#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:22:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179107 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/69/4306936.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_4306936
loop_
_publ_author_name
'Hanan E. Abdou'
'Ahmed A. Mohamed'
'John P. Fackler'
_publ_section_title
;
Syntheses of Mixed-Ligand Tetranuclear Gold(I)-Nitrogen Clusters by
Ligand Exchange Reactions with the Dinuclear Gold(I) Formamidinate Complex
Au2(2,6-Me2Ph-form)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              141
_journal_page_last               146
_journal_paper_doi               10.1021/ic0612449
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C140 H120 Au8 N16 O3'
_chemical_formula_weight         3650.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 96.979(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.5747(19)
_cell_length_b                   25.497(4)
_cell_length_c                   21.221(3)
_cell_measurement_temperature    110(2)
_cell_volume                     6216.3(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.865
_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  0.1223
_diffrn_reflns_av_sigmaI/netI    0.2659
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42247
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    9.462
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3456
_refine_diff_density_max         2.738
_refine_diff_density_min         -2.325
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.770
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         12484
_refine_ls_number_restraints     623
_refine_ls_restrained_S_all      0.824
_refine_ls_R_factor_all          0.1226
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.143
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                6199
_reflns_number_total             12484
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0612449si20060705_055832.cif
_cod_data_source_block           blocks
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6216.3(18)
_cod_database_code               4306936
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.11775(5) 0.13490(2) 0.29337(3) 0.01728(13) Uani 1 1 d . . .
Au2 Au 0.18965(5) 0.25028(2) 0.26964(3) 0.01940(14) Uani 1 1 d . . .
Au3 Au 0.45494(5) 0.22973(2) 0.29862(3) 0.02271(15) Uani 1 1 d . . .
Au4 Au 0.38343(5) 0.11879(2) 0.34170(3) 0.01837(14) Uani 1 1 d . . .
N1 N 0.0273(12) 0.1753(6) 0.3547(7) 0.0376(18) Uani 1 1 d U . .
N2 N 0.1134(12) 0.2574(6) 0.3509(7) 0.0374(18) Uani 1 1 d U . .
N3 N 0.2400(11) 0.2587(6) 0.1835(7) 0.0357(18) Uani 1 1 d U . .
N4 N 0.4383(12) 0.2424(6) 0.2039(7) 0.0448(19) Uani 1 1 d U . .
N5 N 0.2068(10) 0.0859(5) 0.2400(6) 0.0221(16) Uani 1 1 d U . .
N6 N 0.3198(10) 0.0765(5) 0.2647(6) 0.0228(16) Uani 1 1 d U . .
N7 N 0.4868(12) 0.2136(6) 0.3903(7) 0.0422(17) Uani 1 1 d U . .
N8 N 0.4528(12) 0.1663(6) 0.4124(7) 0.0422(16) Uani 1 1 d U A .
C1 C 0.0449(14) 0.2226(7) 0.3741(8) 0.0359(18) Uani 1 1 d U . .
H1A H 0.0050 0.2338 0.4084 0.043 Uiso 1 1 calc R . .
C2 C -0.0585(14) 0.1469(7) 0.3821(8) 0.0446(18) Uani 1 1 d DU . .
C3 C -0.0268(14) 0.1071(7) 0.4282(8) 0.049(2) Uani 1 1 d DU . .
C4 C -0.1114(14) 0.0777(8) 0.4562(8) 0.051(2) Uani 1 1 d DU . .
H4A H -0.0902 0.0511 0.4868 0.061 Uiso 1 1 calc R . .
C5 C -0.2268(14) 0.0899(8) 0.4361(8) 0.051(2) Uani 1 1 d DU . .
H5A H -0.2860 0.0712 0.4540 0.061 Uiso 1 1 calc R . .
C6 C -0.2608(15) 0.1295(7) 0.3897(8) 0.050(2) Uani 1 1 d DU . .
H6A H -0.3408 0.1374 0.3784 0.060 Uiso 1 1 calc R . .
C7 C -0.1772(14) 0.1559(7) 0.3614(8) 0.048(2) Uani 1 1 d DU . .
