#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314521.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_4314521
loop_
_publ_author_name
'Alfredo Burini'
'Rossana Galassi'
'Simone Ricci'
'Fiorella Bachechi'
'Ahmed A. Mohamed'
'John P. Fackler'
_publ_contact_author_address
; Dipartimento di Scienze Chimiche,
      Universitá di Camerino'
      Via S. Agostino 1,
      I-62032 Camerino
      Italy
;
_publ_contact_author_email       Alfredo.Burini@unicam.it
_publ_contact_author_fax         '[01039]737 637345 '
_publ_contact_author_name        'Prof. Alfredo Burini'
_publ_contact_author_phone       '[01039]737 402243 '
_publ_section_title
;
 Mono and Tetranuclear Gold(I) Complexes of
 Tris(1-benzylimidazole-2-yl)phosphine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              513
_journal_page_last               518
_journal_paper_doi               10.1021/ic901562d
_journal_volume                  49
_journal_year                    2010
_chemical_compound_source
;
;
_chemical_formula_moiety
' [C60 H54 N12 P2 Au4]^2+^[Cl2 Au]^-^[Cl4 Au]^-^'
_chemical_formula_sum            'C60 H54 Au6 Cl8 N12 P2'
_chemical_formula_weight         2470.57
_chemical_name_systematic
; dichloro- and tetrachloro-aurate of [di-μ-N,N-(tris(1-benzyl-2-
   imidazolyl)phosphinegold(I)chloride)digold(I)]⁻
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.51(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.785(4)
_cell_length_b                   21.426(6)
_cell_length_c                   25.203(8)
_cell_measurement_radiation      CuK\a
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      21.20
_cell_measurement_wavelength     1.54178
_cell_volume                     7396(4)
_computing_cell_refinement       'TEXSAN-TEXRAY 1985'
_computing_data_collection       'TEXSAN-TEXRAY 1985'
_computing_data_reduction        'TEXSAN-TEXRAY 1985'
_computing_molecular_graphics    ' SIR2004(Burla et al.,2004)'
_computing_publication_material  ' SIR2004(Burla et al.,2004)'
_computing_structure_refinement  ' Caos(Camalli et al.,1994)'
_computing_structure_solution    ' Caos(Camalli et al.,1994)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       ω--2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8345
_diffrn_reflns_theta_max         60.31
_diffrn_reflns_theta_min         2.71
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    25.601
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2600
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.219
_exptl_crystal_description       prism
_exptl_crystal_F_000             4552
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         4623
_refine_ls_R_factor_gt           0.068
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     ' w=1/[σ²(F²)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.087
_reflns_d_resolution_high        0.894
_reflns_d_resolution_low         13.696
_reflns_limit_h_max              13
_reflns_limit_h_min              0
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              -25
_reflns_number_gt                4747
_reflns_number_total             7639
_reflns_threshold_expression     ' I >3.0 σ(I) '
_cod_data_source_file            ic901562d_si_002_2.cif
_cod_data_source_block           global
_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.

'_refine_ls_matrix_type' value 'Full' changed to 'full'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_atom_site_thermal_displace_type' value 'uani' changed
to 'Uani' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (14
times).

