 C 0.5792(15) 0.3239(8) 0.4494(10) 0.105(8) Uani 1 1 d .
H46 H 0.5680 0.3394 0.4167 0.126 Uiso 1 1 calc R
C47 C 0.6279(15) 0.2916(8) 0.4563(9) 0.108(8) Uani 1 1 d .
H47 H 0.6518 0.2869 0.4295 0.129 Uiso 1 1 calc R
C48 C 0.6402(12) 0.2670(6) 0.5023(8) 0.079(6) Uani 1 1 d .
C49 C 0.6597(10) 0.2004(5) 0.5914(7) 0.054(5) Uani 1 1 d .
C50 C 0.7319(11) 0.1869(6) 0.6148(9) 0.073(6) Uani 1 1 d .
H50 H 0.7687 0.2025 0.6402 0.087 Uiso 1 1 calc R
C51 C 0.7502(12) 0.1505(7) 0.6011(10) 0.098(8) Uani 1 1 d .
H51 H 0.7993 0.1414 0.6184 0.117 Uiso 1 1 calc R
C52 C 0.7003(16) 0.1276(6) 0.5638(10) 0.101(8) Uani 1 1 d .
H52 H 0.7145 0.1027 0.5562 0.121 Uiso 1 1 calc R
C53 C 0.6303(15) 0.1400(6) 0.5373(9) 0.097(8) Uani 1 1 d .
H53 H 0.5972 0.1244 0.5092 0.116 Uiso 1 1 calc R
C54 C 0.6057(12) 0.1752(6) 0.5505(7) 0.080(6) Uani 1 1 d .
H54 H 0.5555 0.1828 0.5336 0.096 Uiso 1 1 calc R
Cl1 Cl 0.5000 0.4702(4) 0.7500 0.163(6) Uani 1 2 d S
O1 O -0.0629(18) 0.3640(10) 0.7518(14) 0.260(14) Uiso 1 1 d .
O2 O -0.0139(17) 0.4090(9) 0.7050(12) 0.228(12) Uiso 1 1 d .
Cl2 Cl 0.0000 0.3892(3) 0.7500 0.138(5) Uani 1 2 d S
O3 O 0.507(3) 0.4898(15) 0.7011(19) 0.37(2) Uiso 1 1 d .
O4 O 0.445(3) 0.4435(17) 0.730(2) 0.45(3) Uiso 1 1 d .
Cl3 Cl 0.6076(6) 0.0349(2) 0.4823(4) 0.170(4) Uani 1 1 d .
Cl4 Cl 0.7242(8) 0.0541(5) 0.4383(7) 0.281(7) Uani 1 1 d .
C55 C 0.6450(17) 0.0597(10) 0.4334(13) 0.150(11) Uiso 1 1 d .
H55A H 0.6143 0.0521 0.3947 0.180 Uiso 1 1 calc R
H55B H 0.6373 0.0875 0.4368 0.180 Uiso 1 1 calc R
Cl5 Cl 0.4836(6) 0.3801(4) 0.6093(4) 0.191(4) Uani 1 1 d D
Cl6 Cl 0.6160(8) 0.4132(4) 0.5995(5) 0.248(6) Uani 1 1 d D
C56 C 0.5453(14) 0.4183(9) 0.6301(14) 0.170(13) Uiso 1 1 d D
H56A H 0.5675 0.4186 0.6716 0.204 Uiso 1 1 calc R
H56B H 0.5186 0.4428 0.6178 0.204 Uiso 1 1 calc R
Cl7 Cl 0.8447(16) 0.0989(9) 0.7487(11) 0.475(11) Uiso 1 1 d D
Cl8 Cl 0.7954(15) 0.0447(9) 0.6799(11) 0.475(11) Uiso 1 1 d D
C57 C 0.760(2) 0.0772(13) 0.716(2) 0.28(3) Uiso 1 1 d D
Cl9 Cl 0.8837(17) 0.0647(9) 0.5730(13) 0.539(18) Uiso 1 1 d D
Cl10 Cl 0.9660(17) 0.1026(9) 0.6827(10) 0.510(16) Uiso 1 1 d D
C58 C 0.915(3) 0.0635(13) 0.6466(15) 0.29(3) Uiso 1 1 d D
Cl11 Cl 0.2928(11) -0.0300(6) 0.7145(8) 0.282(8) Uiso 0.80 1 d PD
Cl12 Cl 0.2775(15) -0.0974(8) 0.7499(11) 0.363(12) Uiso 0.80 1 d PD
C59 C 0.240(3) -0.0221(11) 0.7644(18) 0.46(3) Uiso 1 1 d D
C60 C 0.277(3) -0.0648(11) 0.8089(16) 0.52(3) Uiso 1 1 d D
Cl13 Cl 0.277(3) -0.0648(11) 0.8089(16) 0.52(3) Uiso 0.20 1 d PD
Cl14 Cl 0.240(3) -0.0221(11) 0.7644(18) 0.46(3) Uiso 0.20 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
P1 Au1 Se1 176.23(13) . .