C8 C 0.1082(14) 0.1013(8) 0.4544(9) 0.056(3) Uani 1 1 d DU . .
H8A H 0.1541 0.1251 0.4311 0.084 Uiso 1 1 calc R . .
H8B H 0.1331 0.0651 0.4486 0.084 Uiso 1 1 calc R . .
H8C H 0.1200 0.1102 0.4997 0.084 Uiso 1 1 calc R . .
C9 C -0.2119(16) 0.1947(7) 0.3103(8) 0.054(3) Uani 1 1 d DU . .
H9A H -0.2970 0.1969 0.3028 0.081 Uiso 1 1 calc R . .
H9B H -0.1817 0.1837 0.2712 0.081 Uiso 1 1 calc R . .
H9C H -0.1798 0.2292 0.3233 0.081 Uiso 1 1 calc R . .
C10 C 0.1204(16) 0.3083(7) 0.3788(9) 0.0398(17) Uani 1 1 d U . .
C11 C 0.1981(16) 0.3152(7) 0.4319(9) 0.0426(19) Uani 1 1 d U . .
C12 C 0.2173(17) 0.3696(7) 0.4564(9) 0.045(2) Uani 1 1 d U . .
H12A H 0.2721 0.3774 0.4922 0.054 Uiso 1 1 calc R . .
C13 C 0.1520(16) 0.4071(8) 0.4245(9) 0.046(2) Uani 1 1 d U . .
H13A H 0.1661 0.4418 0.4395 0.055 Uiso 1 1 calc R . .
C14 C 0.0692(16) 0.4020(7) 0.3739(9) 0.044(2) Uani 1 1 d U . .
H14A H 0.0249 0.4308 0.3559 0.053 Uiso 1 1 calc R . .
C15 C 0.0528(16) 0.3466(7) 0.3485(9) 0.0418(19) Uani 1 1 d U . .
C16 C 0.2654(16) 0.2727(7) 0.4657(9) 0.045(3) Uani 1 1 d U . .
H16A H 0.2462 0.2393 0.4440 0.068 Uiso 1 1 calc R . .
H16B H 0.2462 0.2706 0.5094 0.068 Uiso 1 1 calc R . .
H16C H 0.3488 0.2798 0.4664 0.068 Uiso 1 1 calc R . .
C17 C -0.0344(16) 0.3371(7) 0.2959(9) 0.044(3) Uani 1 1 d U . .
H17A H -0.0331 0.3000 0.2839 0.067 Uiso 1 1 calc R . .
H17B H -0.0188 0.3588 0.2598 0.067 Uiso 1 1 calc R . .
H17C H -0.1112 0.3459 0.3079 0.067 Uiso 1 1 calc R . .
C18 C 0.3413(14) 0.2562(7) 0.1664(9) 0.0385(19) Uani 1 1 d U . .
H18A H 0.3490 0.2648 0.1236 0.046 Uiso 1 1 calc R . .
C19 C 0.1473(14) 0.2768(7) 0.1340(8) 0.0365(17) Uani 1 1 d U . .
C20 C 0.1280(15) 0.3304(7) 0.1292(8) 0.0388(18) Uani 1 1 d U . .
C21 C 0.0300(15) 0.3502(7) 0.0891(8) 0.040(2) Uani 1 1 d U . .
H21A H 0.0101 0.3864 0.0868 0.047 Uiso 1 1 calc R . .
C22 C -0.0373(15) 0.3101(7) 0.0519(8) 0.039(2) Uani 1 1 d U . .
H22A H -0.1031 0.3212 0.0239 0.047 Uiso 1 1 calc R . .
C23 C -0.0121(14) 0.2568(7) 0.0543(8) 0.037(2) Uani 1 1 d U . .
H23A H -0.0566 0.2323 0.0277 0.045 Uiso 1 1 calc R . .
C24 C 0.0813(15) 0.2408(7) 0.0977(9) 0.0367(18) Uani 1 1 d U . .
C25 C 0.1033(15) 0.1806(7) 0.1043(8) 0.040(3) Uani 1 1 d U . .
H25A H 0.1691 0.1742 0.1370 0.060 Uiso 1 1 calc R . .
