#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/99/4309966.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_4309966
loop_
_publ_author_name
'Mohammad A. Omary'
'Manal A. Rawashdeh-Omary'
'M. W. Alexander Gonser'
'Oussama Elbjeirami'
'Tom Grimes'
'Thomas R. Cundari'
'Himashinie V. K. Diyabalanage'
'Chammi S. Palehepitiya Gamage'
'H. V. Rasika Dias'
_publ_section_title
;
Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base
Character of Trinuclear Pyrazolato Coinage Metal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8200
_journal_page_last               8210
_journal_paper_doi               10.1021/ic0508730
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C18.5 H7 Au3 F18 N6'
_chemical_formula_weight         1246.20
_chemical_name_common            {[3,5-(CF3)2Pz]Au}3-0.5Toluene
_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                94.6570(10)
_cell_angle_beta                 103.2680(10)
_cell_angle_gamma                111.1770(10)
_cell_formula_units_Z            4
_cell_length_a                   13.0872(5)
_cell_length_b                   13.7656(6)
_cell_length_c                   16.6853(7)
_cell_measurement_reflns_used    7431
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.36
_cell_volume                     2683.13(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27975
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    16.512
_exptl_absorpt_correction_T_max  0.2227
_exptl_absorpt_correction_T_min  0.0710
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.085
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rods
_exptl_crystal_F_000             2236
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.776
_refine_diff_density_min         -1.712
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         10486
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0255
_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)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0707
_reflns_number_gt                9692
_reflns_number_total             10486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0508730si20050531_100753_1.cif
_cod_data_source_block           dias2s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum        'C18.50 H7 Au3 F18 N6'
_cod_database_code               4309966
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_assembly
_atom_site_disorder_group
Au1 Au 0.545789(17) 0.273227(16) 0.513759(13) 0.01806(6) Uani 1 1 d . . .
Au2 Au 0.338516(17) 0.357592(16) 0.440064(12) 0.01766(6) Uani 1 1 d . . .
Au3 Au 0.586527(18) 0.458988(17) 0.393383(13) 0.01949(6) Uani 1 1 d . . .
Au4 Au 0.105776(17) 0.229835(16) 0.055538(12) 0.01689(6) Uani 1 1 d . . .
Au5 Au 0.198870(18) 0.034490(16) 0.065901(13) 0.01852(6) Uani 1 1 d . . .
Au6 Au -0.021789(18) 0.026311(16) 0.142034(13) 0.01965(6) Uani 1 1 d . . .
N1 N 0.3960(4) 0.2110(4) 0.5398(3) 0.0205(10) Uani 1 1 d . . .
N2 N 0.3097(4) 0.2371(4) 0.5033(3) 0.0200(10) Uani 1 1 d . . .
N3 N 0.3631(4) 0.4706(4) 0.3685(3) 0.0203(10) Uani 1 1 d . . .
N4 N 0.4649(4) 0.5120(4) 0.3501(3) 0.0206(10) Uani 1 1 d . . .
N5 N 0.7048(4) 0.3992(4) 0.4291(3) 0.0255(11) Uani 1 1 d . . .
N6 N 0.6920(4) 0.3289(4) 0.4826(3) 0.0216(10) Uani 1 1 d . . .
N7 N 0.2408(4) 0.2395(4) 0.0138(3) 0.0215(10) Uani 1 1 d . . .
N8 N 0.2775(4) 0.1583(4) 0.0157(3) 0.0196(10) Uani 1 1 d . . .
N9 N 0.1252(4) -0.0850(4) 0.1218(3) 0.0227(10) Uani 1 1 d . . .
N10 N 0.0362(4) -0.0894(4) 0.1507(3) 0.0211(10) Uani 1 1 d . . .
N11 N -0.0739(4) 0.1463(4) 0.1395(3) 0.0220(10) Uani 1 1 d . . .
N12 N -0.0212(4) 0.2285(4) 0.1023(3) 0.0197(10) Uani 1 1 d . . .
C1 C 0.3554(5) 0.1290(5) 0.5778(4) 0.0238(12) Uani 1 1 d . . .
C2 C 0.2396(5) 0.0999(5) 0.5662(4) 0.0254(13) Uani 1 1 d . . .
H2A H 0.1891 0.0443 0.5857 0.030 Uiso 1 1 calc R . .