'_atom_site_thermal_displace_type' value 'uiso' changed to
'Uiso' according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (116 times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        7396(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4314521
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
Au1 0.0944(1) 0.0757(1) 0.6900(1) 1.000 0.045(1) Uani au 4
Au4 0.0395(1) 0.1937(1) 0.6308(1) 1.000 0.044(1) Uani au 4
Au2 -0.1425(1) 0.0629(1) 0.6703(1) 1.000 0.045(1) Uani au 4
Au3 -0.1082(1) 0.1715(1) 0.7462(1) 1.000 0.044(1) Uani au 4
Au5 -0.4872(2) -0.1188(1) 0.6726(1) 1.000 0.070(1) Uani au 4
Au6 0.0996(3) 0.3878(3) 0.5316(1) 1.000 0.119(2) Uani au 4
P1 0.1300(7) 0.1328(5) 0.7631(4) 1.000 0.044(2) Uiso p 4
P2 -0.1906(7) 0.1336(4) 0.6086(4) 1.000 0.039(2) Uiso p 4
N1 -0.042(2) 0.123(2) 0.806(1) 1.000 0.057(8) Uiso n 4
N2 0.075(2) 0.074(2) 0.857(1) 1.000 0.059(9) Uiso n 4
N3 0.093(2) 0.237(1) 0.700(1) 1.000 0.050(8) Uiso n 4
N4 0.120(2) 0.265(2) 0.783(1) 1.000 0.056(9) Uiso n 4
N5 0.274(3) 0.158(2) 0.841(2) 1.000 0.08(1) Uiso n 4
N6 0.334(2) 0.112(2) 0.773(1) 1.000 0.056(9) Uiso n 4
N7 -0.027(2) 0.157(1) 0.563(1) 1.000 0.046(8) Uiso n 4
N8 -0.128(2) 0.104(1) 0.507(1) 1.000 0.046(8) Uiso n 4
N9 -0.165(2) 0.226(2) 0.685(1) 1.000 0.053(9) Uiso n 4
N10 -0.201(2) 0.267(1) 0.605(1) 1.000 0.052(8) Uiso n 4
N11 -0.344(3) 0.154(2) 0.533(1) 1.000 0.062(9) Uiso n 4
N12 -0.389(2) 0.104(2) 0.601(1) 1.000 0.053(9) Uiso n 4
Cl1 0.0718(9) 0.0094(5) 0.6183(5) 1.000 0.061(4) Uani cl 4
Cl2 -0.106(1) -0.0161(5) 0.7293(4) 1.000 0.069(4) Uani cl 4
Cl6 -0.447(1) -0.0452(9) 0.7352(7) 1.000 0.122(8) Uani cl 4
Cl3 -0.603(2) -0.055(2) 0.630(1) 1.000 0.11(1) Uani cl 2
Cl4 -0.367(2) -0.179(2) 0.714(1) 1.000 0.11(1) Uani cl 2
Cl5 -0.531(3) -0.192(2) 0.612(2) 1.000 0.15(2) Uani cl 2
Cl8 0.135(4) 0.507(3) 0.516(2) 1.000 0.11(2) Uani cl 1
Cl7 0.092(3) 0.270(3) 0.523(2) 1.000 0.13(3) Uani cl 1
C1 0.055(3) 0.112(2) 0.814(2) 1.000 0.05(1) Uiso c 4
C2 -0.083(3) 0.093(2) 0.847(2) 1.000 0.06(1) Uiso c 4
C3 -0.011(4) 0.058(3) 0.879(2) 1.000 0.09(2) Uiso c 4
C4 0.164(4) 0.050(3) 0.879(2) 1.000 0.09(2) Uiso c 4
C5 0.206(4) -0.004(3) 0.837(2) 1.000 0.08(2) Uiso c 4
C6 0.301(4) -0.022(3) 0.844(2) 1.000 0.09(2) Uiso c 4
C7 0.344(5) -0.057(3) 0.811(3) 1.000 0.10(2) Uiso c 4
C8 0.290(5) -0.073(3) 0.767(2) 1.000 0.11(2) Uiso c 4
C9 0.188(5) -0.062(3) 0.757(3) 1.000 0.11(2) Uiso c 4
C10 0.149(3) -0.026(2) 0.794(2) 1.000 0.06(1) Uiso c 4
C11 0.106(3) 0.217(2) 0.752(1) 1.000 0.040(9) Uiso c 4
C12 0.098(3) 0.305(2) 0.698(2) 1.000 0.06(1) Uiso c 4