H25B H 0.1212 0.1665 0.0637 0.060 Uiso 1 1 calc R . .
H25C H 0.0336 0.1634 0.1163 0.060 Uiso 1 1 calc R . .
C26 C 0.1969(16) 0.3702(7) 0.1700(9) 0.044(3) Uani 1 1 d U . .
H26A H 0.2593 0.3526 0.1973 0.067 Uiso 1 1 calc R . .
H26B H 0.1456 0.3884 0.1963 0.067 Uiso 1 1 calc R . .
H26C H 0.2307 0.3957 0.1429 0.067 Uiso 1 1 calc R . .
C27 C 0.5428(14) 0.2355(8) 0.1729(10) 0.0599(19) Uani 1 1 d DU . .
C28 C 0.5515(14) 0.1886(8) 0.1376(9) 0.064(2) Uani 1 1 d DU . .
C29 C 0.6519(14) 0.1762(8) 0.1086(9) 0.068(2) Uani 1 1 d DU . .
H29A H 0.6571 0.1461 0.0828 0.081 Uiso 1 1 calc R . .
C30 C 0.7428(15) 0.2123(9) 0.1210(9) 0.069(2) Uani 1 1 d DU . .
H30A H 0.8130 0.2056 0.1035 0.082 Uiso 1 1 calc R . .
C31 C 0.7365(15) 0.2594(8) 0.1590(9) 0.067(2) Uani 1 1 d DU . .
H31A H 0.8125 0.2734 0.1587 0.081 Uiso 1 1 d R . .
C32 C 0.6350(15) 0.2708(8) 0.1859(10) 0.064(2) Uani 1 1 d DU . .
C33 C 0.4478(15) 0.1477(8) 0.1242(9) 0.064(3) Uani 1 1 d DU . .
H33A H 0.4716 0.1190 0.0978 0.095 Uiso 1 1 calc R . .
H33B H 0.3794 0.1653 0.1019 0.095 Uiso 1 1 calc R . .
H33C H 0.4284 0.1335 0.1645 0.095 Uiso 1 1 calc R . .
C34 C 0.6293(16) 0.3175(8) 0.2273(9) 0.068(4) Uani 1 1 d DU . .
H34A H 0.5504 0.3209 0.2392 0.102 Uiso 1 1 calc R . .
H34B H 0.6489 0.3490 0.2044 0.102 Uiso 1 1 calc R . .
H34C H 0.6847 0.3133 0.2658 0.102 Uiso 1 1 calc R . .
C35 C 0.1813(13) 0.0579(6) 0.1889(7) 0.0241(15) Uani 1 1 d DU . .
C36 C 0.2802(12) 0.0296(6) 0.1772(7) 0.0243(16) Uani 1 1 d U . .
H36A H 0.2867 0.0064 0.1428 0.029 Uiso 1 1 calc R . .
C37 C 0.3679(13) 0.0423(6) 0.2266(7) 0.0253(15) Uani 1 1 d DU . .
C38 C 0.0661(11) 0.0600(5) 0.1494(6) 0.0265(15) Uani 1 1 d DU . .
C39 C -0.0367(11) 0.0701(5) 0.1720(7) 0.0273(18) Uani 1 1 d DU . .
H39A H -0.0364 0.0748 0.2164 0.033 Uiso 1 1 calc R . .
C40 C -0.1414(12) 0.0739(5) 0.1336(6) 0.0293(18) Uani 1 1 d DU . .
H40A H -0.2112 0.0814 0.1512 0.035 Uiso 1 1 calc R . .
C41 C -0.1423(12) 0.0665(6) 0.0670(6) 0.0302(19) Uani 1 1 d DU . .
H41A H -0.2134 0.0687 0.0396 0.036 Uiso 1 1 calc R . .
C42 C -0.0422(11) 0.0564(6) 0.0429(7) 0.0310(19) Uani 1 1 d DU . .
H42A H -0.0429 0.0512 -0.0014 0.037 Uiso 1 1 calc R . .
C43 C 0.0640(12) 0.0535(6) 0.0834(6) 0.0297(18) Uani 1 1 d DU . .