P1 Au1 Au2 76.77(14) . .
Se1 Au1 Au2 106.28(5) . .
P1 Au1 Au3 132.02(15) . .
Se1 Au1 Au3 49.62(5) . .
Au2 Au1 Au3 61.65(3) . .
P1 Au1 Au4 133.44(12) . .
Se1 Au1 Au4 49.51(4) . .
Au2 Au1 Au4 88.88(3) . .
Au3 Au1 Au4 71.41(3) . .
P2 Au2 Se2 164.42(12) . .
P2 Au2 Au1 84.04(15) . .
Se2 Au2 Au1 99.68(5) . .
P2 Au2 Au3 101.30(12) . .
Se2 Au2 Au3 93.69(4) . .
Au1 Au2 Au3 61.31(3) . .
P2 Au2 Au5 132.43(15) . 2_656
Se2 Au2 Au5 49.25(5) . 2_656
Au1 Au2 Au5 141.50(3) . 2_656
Au3 Au2 Au5 94.51(3) . 2_656
Se1 Au3 Se1 172.68(9) 2_656 .
Se1 Au3 Au6 93.66(4) 2_656 .
Se1 Au3 Au6 93.66(4) . .
Se1 Au3 Au1 129.60(4) 2_656 .
Se1 Au3 Au1 49.26(4) . .
Au6 Au3 Au1 96.84(2) . .
Se1 Au3 Au1 49.26(4) 2_656 2_656
Se1 Au3 Au1 129.60(4) . 2_656
Au6 Au3 Au1 96.84(2) . 2_656
Au1 Au3 Au1 166.33(4) . 2_656
Se1 Au3 Au2 80.71(5) 2_656 .
Se1 Au3 Au2 101.69(5) . .
Au6 Au3 Au2 71.21(2) . .
Au1 Au3 Au2 57.05(3) . .
Au1 Au3 Au2 128.36(3) 2_656 .
Se1 Au3 Au2 101.69(5) 2_656 2_656
Se1 Au3 Au2 80.71(5) . 2_656
Au6 Au3 Au2 71.21(2) . 2_656
Au1 Au3 Au2 128.36(3) . 2_656
Au1 Au3 Au2 57.05(3) 2_656 2_656
Au2 Au3 Au2 142.42(4) . 2_656
P3 Au4 Se1 163.45(14) . .
P3 Au4 Au5 85.39(11) . .
Se1 Au4 Au5 97.98(5) . .
P3 Au4 Au1 133.15(11) . .
Se1 Au4 Au1 48.92(4) . .
Au5 Au4 Au1 139.99(3) . .
P3 Au4 Au6 102.74(13) . .
Se1 Au4 Au6 92.81(5) . .
Au5 Au4 Au6 59.25(2) . .
Au1 Au4 Au6 95.86(3) . .
P4 Au5 Se2 177.22(12) . 2_656
P4 Au5 Au4 73.70(11) . .