C3 C 0.2147(5) 0.1716(5) 0.5193(4) 0.0248(13) Uani 1 1 d . . .
C4 C 0.4330(5) 0.0820(5) 0.6251(4) 0.0303(14) Uani 1 1 d . . .
C5 C 0.1004(5) 0.1730(5) 0.4805(5) 0.0344(15) Uani 1 1 d . . .
C6 C 0.2899(5) 0.5031(4) 0.3210(3) 0.0240(13) Uani 1 1 d . . .
C7 C 0.3420(6) 0.5685(5) 0.2710(4) 0.0305(14) Uani 1 1 d . . .
H7A H 0.3101 0.6038 0.2323 0.037 Uiso 1 1 calc R . .
C8 C 0.4502(6) 0.5704(5) 0.2899(4) 0.0273(13) Uani 1 1 d . . .
C9 C 0.1680(6) 0.4643(5) 0.3238(4) 0.0321(15) Uani 1 1 d . . .
C10 C 0.5446(6) 0.6228(5) 0.2519(4) 0.0345(15) Uani 1 1 d . . .
C11 C 0.8043(5) 0.4133(5) 0.4094(4) 0.0287(13) Uani 1 1 d . . .
C12 C 0.8562(6) 0.3545(5) 0.4518(4) 0.0357(15) Uani 1 1 d . . .
H12A H 0.9269 0.3506 0.4508 0.043 Uiso 1 1 calc R . .
C13 C 0.7829(5) 0.3023(5) 0.4963(4) 0.0292(14) Uani 1 1 d . . .
C14 C 0.8406(6) 0.4838(7) 0.3503(5) 0.0434(18) Uani 1 1 d . . .
C15 C 0.7947(5) 0.2275(5) 0.5534(5) 0.0356(16) Uani 1 1 d . . .
C16 C 0.3149(5) 0.3184(5) -0.0100(3) 0.0216(12) Uani 1 1 d . . .
C17 C 0.4012(5) 0.2907(5) -0.0254(4) 0.0258(13) Uani 1 1 d . . .
H17A H 0.4643 0.3318 -0.0438 0.031 Uiso 1 1 calc R . .
C18 C 0.3744(5) 0.1901(5) -0.0081(3) 0.0224(12) Uani 1 1 d . . .
C19 C 0.2987(5) 0.4194(5) -0.0177(4) 0.0270(13) Uani 1 1 d . . .
C20 C 0.4417(5) 0.1226(5) -0.0096(4) 0.0304(14) Uani 1 1 d . . .
C21 C 0.1550(5) -0.1666(4) 0.1428(3) 0.0243(13) Uani 1 1 d . . .
C22 C 0.0809(5) -0.2266(5) 0.1853(4) 0.0282(13) Uani 1 1 d . . .
H22A H 0.0802 -0.2887 0.2065 0.034 Uiso 1 1 calc R . .
C23 C 0.0080(5) -0.1737(4) 0.1892(4) 0.0249(13) Uani 1 1 d . . .
C24 C 0.2557(6) -0.1787(5) 0.1256(4) 0.0314(14) Uani 1 1 d . . .
C25 C -0.0822(6) -0.1967(5) 0.2339(4) 0.0339(15) Uani 1 1 d . . .
C26 C -0.1498(5) 0.1699(5) 0.1707(4) 0.0251(13) Uani 1 1 d . . .
C27 C -0.1485(5) 0.2666(5) 0.1542(4) 0.0272(13) Uani 1 1 d . . .
H27A H -0.1937 0.3020 0.1689 0.033 Uiso 1 1 calc R . .
C28 C -0.0670(5) 0.3007(4) 0.1116(3) 0.0200(11) Uani 1 1 d . . .
C29 C -0.2161(5) 0.1009(5) 0.2209(4) 0.0296(14) Uani 1 1 d . . .
C30 C -0.0278(5) 0.4016(5) 0.0782(4) 0.0240(12) Uani 1 1 d . . .
C31 C 0.3321(6) 0.1284(5) 0.2934(4) 0.0336(15) Uani 1 1 d . . .
C32 C 0.4389(7) 0.1424(6) 0.2824(4) 0.0430(18) Uani 1 1 d . . .