H43A H 0.1345 0.0470 0.0660 0.036 Uiso 1 1 calc R . .
C44 C 0.4873(11) 0.0263(5) 0.2351(6) 0.0291(16) Uani 1 1 d DU . .
C45 C 0.5790(11) 0.0582(6) 0.2543(6) 0.0307(18) Uani 1 1 d DU . .
H45A H 0.5646 0.0939 0.2636 0.037 Uiso 1 1 calc R . .
C46 C 0.6926(12) 0.0402(5) 0.2608(7) 0.0321(19) Uani 1 1 d DU . .
H46A H 0.7552 0.0626 0.2766 0.038 Uiso 1 1 calc R . .
C47 C 0.7130(12) -0.0110(5) 0.2439(8) 0.0338(19) Uani 1 1 d DU . .
H47A H 0.7910 -0.0225 0.2438 0.041 Uiso 1 1 calc R . .
C48 C 0.6250(12) -0.0455(6) 0.2272(8) 0.0344(19) Uani 1 1 d DU . .
H48A H 0.6396 -0.0817 0.2208 0.041 Uiso 1 1 calc R . .
C49 C 0.5134(12) -0.0253(6) 0.2200(7) 0.0320(18) Uani 1 1 d DU . .
H49A H 0.4511 -0.0477 0.2039 0.038 Uiso 1 1 calc R . .
C50 C 0.5536(16) 0.2369(8) 0.4385(10) 0.0489(16) Uani 1 1 d DU . .
C51 C 0.5611(16) 0.2051(7) 0.4928(9) 0.0471(17) Uani 1 1 d U A .
H51A H 0.6047 0.2115 0.5330 0.056 Uiso 1 1 calc R . .
C52 C 0.4891(15) 0.1611(8) 0.4744(10) 0.0464(11) Uani 1 1 d DU . .
C53 C 0.6104(15) 0.2880(7) 0.4312(7) 0.0583(19) Uani 1 1 d DU . .
C54 C 0.7294(15) 0.2925(7) 0.4416(8) 0.062(2) Uani 1 1 d DU . .
H54A H 0.7744 0.2625 0.4552 0.074 Uiso 1 1 calc R . .
C55 C 0.7858(16) 0.3393(7) 0.4330(9) 0.065(2) Uani 1 1 d DU . .
H55A H 0.8683 0.3410 0.4407 0.077 Uiso 1 1 calc R . .
C56 C 0.7211(15) 0.3845(7) 0.4129(10) 0.065(2) Uani 1 1 d DU . .
H56A H 0.7594 0.4167 0.4067 0.079 Uiso 1 1 calc R . .
C57 C 0.6041(15) 0.3811(7) 0.4026(10) 0.065(2) Uani 1 1 d DU . .
H57A H 0.5597 0.4111 0.3881 0.078 Uiso 1 1 calc R . .
C58 C 0.5468(16) 0.3337(7) 0.4131(9) 0.062(2) Uani 1 1 d DU . .
H58A H 0.4641 0.3326 0.4079 0.075 Uiso 1 1 calc R . .