C13 0.111(3) 0.319(2) 0.755(2) 1.000 0.06(1) Uiso c 4
C14 0.121(3) 0.267(2) 0.843(2) 1.000 0.07(1) Uiso c 4
C15 0.032(3) 0.270(2) 0.862(2) 1.000 0.06(1) Uiso c 4
C16 -0.041(4) 0.305(3) 0.842(2) 1.000 0.10(2) Uiso c 4
C17 -0.135(6) 0.311(4) 0.862(3) 1.000 0.09(2) Uiso c 2
C18 -0.163(4) 0.272(2) 0.896(2) 1.000 0.09(1) Uiso c 4
C19 -0.094(6) 0.233(4) 0.914(3) 1.000 0.08(2) Uiso c 2
C20 0.006(4) 0.231(3) 0.903(2) 1.000 0.09(2) Uiso c 4
C21 0.256(3) 0.132(2) 0.790(2) 1.000 0.06(1) Uiso c 4
C22 0.377(4) 0.151(3) 0.852(2) 1.000 0.09(2) Uiso c 4
C23 0.416(4) 0.128(2) 0.807(2) 1.000 0.08(1) Uiso c 4
C24 0.337(3) 0.086(2) 0.717(2) 1.000 0.07(1) Uiso c 4
C25 0.323(3) 0.132(2) 0.674(2) 1.000 0.07(1) Uiso c 4
C26 0.290(3) 0.109(2) 0.624(2) 1.000 0.06(1) Uiso c 4
C27 0.271(5) 0.149(3) 0.579(3) 1.000 0.12(2) Uiso c 4
C28 0.296(5) 0.206(4) 0.590(3) 1.000 0.12(2) Uiso c 4
C29 0.320(3) 0.235(2) 0.638(2) 1.000 0.08(1) Uiso c 4
C30 0.340(3) 0.196(2) 0.681(2) 1.000 0.07(1) Uiso c 4
C31 -0.114(2) 0.132(2) 0.555(1) 1.000 0.038(8) Uiso c 4
C32 0.021(3) 0.147(2) 0.518(2) 1.000 0.05(1) Uiso c 4
C33 -0.041(3) 0.111(2) 0.481(2) 1.000 0.06(1) Uiso c 4
C34 -0.212(3) 0.065(2) 0.483(1) 1.000 0.046(9) Uiso c 4
C35 -0.235(3) 0.014(2) 0.517(2) 1.000 0.06(1) Uiso c 4
C36 -0.161(3) -0.018(2) 0.547(2) 1.000 0.05(1) Uiso c 4
C37 -0.188(4) -0.064(2) 0.581(2) 1.000 0.08(1) Uiso c 4
C38 -0.285(3) -0.087(2) 0.579(2) 1.000 0.07(1) Uiso c 4
C39 -0.354(3) -0.054(2) 0.549(2) 1.000 0.07(1) Uiso c 4
C40 -0.329(4) -0.004(2) 0.513(2) 1.000 0.07(1) Uiso c 4
C41 -0.182(3) 0.214(2) 0.632(2) 1.000 0.05(1) Uiso c 4
C42 -0.171(3) 0.291(2) 0.691(2) 1.000 0.07(1) Uiso c 4
C43 -0.192(4) 0.315(2) 0.643(2) 1.000 0.08(1) Uiso c 4
C44 -0.216(3) 0.277(2) 0.546(2) 1.000 0.06(1) Uiso c 4
C45 -0.303(3) 0.317(2) 0.531(2) 1.000 0.06(1) Uiso c 4
C46 -0.289(7) 0.371(5) 0.502(4) 1.000 0.12(3) Uiso c 2
C47 -0.37(1) 0.409(6) 0.486(5) 1.000 0.09(4) Uiso c 1
C48 -0.456(8) 0.406(5) 0.504(4) 1.000 0.08(3) Uiso c 2
C49 -0.474(7) 0.349(4) 0.521(4) 1.000 0.10(3) Uiso c 2
C50 -0.391(5) 0.304(3) 0.547(3) 1.000 0.11(2) Uiso c 4
C51 -0.318(3) 0.130(2) 0.580(2) 1.000 0.05(1) Uiso c 4
C52 -0.442(4) 0.145(2) 0.526(2) 1.000 0.08(1) Uiso c 4
C53 -0.470(4) 0.116(2) 0.568(2) 1.000 0.08(1) Uiso c 4
C54 -0.382(4) 0.074(3) 0.656(2) 1.000 0.09(2) Uiso c 4
C55 -0.384(3) 0.131(2) 0.697(2) 1.000 0.07(1) Uiso c 4
C56 -0.343(4) 0.115(2) 0.749(2) 1.000 0.08(1) Uiso c 4
C57 -0.333(5) 0.160(3) 0.796(3) 1.000 0.11(2) Uiso c 4
C58 -0.363(5) 0.218(3) 0.778(3) 1.000 0.12(2) Uiso c 4
C59 -0.401(5) 0.236(3) 0.724(3) 1.000 0.11(2) Uiso c 4