H32A H 0.4752 0.0974 0.3031 0.052 Uiso 1 1 calc R . .
C33 C 0.4917(7) 0.2203(6) 0.2419(4) 0.0441(18) Uani 1 1 d . . .
H33A H 0.5637 0.2279 0.2342 0.053 Uiso 1 1 calc R . .
C34 C 0.4422(7) 0.2873(5) 0.2127(4) 0.0423(18) Uani 1 1 d . . .
H34A H 0.4790 0.3405 0.1841 0.051 Uiso 1 1 calc R . .
C35 C 0.3395(6) 0.2770(5) 0.2249(4) 0.0373(17) Uani 1 1 d . . .
H35A H 0.3061 0.3249 0.2062 0.045 Uiso 1 1 calc R . .
C36 C 0.2833(6) 0.1978(5) 0.2641(4) 0.0362(17) Uani 1 1 d . . .
H36A H 0.2111 0.1909 0.2711 0.043 Uiso 1 1 calc R . .
C37 C 0.2754(8) 0.0418(6) 0.3356(5) 0.060(2) Uani 1 1 d . . .
H37A H 0.2665 -0.0262 0.3054 0.090 Uiso 1 1 calc R . .
H37B H 0.2002 0.0406 0.3359 0.090 Uiso 1 1 calc R . .
H37C H 0.3222 0.0537 0.3933 0.090 Uiso 1 1 calc R . .
F4C F 0.5192(4) 0.1551(4) 0.6844(3) 0.0539(12) Uani 1 1 d . . .
F4B F 0.4805(3) 0.0410(3) 0.5765(2) 0.0386(9) Uani 1 1 d . . .
F4A F 0.3766(4) 0.0050(4) 0.6608(3) 0.0590(13) Uani 1 1 d . . .
F5C F 0.1016(3) 0.2698(3) 0.4923(3) 0.0572(13) Uani 1 1 d . . .
F5B F 0.0654(4) 0.1401(5) 0.3995(3) 0.0747(16) Uani 1 1 d . . .
F5A F 0.0223(3) 0.1123(3) 0.5128(3) 0.0480(11) Uani 1 1 d . . .
F14C F 0.7704(5) 0.4509(5) 0.2747(3) 0.0739(16) Uani 1 1 d . . .
F14B F 0.8408(6) 0.5784(4) 0.3691(4) 0.102(2) Uani 1 1 d . . .
F14A F 0.9385(5) 0.4940(8) 0.3442(5) 0.161(4) Uani 1 1 d . . .
F15C F 0.8980(4) 0.2279(5) 0.5709(4) 0.097(2) Uani 1 1 d . . .
F15B F 0.7769(5) 0.2509(4) 0.6258(3) 0.0649(14) Uani 1 1 d . . .
F15A F 0.7209(5) 0.1295(4) 0.5229(3) 0.0838(19) Uani 1 1 d . . .
F9C F 0.1164(4) 0.5221(4) 0.2824(2) 0.0459(10) Uani 1 1 d . . .
F9B F 0.1101(3) 0.3629(3) 0.2852(2) 0.0434(10) Uani 1 1 d . . .
F9A F 0.1553(3) 0.4695(3) 0.3996(2) 0.0299(8) Uani 1 1 d . . .
F10C F 0.6447(4) 0.6756(3) 0.3077(2) 0.0439(10) Uani 1 1 d . . .
F10B F 0.5205(4) 0.6903(4) 0.2059(3) 0.0583(13) Uani 1 1 d . . .
F10A F 0.5596(4) 0.5515(3) 0.2005(2) 0.0419(10) Uani 1 1 d . . .
F18C F 0.3748(3) 0.4827(3) -0.0512(3) 0.0416(10) Uani 1 1 d . . .
F19B F 0.3107(4) 0.4731(3) 0.0570(2) 0.0469(11) Uani 1 1 d . . .
F19A F 0.1950(3) 0.4032(3) -0.0657(3) 0.0446(10) Uani 1 1 d . . .
F20C F 0.4906(3) 0.1381(3) -0.0722(3) 0.0451(10) Uani 1 1 d . . .
F20B F 0.5259(4) 0.1483(4) 0.0596(3) 0.0691(15) Uani 1 1 d . . .
F20A F 0.3794(4) 0.0203(3) -0.0218(3) 0.0550(12) Uani 1 1 d . . .