C59 C 0.4671(2) 0.1191(8) 0.5207(11) 0.100 Uiso 0.360(17) 1 d PDU A -1
C60 C 0.4726(5) 0.1244(11) 0.5856(13) 0.100 Uiso 0.360(17) 1 d PDU A -1
H60A H 0.4855 0.1584 0.6034 0.120 Uiso 0.360(17) 1 calc PR A -1
C61 C 0.4605(8) 0.0831(11) 0.6263(14) 0.100 Uiso 0.360(17) 1 d PDU A -1
H61A H 0.4651 0.0892 0.6707 0.120 Uiso 0.360(17) 1 calc PR A -1
C62 C 0.4412(13) 0.0316(9) 0.6022(13) 0.100 Uiso 0.360(17) 1 d PDU A -1
H62A H 0.4326 0.0027 0.6295 0.120 Uiso 0.360(17) 1 calc PR A -1
C63 C 0.4355(15) 0.0255(11) 0.5391(15) 0.100 Uiso 0.360(17) 1 d PDU A -1
H63A H 0.4226 -0.0087 0.5218 0.120 Uiso 0.360(17) 1 calc PR A -1
C64 C 0.4478(10) 0.0673(11) 0.4977(15) 0.100 Uiso 0.360(17) 1 d PDU A -1
H64A H 0.4430 0.0608 0.4533 0.120 Uiso 0.360(17) 1 calc PR A -1
C59A C 0.4671(2) 0.1191(8) 0.5207(11) 0.100 Uiso 0.640(17) 1 d PDU A -2
C60A C 0.537(2) 0.1082(10) 0.5759(13) 0.100 Uiso 0.640(17) 1 d PDU A -2
H60B H 0.6027 0.1304 0.5854 0.120 Uiso 0.640(17) 1 calc PR A -2
C61A C 0.524(2) 0.0695(11) 0.6192(13) 0.100 Uiso 0.640(17) 1 d PDU A -2
H61B H 0.5702 0.0688 0.6593 0.120 Uiso 0.640(17) 1 calc PR A -2
C62A C 0.4412(13) 0.0316(9) 0.6022(13) 0.100 Uiso 0.640(17) 1 d PDU A -2
H62B H 0.4470 -0.0030 0.6188 0.120 Uiso 0.640(17) 1 calc PR A -2
C63A C 0.352(2) 0.0476(13) 0.5605(16) 0.100 Uiso 0.640(17) 1 d PDU A -2
H63B H 0.2755 0.0348 0.5637 0.120 Uiso 0.640(17) 1 calc PR A -2
C64A C 0.370(4) 0.0838(16) 0.511(2) 0.100 Uiso 0.640(17) 1 d PDU A -2
H64B H 0.3189 0.0845 0.4725 0.120 Uiso 0.640(17) 1 calc PR A -2
O1 O 0.9506 0.4757 0.1847 0.100 Uiso 1 1 d DU . .
C65 C 1.0068 0.4972 0.2428 0.100 Uiso 1 1 d DU . .
C66 C 0.9538 0.4693 0.2969 0.100 Uiso 1 1 d DU . .
C67 C 0.8267 0.4643 0.2666 0.100 Uiso 1 1 d DU . .
C68 C 0.8432 0.4521 0.1971 0.100 Uiso 1 1 d DU . .
O2 O 0.4157 0.4677 0.5212 0.100 Uiso 0.50 1 d P . .
C69 C 0.4151 0.4909 0.4445 0.100 Uiso 0.50 1 d P . .
C70 C 0.5653 0.4817 0.4236 0.100 Uiso 0.50 1 d P . .
C71 C 0.6507 0.4971 0.5013 0.100 Uiso 0.50 1 d P . .
C72 C 0.5582 0.4666 0.5573 0.100 Uiso 0.50 1 d P . .
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'
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
_geom_angle_publ_flag
N1 Au1 N5 172.2(5) . . ?
N1 Au1 Au2 78.1(4) . . ?
N5 Au1 Au2 108.9(3) . . ?
N1 Au1 Au4 114.5(4) . . ?
N5 Au1 Au4 64.1(3) . . ?
Au2 Au1 Au4 84.62(2) . . ?
N3 Au2 N2 165.9(6) . . ?
N3 Au2 Au3 78.9(4) . . ?
N2 Au2 Au3 111.5(4) . . ?
N3 Au2 Au1 111.3(4) . . ?
N2 Au2 Au1 78.2(4) . . ?
Au3 Au2 Au1 94.93(2) . . ?
N7 Au3 N4 174.0(6) . . ?
N7 Au3 Au2 107.0(4) . . ?
N4 Au3 Au2 78.7(4) . . ?
N7 Au3 Au4 63.1(4) . . ?
N4 Au3 Au4 116.1(5) . . ?
Au2 Au3 Au4 85.39(2) . . ?
N8 Au4 N6 174.2(5) . . ?
N8 Au4 Au3 65.0(4) . . ?
N6 Au4 Au3 109.3(3) . . ?
N8 Au4 Au1 116.7(4) . . ?
N6 Au4 Au1 63.9(3) . . ?
Au3 Au4 Au1 94.00(2) . . ?
C1 N1 C2 116.3(14) . . ?