Se2 Au5 Au4 108.82(5) 2_656 .
P4 Au5 Au6 130.75(11) . .
Se2 Au5 Au6 50.99(4) 2_656 .
Au4 Au5 Au6 62.30(3) . .
P4 Au5 Au2 132.16(12) . 2_656
Se2 Au5 Au2 49.63(4) 2_656 2_656
Au4 Au5 Au2 91.22(3) . 2_656
Au6 Au5 Au2 72.04(3) . 2_656
Se2 Au6 Se2 171.99(8) . 2_656
Se2 Au6 Au5 50.49(5) . 2_656
Se2 Au6 Au5 128.35(5) 2_656 2_656
Se2 Au6 Au5 128.35(5) . .
Se2 Au6 Au5 50.49(5) 2_656 .
Au5 Au6 Au5 167.05(4) 2_656 .
Se2 Au6 Au3 94.01(4) . .
Se2 Au6 Au3 94.01(4) 2_656 .
Au5 Au6 Au3 96.47(2) 2_656 .
Au5 Au6 Au3 96.47(2) . .
Se2 Au6 Au4 104.78(5) . 2_656
Se2 Au6 Au4 77.84(5) 2_656 2_656
Au5 Au6 Au4 58.45(3) 2_656 2_656
Au5 Au6 Au4 126.51(3) . 2_656
Au3 Au6 Au4 71.45(2) . 2_656
Se2 Au6 Au4 77.84(5) . .
Se2 Au6 Au4 104.78(5) 2_656 .
Au5 Au6 Au4 126.51(3) 2_656 .
Au5 Au6 Au4 58.45(3) . .
Au3 Au6 Au4 71.45(2) . .
Au4 Au6 Au4 142.90(4) 2_656 .
Au1 Se1 Au3 81.11(6) . .
Au1 Se1 Au4 81.57(5) . .
Au3 Se1 Au4 98.57(7) . .
Au5 Se2 Au2 81.12(6) 2_656 .
Au5 Se2 Au6 78.52(5) 2_656 .
Au2 Se2 Au6 97.57(6) . .
N1 P1 C10 104.0(9) . .
N1 P1 C4 107.3(8) . .
C10 P1 C4 106.4(9) . .
N1 P1 Au1 112.1(5) . .
C10 P1 Au1 113.9(7) . .
C4 P1 Au1 112.6(5) . .
N1 P2 C16 106.3(8) . .
N1 P2 C22 107.0(10) . .
C16 P2 C22 106.8(11) . .
N1 P2 Au2 107.4(5) . .
C16 P2 Au2 111.0(6) . .
C22 P2 Au2 117.7(6) . .
N2 P3 C31 106.5(8) . .
N2 P3 C37 106.9(8) . .
C31 P3 C37 104.5(8) . .
N2 P3 Au4 107.0(5) . .
C31 P3 Au4 113.1(6) . .
C37 P3 Au4 118.2(6) . .
N2 P4 C49 107.2(7) . .
N2 P4 C43 105.0(7) . .
C49 P4 C43 106.1(8) . .
N2 P4 Au5 113.6(5) . .
C49 P4 Au5 112.1(6) . .
C43 P4 Au5 112.2(6) . .
C1 N1 P2 120.1(13) . .
C1 N1 P1 119.3(14) . .
P2 N1 P1 119.4(7) . .
C28 N2 P3 119.6(10) . .
C28 N2 P4 122.4(10) . .
P3 N2 P4 117.6(8) . .
N1 C1 C2 112.7(16) . .
C1 C2 C3 107(2) . .
C9 C4 C5 119.1(17) . .
C9 C4 P1 115.4(14) . .
C5 C4 P1 125.6(15) . .
C6 C5 C4 119(2) . .
C7 C6 C5 123(2) . .
C6 C7 C8 122(2) . .
C7 C8 C9 118(2) . .
C4 C9 C8 118.8(19) . .
C11 C10 C15 117(2) . .