C60 -0.418(4) 0.191(3) 0.683(2) 1.000 0.09(2) Uiso c 4
H1 -0.4366 0.0466 0.6591 1.000 0.090 Uiso h 4
H2 -0.3224 0.0505 0.6634 1.000 0.090 Uiso h 4
H3 0.3993 0.0666 0.7155 1.000 0.068 Uiso h 4
H4 0.2863 0.0551 0.7105 1.000 0.068 Uiso h 4
H5 -0.2687 0.0917 0.4759 1.000 0.046 Uiso h 4
H6 -0.1961 0.0482 0.4496 1.000 0.046 Uiso h 4
H8 -0.1590 0.2975 0.5352 1.000 0.056 Uiso h 4
H9 -0.2245 0.2376 0.5285 1.000 0.056 Uiso h 4
H10 0.2103 0.0835 0.8856 1.000 0.087 Uiso h 4
H11 0.1553 0.0305 0.9128 1.000 0.087 Uiso h 4
H12 0.1539 0.2305 0.8573 1.000 0.066 Uiso h 4
H13 0.1575 0.3036 0.8557 1.000 0.066 Uiso h 4
H14 0.3397 -0.0080 0.8756 1.000 0.086 Uiso h 4
H15 0.4105 -0.0707 0.8188 1.000 0.105 Uiso h 4
H16 0.3209 -0.0924 0.7388 1.000 0.106 Uiso h 4
H17 0.1484 -0.0795 0.7269 1.000 0.107 Uiso h 4
H18 0.0808 -0.0169 0.7893 1.000 0.062 Uiso h 4
H19 -0.0310 0.3282 0.8104 1.000 0.099 Uiso h 4
H20 -0.1775 0.3451 0.8492 0.700 0.092 Uiso h 4
H21 -0.2272 0.2723 0.9072 1.000 0.085 Uiso h 4
H22 -0.1133 0.2020 0.9376 0.700 0.078 Uiso h 4
H23 0.0525 0.2034 0.9222 1.000 0.091 Uiso h 4
H24 0.2801 0.0648 0.6196 1.000 0.062 Uiso h 4
H25 0.2432 0.1353 0.5449 1.000 0.118 Uiso h 4
H26 0.2972 0.2320 0.5591 1.000 0.119 Uiso h 4
H27 0.3227 0.2800 0.6416 1.000 0.079 Uiso h 4
H28 0.3651 0.2118 0.7149 1.000 0.070 Uiso h 4
H29 -0.0942 -0.0088 0.5433 1.000 0.052 Uiso h 4
H30 -0.1394 -0.0809 0.6079 1.000 0.084 Uiso h 4
H31 -0.3007 -0.1238 0.5972 1.000 0.070 Uiso h 4
H32 -0.4213 -0.0634 0.5511 1.000 0.071 Uiso h 4
H33 -0.3778 0.0143 0.4875 1.000 0.074 Uiso h 4
H34 -0.2252 0.3826 0.4934 0.700 0.120 Uiso h 4
H35 -0.3686 0.4393 0.4589 0.400 0.087 Uiso h 4
H36 -0.4990 0.4413 0.5052 0.500 0.076 Uiso h 4
H37 -0.5405 0.3344 0.5164 0.700 0.105 Uiso h 4
H38 -0.4020 0.2711 0.5720 1.000 0.111 Uiso h 4
H39 -0.3197 0.0732 0.7544 1.000 0.082 Uiso h 4
H40 -0.3100 0.1486 0.8321 1.000 0.112 Uiso h 4
H41 -0.3582 0.2510 0.8045 1.000 0.118 Uiso h 4
H42 -0.4150 0.2796 0.7163 1.000 0.110 Uiso h 4
H43 -0.4506 0.2003 0.6487 1.000 0.090 Uiso h 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'H ' 216 'Hydrogen ' 0.0000 0.0000 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'C ' 240 'Carbon ' 0.0170 0.0090 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'N ' 48 'Nitrogen ' 0.0290 0.0180 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'P ' 8 'Phosphorus ' 0.2830 0.4340 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'Cl ' 32 'Chlorine ' 0.3480 0.7020 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