C1 N1 Au1 127.2(11) . . ?
C2 N1 Au1 116.4(11) . . ?
C1 N2 C10 117.6(14) . . ?
C1 N2 Au2 126.6(12) . . ?
C10 N2 Au2 115.0(11) . . ?
C18 N3 C19 115.2(15) . . ?
C18 N3 Au2 129.7(13) . . ?
C19 N3 Au2 114.6(10) . . ?
C18 N4 C27 116.4(15) . . ?
C18 N4 Au3 127.1(12) . . ?
C27 N4 Au3 116.5(11) . . ?
C35 N5 N6 109.4(12) . . ?
C35 N5 Au1 135.9(11) . . ?
N6 N5 Au1 114.6(9) . . ?
C37 N6 N5 109.1(12) . . ?
C37 N6 Au4 133.6(10) . . ?
N5 N6 Au4 117.0(9) . . ?
C50 N7 N8 107.0(15) . . ?
C50 N7 Au3 132.7(13) . . ?
N8 N7 Au3 119.5(11) . . ?
C52 N8 N7 110.8(15) . . ?
C52 N8 Au4 136.1(14) . . ?
N7 N8 Au4 112.3(11) . . ?
N1 C1 N2 126.1(15) . . ?
C7 C2 N1 119.8(15) . . ?
C7 C2 C3 119.2(15) . . ?
N1 C2 C3 120.8(14) . . ?
C4 C3 C2 122.0(15) . . ?
C4 C3 C8 120.0(15) . . ?
C2 C3 C8 117.6(14) . . ?
C5 C4 C3 116.1(17) . . ?
C4 C5 C6 122.9(16) . . ?
C7 C6 C5 119.8(16) . . ?
C6 C7 C2 119.7(16) . . ?
C6 C7 C9 120.2(15) . . ?
C2 C7 C9 120.1(15) . . ?
C11 C10 C15 125.4(18) . . ?
C11 C10 N2 117.3(17) . . ?
C15 C10 N2 117.2(17) . . ?
C10 C11 C16 124.4(17) . . ?
C10 C11 C12 117.6(18) . . ?
C16 C11 C12 118.0(18) . . ?
C13 C12 C11 115.8(19) . . ?
C12 C13 C14 129.0(19) . . ?
C13 C14 C15 114.6(18) . . ?
C10 C15 C17 123.7(17) . . ?
C10 C15 C14 117.4(18) . . ?
C17 C15 C14 118.8(17) . . ?
N3 C18 N4 125.3(18) . . ?
C24 C19 C20 123.1(17) . . ?
C24 C19 N3 119.7(16) . . ?
C20 C19 N3 117.1(16) . . ?
C19 C20 C21 120.1(17) . . ?
C19 C20 C26 123.7(17) . . ?
C21 C20 C26 115.8(17) . . ?
C20 C21 C22 114.1(17) . . ?
C23 C22 C21 124.8(17) . . ?
C22 C23 C24 116.9(17) . . ?
C19 C24 C23 120.7(17) . . ?
C19 C24 C25 122.4(16) . . ?
C23 C24 C25 116.9(16) . . ?
C32 C27 C28 123.0(16) . . ?
C32 C27 N4 119.4(17) . . ?
C28 C27 N4 117.1(16) . . ?
C29 C28 C27 122.0(17) . . ?
C29 C28 C33 114.7(17) . . ?
C27 C28 C33 123.1(15) . . ?
C30 C29 C28 114.3(18) . . ?
C29 C30 C31 124.1(17) . . ?
C32 C31 C30 120.0(18) . . ?
C27 C32 C31 116.4(18) . . ?
C27 C32 C34 122.9(16) . . ?
C31 C32 C34 120.6(17) . . ?
N5 C35 C36 108.9(14) . . ?
N5 C35 C38 123.1(13) . . ?
C36 C35 C38 128.0(13) . . ?
C35 C36 C37 106.4(13) . . ?
N6 C37 C36 106.3(12) . . ?
N6 C37 C44 124.7(14) . . ?
C36 C37 C44 128.9(13) . . ?
C39 C38 C43 117.5(12) . . ?