C11 C10 P1 123.2(15) . .
C15 C10 P1 119.5(15) . .
C10 C11 C12 119(2) . .
C13 C12 C11 121(3) . .
C14 C13 C12 121(3) . .
C13 C14 C15 120(3) . .
C10 C15 C14 121(2) . .
C21 C16 C17 112.8(19) . .
C21 C16 P2 122.4(15) . .
C17 C16 P2 124.8(16) . .
C18 C17 C16 125(2) . .
C19 C18 C17 115(2) . .
C20 C19 C18 121(2) . .
C21 C20 C19 120(2) . .
C20 C21 C16 125.6(19) . .
C23 C22 C27 123(2) . .
C23 C22 P2 121(2) . .
C27 C22 P2 116(2) . .
C22 C23 C24 123(3) . .
C23 C24 C25 115(3) . .
C26 C25 C24 121(3) . .
C25 C26 C27 120(3) . .
C22 C27 C26 118(2) . .
N2 C28 C29 111.0(16) . .
C28 C29 C30 105.0(19) . .
C32 C31 C36 119.4(16) . .
C32 C31 P3 123.8(15) . .
C36 C31 P3 116.7(14) . .
C31 C32 C33 118(2) . .
C34 C33 C32 123(2) . .
C33 C34 C35 118(2) . .
C36 C35 C34 123(2) . .
C35 C36 C31 119(2) . .
C38 C37 C42 122.5(17) . .
C38 C37 P3 118.7(14) . .
C42 C37 P3 118.6(13) . .
C37 C38 C39 117.6(19) . .
C40 C39 C38 119(2) . .
C41 C40 C39 121(2) . .
C40 C41 C42 121(2) . .
C41 C42 C37 119.2(18) . .
C44 C43 C48 118.6(18) . .
C44 C43 P4 119.2(15) . .
C48 C43 P4 122.2(14) . .
C43 C44 C45 123(2) . .
C46 C45 C44 119(2) . .
C45 C46 C47 119(2) . .
C48 C47 C46 120(2) . .
C47 C48 C43 120(2) . .
C50 C49 C54 117.2(16) . .
C50 C49 P4 125.9(13) . .
C54 C49 P4 116.9(14) . .
C49 C50 C51 120.0(18) . .
C52 C51 C50 122(2) . .
C53 C52 C51 120(2) . .
C52 C53 C54 121.4(19) . .
C53 C54 C49 118.5(19) . .
O4 Cl1 O4 94(4) . 2_656
O4 Cl1 O3 110(3) . 2_656
O4 Cl1 O3 107(3) 2_656 2_656
O4 Cl1 O3 107(3) . .
O4 Cl1 O3 110(3) 2_656 .
O3 Cl1 O3 124(4) 2_656 .
O2 Cl2 O2 115(3) 2_556 .
O2 Cl2 O1 102.8(18) 2_556 .
O2 Cl2 O1 114.3(19) . .
O2 Cl2 O1 114.3(19) 2_556 2_556
O2 Cl2 O1 102.8(18) . 2_556
O1 Cl2 O1 108(3) . 2_556
Cl4 C55 Cl3 120(2) . .
Cl5 C56 Cl6 109.3(18) . .
C57 Cl7 Cl8 42.9(12) . .
C57 Cl8 Cl7 43.0(12) . .
Cl8 C57 Cl7 94(2) . .
Cl10 C58 Cl9 118(3) . .
C60 C59 Cl11 96.1(14) . .
C59 C60 Cl12 96.1(14) . .
N1 C1 H1A 109(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.263(4) .
Au1 Se1 2.4199(19) .
Au1 Au2 3.0184(12) .
Au1 Au3 3.1554(12) .
Au1 Au4 3.1757(10) .
Au2 P2 2.275(4) .
Au2 Se2 2.4421(17) .
Au2 Au3 3.1656(12) .
Au2 Au5 3.1671(11) 2_656
Au3 Se1 2.433(2) 2_656
Au3 Se1 2.433(2) .