'Au ' 24 'Gold ' -5.0960 7.2970 ' Int. Tab. C, 4.2.6.8, 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Au1 Au4 97.3(2) . . . yes
P1 Au1 Au4 88.1(2) . . . yes
P1 Au1 Cl1 173.5(4) . . . yes
Au1 Au4 N3 85.0(6) . . . yes
N7 Au4 N3 173(1) . . . yes
N7 Au4 Au1 99.4(6) . . . yes
Cl2 Au2 Au3 98.8(2) . . . yes
P2 Au2 Au3 86.1(2) . . . yes
P2 Au2 Cl2 173.9(4) . . . yes
Au2 Au3 N1 96.0(6) . . . yes
N9 Au3 N1 175(1) . . . yes
N9 Au3 Au2 86.7(6) . . . yes
Cl6 Au5 Cl4 88(1) . . . yes
Cl5 Au5 Cl4 92(1) . . . yes
Cl5 Au5 Cl6 178(1) . . . yes
Cl3 Au5 Cl4 177(1) . . . yes
Cl3 Au5 Cl6 90(1) . . . yes
Cl3 Au5 Cl5 88(1) . . . yes
Cl8 Au6 Cl7 163(1) . . . yes
C1 P1 Au1 111(1) . . . yes
C21 P1 Au1 115(1) . . . yes
C21 P1 C1 109(1) . . . yes
C11 P1 Au1 112(1) . . . yes
C11 P1 C1 104(1) . . . yes
C11 P1 C21 102(1) . . . yes
C51 P2 C41 101(1) . . . yes
Au2 P2 C41 114(1) . . . yes
Au2 P2 C51 116(1) . . . yes
C31 P2 C41 103(1) . . . yes
C31 P2 C51 108(1) . . . yes
C31 P2 Au2 111.1(9) . . . yes
Au3 N1 C1 124(2) . . . yes
C2 N1 C1 107(3) . . . yes
C2 N1 Au3 127(2) . . . yes
C1 N2 C4 129(3) . . . yes
C3 N2 C4 119(4) . . . yes
C3 N2 C1 111(3) . . . yes
C12 N3 Au4 116(2) . . . yes
C11 N3 Au4 132(2) . . . yes
C11 N3 C12 110(3) . . . yes
C11 N4 C14 128(3) . . . yes
C13 N4 C14 119(3) . . . yes
C13 N4 C11 110(3) . . . yes
C21 N5 C22 101(3) . . . yes
C24 N6 C23 123(3) . . . yes
C21 N6 C23 111(3) . . . yes
C21 N6 C24 123(3) . . . yes
Au4 N7 C32 122(2) . . . yes
C31 N7 C32 109(3) . . . yes
C31 N7 Au4 126(2) . . . yes
C34 N8 C33 121(2) . . . yes
C31 N8 C33 108(2) . . . yes
C31 N8 C34 129(2) . . . yes
C42 N9 Au3 121(2) . . . yes
C41 N9 Au3 130(2) . . . yes
C41 N9 C42 106(3) . . . yes
C43 N10 C41 106(3) . . . yes
C44 N10 C41 128(3) . . . yes
C44 N10 C43 124(3) . . . yes
C52 N11 C51 102(3) . . . yes
C51 N12 C53 105(3) . . . yes
C54 N12 C53 127(3) . . . yes
C54 N12 C51 126(4) . . . yes
N2 C1 P1 129(3) . . . yes
N1 C1 P1 119(2) . . . yes
N1 C1 N2 108(3) . . . yes
N1 C2 C3 109(4) . . . yes
C2 C3 N2 102(4) . . . yes
C5 C4 H11 109.3 . . . yes
N2 C4 H11 109.3 . . . yes
N2 C4 C5 110(4) . . . yes
H10 C4 H11 109.5 . . . yes
H10 C4 C5 109.3 . . . yes
H10 C4 N2 109.3 . . . yes
C4 C5 C6 120(4) . . . yes
C10 C5 C6 117(4) . . . yes
C10 C5 C4 121(4) . . . yes
C7 C6 C5 125(5) . . . yes
C8 C7 C6 115(6) . . . yes
C7 C8 C9 124(5) . . . yes
C8 C9 C10 115(5) . . . yes
C5 C10 C9 120(4) . . . yes
N4 C11 P1 131(2) . . . yes
N3 C11 P1 117(2) . . . yes
N3 C11 N4 109(3) . . . yes
N3 C12 C13 99(3) . . . yes
C12 C13 N4 110(3) . . . yes
H12 C14 N4 107.7 . . . yes
C15 C14 N4 116(3) . . . yes
C15 C14 H12 107.7 . . . yes
H13 C14 N4 107.7 . . . yes