C39 C38 C35 124.9(12) . . ?
C43 C38 C35 117.5(12) . . ?
C38 C39 C40 123.4(13) . . ?
C39 C40 C41 118.5(13) . . ?
C42 C41 C40 119.9(13) . . ?
C41 C42 C43 120.2(13) . . ?
C38 C43 C42 120.5(13) . . ?
C45 C44 C49 116.7(12) . . ?
C45 C44 C37 125.0(13) . . ?
C49 C44 C37 118.2(13) . . ?
C44 C45 C46 122.0(13) . . ?
C45 C46 C47 118.5(13) . . ?
C48 C47 C46 122.2(13) . . ?
C47 C48 C49 116.6(13) . . ?
C48 C49 C44 123.5(13) . . ?
N7 C50 C51 110.0(18) . . ?
N7 C50 C53 122.2(17) . . ?
C51 C50 C53 127.8(18) . . ?
C50 C51 C52 104.7(18) . . ?
N8 C52 C51 107.3(17) . . ?
N8 C52 C59 131.2(17) . . ?
C51 C52 C59 121.6(18) . . ?
C54 C53 C58 117.2(16) . . ?
C54 C53 C50 120.5(17) . . ?
C58 C53 C50 122.3(16) . . ?
C53 C54 C55 122.1(16) . . ?
C54 C55 C56 120.3(16) . . ?
C57 C56 C55 118.8(16) . . ?
C56 C57 C58 120.8(17) . . ?
C53 C58 C57 120.9(16) . . ?
C60 C59 C64 115.1(19) . . ?
C60 C59 C52 126.5(19) . . ?
C64 C59 C52 118(2) . . ?
C61 C60 C59 124(2) . . ?
C60 C61 C62 120(2) . . ?
C63 C62 C61 117.1(19) . . ?
C62 C63 C64 123(2) . . ?
C63 C64 C59 121(2) . . ?
C65 O1 C68 108.5 . . ?
O1 C65 C66 106.5 . . ?
C67 C66 C65 100.0 . . ?
C66 C67 C68 101.1 . . ?
O1 C68 C67 107.6 . . ?
C71 O2 C69 57.3 3_666 . ?
C71 O2 C72 134.0 3_666 . ?
C69 O2 C72 108.5 . . ?
C71 O2 C70 75.2 3_666 3_666 ?
C69 O2 C70 111.5 . 3_666 ?
C72 O2 C70 71.2 . 3_666 ?
C72 C69 C71 89.9 3_666 3_666 ?
C72 C69 O2 113.0 3_666 . ?
C71 C69 O2 44.5 3_666 . ?
C72 C69 C70 81.0 3_666 . ?
C71 C69 C70 142.4 3_666 . ?
O2 C69 C70 106.5 . . ?
O2 C70 C71 40.1 3_666 . ?
O2 C70 C69 78.0 3_666 . ?
C71 C70 C69 100.0 . . ?
O2 C70 C72 54.3 3_666 3_666 ?
C71 C70 C72 89.9 . 3_666 ?
C69 C70 C72 33.5 . 3_666 ?
O2 C71 C69 78.3 3_666 3_666 ?
O2 C71 C70 64.7 3_666 . ?
C69 C71 C70 117.5 3_666 . ?
O2 C71 C72 99.7 3_666 . ?
C69 C71 C72 37.2 3_666 . ?
C70 C71 C72 101.1 . . ?
C69 C72 O2 102.7 3_666 . ?
C69 C72 C71 52.9 3_666 . ?
O2 C72 C71 107.6 . . ?
C69 C72 C70 65.5 3_666 3_666 ?
O2 C72 C70 54.5 . 3_666 ?
C71 C72 C70 109.4 . 3_666 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.044(13) . ?
Au1 N5 2.047(11) . ?
Au1 Au2 3.1149(9) . ?
Au1 Au4 3.1482(9) . ?
Au2 N3 1.995(14) . ?
Au2 N2 2.039(13) . ?
Au2 Au3 3.1020(9) . ?
Au3 N7 1.979(15) . ?
Au3 N4 2.022(15) . ?
Au3 Au4 3.1153(9) . ?