F24C F 0.3529(3) -0.0990(3) 0.1691(2) 0.0372(9) Uani 1 1 d . . .
F24B F 0.2537(3) -0.1820(3) 0.0441(2) 0.0310(8) Uani 1 1 d . . .
F24A F 0.2628(3) -0.2683(3) 0.1458(2) 0.0418(10) Uani 1 1 d . . .
F25C F -0.0516(4) -0.1246(4) 0.3013(2) 0.0523(11) Uani 1 1 d . . .
F25B F -0.1031(4) -0.2903(4) 0.2571(3) 0.0608(13) Uani 1 1 d . . .
F25A F -0.1804(3) -0.1994(3) 0.1852(2) 0.0394(9) Uani 1 1 d . . .
F29C F -0.1575(4) 0.1204(4) 0.3006(2) 0.0583(13) Uani 1 1 d . . .
F29B F -0.2468(4) -0.0025(3) 0.1938(3) 0.0558(12) Uani 1 1 d . . .
F29A F -0.3107(3) 0.1160(4) 0.2186(3) 0.0504(12) Uani 1 1 d . . .
F30C F 0.0851(3) 0.4555(3) 0.1076(2) 0.0331(8) Uani 1 1 d . . .
F30B F -0.0770(4) 0.4639(3) 0.1004(3) 0.0505(12) Uani 1 1 d . . .
F30A F -0.0518(3) 0.3837(3) -0.0051(2) 0.0385(9) 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'
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'
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
N6 Au1 N1 176.93(19) . . ?
N6 Au1 Au2 120.34(13) . . ?
N1 Au1 Au2 59.87(13) . . ?
N6 Au1 Au3 60.51(13) . . ?
N1 Au1 Au3 119.73(13) . . ?
Au2 Au1 Au3 59.872(6) . . ?
N2 Au2 N3 175.68(17) . . ?
N2 Au2 Au3 94.63(13) . 2_666 ?
N3 Au2 Au3 89.68(12) . 2_666 ?
N2 Au2 Au3 119.55(13) . . ?
N3 Au2 Au3 60.27(14) . . ?
Au3 Au2 Au3 95.007(7) 2_666 . ?
N2 Au2 Au1 59.73(13) . . ?
N3 Au2 Au1 120.34(14) . . ?
Au3 Au2 Au1 94.748(8) 2_666 . ?
Au3 Au2 Au1 60.068(7) . . ?
N4 Au3 N5 176.01(19) . . ?
N4 Au3 Au2 84.52(12) . 2_666 ?
N5 Au3 Au2 99.45(14) . 2_666 ?
N4 Au3 Au2 60.75(13) . . ?
N5 Au3 Au2 119.69(13) . . ?
Au2 Au3 Au2 84.993(7) 2_666 . ?
N4 Au3 Au1 120.80(13) . . ?
N5 Au3 Au1 59.85(13) . . ?
Au2 Au3 Au1 89.752(8) 2_666 . ?
Au2 Au3 Au1 60.060(6) . . ?
N12 Au4 N7 176.33(19) . . ?
N12 Au4 Au5 121.20(13) . . ?
N7 Au4 Au5 60.40(13) . . ?
N12 Au4 Au6 60.20(13) . . ?
N7 Au4 Au6 121.37(13) . . ?
Au5 Au4 Au6 61.012(7) . . ?
N9 Au5 N8 177.13(19) . . ?
N9 Au5 Au4 118.66(13) . . ?
N8 Au5 Au4 61.02(12) . . ?
N10 Au6 N11 176.87(19) . . ?
N10 Au6 Au4 119.08(13) . . ?
N11 Au6 Au4 60.97(13) . . ?
N2 N1 C1 108.5(5) . . ?
N2 N1 Au1 119.8(3) . . ?
C1 N1 Au1 130.5(4) . . ?
N1 N2 C3 107.9(5) . . ?
N1 N2 Au2 119.8(3) . . ?
C3 N2 Au2 132.3(4) . . ?
C6 N3 N4 108.4(5) . . ?
C6 N3 Au2 131.1(4) . . ?
N4 N3 Au2 119.4(3) . . ?
C8 N4 N3 106.4(5) . . ?
C8 N4 Au3 132.7(4) . . ?