H13 C14 H12 109.5 . . . yes
H13 C14 C15 107.7 . . . yes
C14 C15 C16 124(4) . . . yes
C20 C15 C16 112(4) . . . yes
C20 C15 C14 123(4) . . . yes
C17 C16 C15 126(5) . . . yes
C16 C17 C18 120(7) . . . yes
C19 C18 C17 112(6) . . . yes
C18 C19 C20 129(6) . . . yes
C15 C20 C19 116(5) . . . yes
P1 C21 N6 133(3) . . . yes
N5 C21 N6 112(3) . . . yes
N5 C21 P1 114(2) . . . yes
C23 C22 N5 109(4) . . . yes
C22 C23 N6 103(4) . . . yes
H3 C24 C25 108.1 . . . yes
H4 C24 C25 108.1 . . . yes
H4 C24 H3 109.5 . . . yes
N6 C24 C25 114(3) . . . yes
N6 C24 H3 108.1 . . . yes
N6 C24 H4 108.1 . . . yes
C26 C25 C24 116(4) . . . yes
C30 C25 C24 124(4) . . . yes
C30 C25 C26 118(4) . . . yes
C27 C26 C25 121(4) . . . yes
C28 C27 C26 113(6) . . . yes
C27 C28 C29 130(6) . . . yes
C28 C29 C30 114(5) . . . yes
C25 C30 C29 120(4) . . . yes
P2 C31 N7 119(2) . . . yes
N8 C31 N7 110(2) . . . yes
N8 C31 P2 129(2) . . . yes
C33 C32 N7 108(3) . . . yes
C32 C33 N8 103(3) . . . yes
C35 C34 N8 112(3) . . . yes
H5 C34 N8 108.7 . . . yes
H5 C34 C35 108.7 . . . yes
H6 C34 N8 108.7 . . . yes
H6 C34 C35 108.7 . . . yes
H6 C34 H5 109.5 . . . yes
C36 C35 C34 119(3) . . . yes
C40 C35 C34 116(4) . . . yes
C40 C35 C36 122(4) . . . yes
C37 C36 C35 117(3) . . . yes
C36 C37 C38 121(4) . . . yes
C37 C38 C39 117(4) . . . yes
C40 C39 C38 121(4) . . . yes
C39 C40 C35 117(4) . . . yes
P2 C41 N10 129(2) . . . yes
N9 C41 N10 109(3) . . . yes
N9 C41 P2 119(2) . . . yes
N9 C42 C43 107(4) . . . yes
N10 C43 C42 110(4) . . . yes
H9 C44 C45 109.1 . . . yes
N10 C44 C45 110(3) . . . yes
N10 C44 H9 109.1 . . . yes
H8 C44 C45 109.1 . . . yes
H8 C44 H9 109.5 . . . yes
H8 C44 N10 109.1 . . . yes
C46 C45 C44 116(4) . . . yes
C50 C45 C44 121(4) . . . yes
C50 C45 C46 121(6) . . . yes
C47 C46 C45 116(8) . . . yes
C46 C47 C48 127(12) . . . yes
C49 C48 C47 111(10) . . . yes
C48 C49 C50 122(8) . . . yes
C49 C50 C45 111(6) . . . yes
N11 C51 N12 114(3) . . . yes
P2 C51 N12 126(2) . . . yes
P2 C51 N11 119(2) . . . yes
C53 C52 N11 110(4) . . . yes
C52 C53 N12 106(4) . . . yes
N12 C54 C55 104(4) . . . yes
H1 C54 C55 110.8 . . . yes
H1 C54 N12 110.8 . . . yes
H2 C54 C55 110.8 . . . yes
H2 C54 N12 110.8 . . . yes
H2 C54 H1 109.5 . . . yes
C54 C55 C56 111(4) . . . yes
C60 C55 C56 122(4) . . . yes
C60 C55 C54 125(4) . . . yes
C55 C56 C57 124(4) . . . yes
C56 C57 C58 108(5) . . . yes
C59 C58 C57 127(6) . . . yes
C58 C59 C60 120(6) . . . yes
C55 C60 C59 115(5) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au4 2.989(2) . . yes
Au1 P1 2.22(1) . . yes
Au1 Cl1 2.29(1) . . yes
Au4 N3 2.04(3) . . yes