Au3 Au6 3.1500(14) .
Au3 Au1 3.1554(12) 2_656
Au3 Au2 3.1656(12) 2_656
Au4 P3 2.276(5) .
Au4 Se1 2.4415(18) .
Au4 Au5 3.0587(13) .
Au4 Au6 3.1777(10) .
Au5 P4 2.263(5) .
Au5 Se2 2.428(2) 2_656
Au5 Au6 3.0846(9) .
Au5 Au2 3.1671(11) 2_656
Au6 Se2 2.4456(17) .
Au6 Se2 2.4456(17) 2_656
Au6 Au5 3.0846(9) 2_656
Au6 Au4 3.1777(10) 2_656
Se2 Au5 2.428(2) 2_656
P1 N1 1.696(15) .
P1 C10 1.76(2) .
P1 C4 1.789(18) .
P2 N1 1.690(15) .
P2 C16 1.776(19) .
P2 C22 1.84(2) .
P3 N2 1.695(13) .
P3 C31 1.822(16) .
P3 C37 1.828(17) .
P4 N2 1.708(13) .
P4 C49 1.782(17) .
P4 C43 1.786(17) .
N1 C1 1.51(2) .
N2 C28 1.51(2) .
C1 C2 1.54(3) .
C2 C3 1.56(3) .
C4 C9 1.38(3) .
C4 C5 1.40(2) .
C5 C6 1.33(2) .
C6 C7 1.32(3) .
C7 C8 1.33(3) .
C8 C9 1.44(3) .
C10 C11 1.38(2) .
C10 C15 1.41(3) .
C11 C12 1.40(3) .
C12 C13 1.36(4) .
C13 C14 1.27(3) .
C14 C15 1.41(3) .
C16 C21 1.39(2) .
C16 C17 1.43(3) .
C17 C18 1.42(3) .
C18 C19 1.41(3) .
C19 C20 1.39(3) .
C20 C21 1.32(2) .
C22 C23 1.33(3) .
C22 C27 1.37(3) .
C23 C24 1.43(3) .
C24 C25 1.47(4) .
C25 C26 1.36(4) .
C26 C27 1.43(3) .
C28 C29 1.53(3) .
C29 C30 1.55(3) .
C31 C32 1.36(2) .
C31 C36 1.43(2) .
C32 C33 1.41(3) .
C33 C34 1.34(3) .
C34 C35 1.38(3) .
C35 C36 1.35(3) .
C37 C38 1.35(2) .
C37 C42 1.38(2) .
C38 C39 1.43(3) .
C39 C40 1.39(3) .
C40 C41 1.35(3) .
C41 C42 1.36(3) .
C43 C44 1.35(2) .
C43 C48 1.40(2) .
C44 C45 1.38(3) .
C45 C46 1.36(3) .
C46 C47 1.40(3) .
C47 C48 1.37(3) .
C49 C50 1.36(2) .
C49 C54 1.45(2) .
C50 C51 1.36(3) .
C51 C52 1.33(3) .
C52 C53 1.32(3) .
C53 C54 1.36(3) .
Cl1 O4 1.34(6) .
Cl1 O4 1.34(5) 2_656
Cl1 O3 1.43(5) 2_656
Cl1 O3 1.43(5) .
O1 Cl2 1.47(3) .
O2 Cl2 1.25(3) .
Cl2 O2 1.25(3) 2_556
Cl2 O1 1.47(3) 2_556
Cl3 C55 1.80(3) .
Cl4 C55 1.46(3) .
Cl5 C56 1.702(19) .
Cl6 C56 1.739(19) .
Cl7 C57 1.69(2) .
Cl7 Cl8 2.47(4) .
Cl8 C57 1.69(2) .
Cl9 C58 1.71(2) .
Cl10 C58 1.71(2) .
Cl11 C59 1.83(3) .
Cl12 C60 1.83(3) .
C59 C60 1.82(3) .
C1 H1A 0.97(2) .