Au4 N8 2.017(15) . ?
Au4 N6 2.021(12) . ?
N1 C1 1.28(2) . ?
N1 C2 1.41(2) . ?
N2 C1 1.32(2) . ?
N2 C10 1.42(2) . ?
N3 C18 1.271(19) . ?
N3 C19 1.48(2) . ?
N4 C18 1.34(2) . ?
N4 C27 1.46(2) . ?
N5 C35 1.301(18) . ?
N5 N6 1.370(16) . ?
N6 C37 1.355(18) . ?
N7 C50 1.34(2) . ?
N7 N8 1.369(19) . ?
N8 C52 1.34(2) . ?
C2 C7 1.41(2) . ?
C2 C3 1.43(2) . ?
C3 C4 1.419(19) . ?
C3 C8 1.60(2) . ?
C4 C5 1.39(2) . ?
C5 C6 1.43(2) . ?
C6 C7 1.374(19) . ?
C7 C9 1.49(2) . ?
C10 C11 1.37(2) . ?
C10 C15 1.36(2) . ?
C11 C16 1.47(2) . ?
C11 C12 1.49(2) . ?
C12 C13 1.35(3) . ?
C13 C14 1.35(2) . ?
C14 C15 1.51(2) . ?
C15 C17 1.43(2) . ?
C19 C24 1.37(2) . ?
C19 C20 1.39(2) . ?
C20 C21 1.43(2) . ?
C20 C26 1.50(2) . ?
C21 C22 1.46(2) . ?
C22 C23 1.39(2) . ?
C23 C24 1.39(2) . ?
C24 C25 1.56(2) . ?
C27 C32 1.40(2) . ?
C27 C28 1.42(2) . ?
C28 C29 1.42(2) . ?
C28 C33 1.59(2) . ?
C29 C30 1.40(2) . ?
C30 C31 1.45(2) . ?
C31 C32 1.40(2) . ?
C32 C34 1.49(2) . ?
C35 C36 1.400(19) . ?
C35 C38 1.487(19) . ?
C36 C37 1.41(2) . ?
C37 C44 1.430(18) . ?
C38 C39 1.360(15) . ?
C38 C43 1.408(15) . ?
C39 C40 1.378(15) . ?
C40 C41 1.424(16) . ?
C41 C42 1.348(15) . ?
C42 C43 1.413(15) . ?
C44 C45 1.360(15) . ?
C44 C49 1.395(15) . ?
C45 C46 1.384(15) . ?
C46 C47 1.383(16) . ?
C47 C48 1.358(16) . ?
C48 C49 1.383(15) . ?
C50 C51 1.40(3) . ?
C50 C53 1.48(2) . ?
C51 C52 1.42(2) . ?
C52 C59 1.50(3) . ?
C53 C54 1.373(17) . ?
C53 C58 1.407(17) . ?
C54 C55 1.382(17) . ?
C55 C56 1.413(17) . ?
C56 C57 1.349(17) . ?
C57 C58 1.410(17) . ?
C59 C60 1.38(2) . ?
C59 C64 1.42(2) . ?
C60 C61 1.38(2) . ?
C61 C62 1.42(2) . ?
C62 C63 1.34(2) . ?
C63 C64 1.40(2) . ?
C60A C61A 1.369(19) . ?
C63A C64A 1.43(5) . ?
O1 C65 1.4317 . ?
O1 C68 1.4334 . ?
C65 C66 1.5401 . ?
C66 C67 1.5381 . ?
C67 C68 1.5422 . ?
O2 C71 1.2380 3_666 ?
O2 C69 1.7297 . ?
O2 C72 1.7319 . ?
O2 C70 1.7375 3_666 ?
C69 C72 1.1274 3_666 ?
C69 C71 1.4859 3_666 ?
C69 C70 1.8606 . ?
C70 O2 1.7375 3_666 ?
C70 C71 1.8582 . ?
C70 C72 2.0194 3_666 ?
C71 O2 1.2380 3_666 ?
C71 C69 1.4859 3_666 ?
C71 C72 1.8633 . ?
C72 C69 1.1274 3_666 ?
C72 C70 2.0194 3_666 ?