Au4 N7 2.01(3) . . yes
Au2 Au3 3.014(2) . . yes
Au2 P2 2.22(1) . . yes
Au2 Cl2 2.27(1) . . yes
Au3 N1 1.98(3) . . yes
Au3 N9 2.01(3) . . yes
P1 C1 1.79(4) . . yes
P1 C11 1.85(4) . . yes
P1 C21 1.79(5) . . yes
P2 C31 1.80(3) . . yes
P2 C41 1.81(4) . . yes
P2 C51 1.82(4) . . yes
N1 C1 1.34(5) . . yes
N1 C2 1.39(5) . . yes
N2 C1 1.36(5) . . yes
N2 C3 1.40(7) . . yes
N2 C4 1.39(7) . . yes
N3 C11 1.36(5) . . yes
N3 C12 1.45(5) . . yes
N4 C11 1.31(5) . . yes
N4 C13 1.35(5) . . yes
N4 C14 1.50(6) . . yes
N5 C21 1.40(6) . . yes
N5 C22 1.42(7) . . yes
N6 C21 1.28(5) . . yes
N6 C23 1.38(7) . . yes
N6 C24 1.52(6) . . yes
N7 C31 1.31(5) . . yes
N7 C32 1.38(5) . . yes
N8 C31 1.36(5) . . yes
N8 C33 1.44(5) . . yes
N8 C34 1.50(5) . . yes
N9 C41 1.36(5) . . yes
N9 C42 1.41(6) . . yes
N10 C41 1.34(5) . . yes
N10 C43 1.38(6) . . yes
N10 C44 1.49(5) . . yes
N11 C51 1.31(5) . . yes
N11 C52 1.37(6) . . yes
N12 C51 1.29(5) . . yes
N12 C53 1.35(7) . . yes
N12 C54 1.53(7) . . yes
C2 C3 1.42(8) . . yes
C4 C5 1.73(8) . . yes
C4 H10 0.960 . . yes
C4 H11 0.960 . . yes
C5 C6 1.35(8) . . yes
C5 C10 1.35(7) . . yes
C6 C7 1.31(8) . . yes
C7 C8 1.32(9) . . yes
C8 C9 1.41(9) . . yes
C9 C10 1.36(8) . . yes
C12 C13 1.46(6) . . yes
C14 C15 1.37(6) . . yes
C14 H12 0.960 . . yes
C14 H13 0.960 . . yes
C15 C16 1.31(8) . . yes
C15 C20 1.40(7) . . yes
C16 C17 1.5(1) . . yes
C17 C18 1.3(1) . . yes
C18 C19 1.3(1) . . yes
C19 C20 1.44(9) . . yes
C22 C23 1.41(7) . . yes
C24 C25 1.45(7) . . yes
C24 H3 0.960 . . yes
C24 H4 0.960 . . yes
C25 C26 1.38(7) . . yes
C25 C30 1.39(7) . . yes
C26 C27 1.42(9) . . yes
C27 C28 1.3(1) . . yes
C28 C29 1.38(9) . . yes
C29 C30 1.38(7) . . yes
C32 C33 1.43(6) . . yes
C34 C35 1.46(5) . . yes
C34 H5 0.960 . . yes
C34 H6 0.960 . . yes
C35 C36 1.37(6) . . yes
C35 C40 1.34(7) . . yes
C36 C37 1.40(6) . . yes
C37 C38 1.41(7) . . yes
C38 C39 1.34(7) . . yes
C39 C40 1.46(7) . . yes
C42 C43 1.32(7) . . yes
C44 C45 1.49(6) . . yes
C44 H8 0.960 . . yes
C44 H9 0.960 . . yes
C45 C46 1.4(1) . . yes
C45 C50 1.36(8) . . yes
C46 C47 1.5(2) . . yes
C47 C48 1.2(2) . . yes
C48 C49 1.3(1) . . yes
C49 C50 1.6(1) . . yes
C52 C53 1.32(7) . . yes
C54 C55 1.60(8) . . yes
C54 H1 0.960 . . yes
C54 H2 0.960 . . yes
C55 C56 1.40(7) . . yes
C55 C60 1.39(7) . . yes
C56 C57 1.52(8) . . yes
C57 C58 1.4(1) . . yes
C58 C59 1.5(1) . . yes
C59 C60 1.42(9) . . yes
Au5 Cl6 2.26(2) . . yes
Au5 Cl3 2.28(3) . . yes
Au5 Cl4 2.26(3) . . yes
Au5 Cl5 2.21(5) . . yes
Au6 Cl8 2.63(6) . . yes
Au6 Cl7 2.54(6) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
? ? ? ? ? . . . . ?