N3 N4 Au3 119.6(3) . . ?
N6 N5 C11 107.3(5) . . ?
N6 N5 Au3 120.2(3) . . ?
C11 N5 Au3 132.5(4) . . ?
C13 N6 N5 107.9(5) . . ?
C13 N6 Au1 132.5(4) . . ?
N5 N6 Au1 119.1(3) . . ?
C16 N7 N8 107.9(5) . . ?
C16 N7 Au4 131.8(4) . . ?
N8 N7 Au4 120.0(4) . . ?
C18 N8 N7 107.1(4) . . ?
C18 N8 Au5 133.5(4) . . ?
N7 N8 Au5 118.6(3) . . ?
N10 N9 C21 108.6(5) . . ?
N10 N9 Au5 120.9(3) . . ?
C21 N9 Au5 130.3(4) . . ?
N9 N10 C23 108.5(5) . . ?
N9 N10 Au6 120.2(3) . . ?
C23 N10 Au6 131.0(4) . . ?
C26 N11 N12 108.0(5) . . ?
C26 N11 Au6 134.0(4) . . ?
N12 N11 Au6 117.9(3) . . ?
C28 N12 N11 106.8(4) . . ?
C28 N12 Au4 132.1(4) . . ?
N11 N12 Au4 120.9(3) . . ?
N1 C1 C2 110.2(5) . . ?
N1 C1 C4 120.9(5) . . ?
C2 C1 C4 128.9(5) . . ?
C1 C2 C3 103.5(5) . . ?
C1 C2 H2A 128.3 . . ?
C3 C2 H2A 128.3 . . ?
N2 C3 C2 110.0(5) . . ?
N2 C3 C5 121.4(5) . . ?
C2 C3 C5 128.2(6) . . ?
F4A C4 F4B 107.1(5) . . ?
F4A C4 F4C 108.4(5) . . ?
F4B C4 F4C 105.9(5) . . ?
F4A C4 C1 111.1(5) . . ?
F4B C4 C1 112.9(5) . . ?
F4C C4 C1 111.2(5) . . ?
F5B C5 F5A 107.5(6) . . ?
F5B C5 F5C 105.9(6) . . ?
F5A C5 F5C 107.5(5) . . ?
F5B C5 C3 112.8(6) . . ?
F5A C5 C3 111.0(5) . . ?
F5C C5 C3 111.8(5) . . ?
N3 C6 C7 110.5(6) . . ?
N3 C6 C9 120.4(5) . . ?
C7 C6 C9 129.1(5) . . ?
C8 C7 C6 104.1(5) . . ?
C8 C7 H7A 128.0 . . ?
C6 C7 H7A 128.0 . . ?
N4 C8 C7 110.7(5) . . ?
N4 C8 C10 120.3(5) . . ?
C7 C8 C10 129.0(6) . . ?
F9A C9 F9B 106.8(5) . . ?
F9A C9 F9C 107.9(5) . . ?
F9B C9 F9C 107.1(5) . . ?
F9A C9 C6 114.4(5) . . ?
F9B C9 C6 111.0(5) . . ?
F9C C9 C6 109.3(5) . . ?
F10C C10 F10B 107.7(6) . . ?
F10C C10 F10A 106.3(6) . . ?
F10B C10 F10A 106.7(5) . . ?
F10C C10 C8 113.7(5) . . ?
F10B C10 C8 110.6(6) . . ?
F10A C10 C8 111.5(5) . . ?
N5 C11 C12 109.7(5) . . ?
N5 C11 C14 120.2(6) . . ?
C12 C11 C14 130.0(6) . . ?
C11 C12 C13 104.8(6) . . ?
C11 C12 H12A 127.6 . . ?
C13 C12 H12A 127.6 . . ?
N6 C13 C12 110.3(6) . . ?
N6 C13 C15 120.8(5) . . ?
C12 C13 C15 128.9(6) . . ?
F14A C14 F14C 107.4(7) . . ?
F14A C14 F14B 108.7(8) . . ?
F14C C14 F14B 101.5(7) . . ?
F14A C14 C11 111.8(6) . . ?
F14C C14 C11 113.1(6) . . ?
F14B C14 C11 113.6(6) . . ?
F15C C15 F15A 108.4(6) . . ?
F15C C15 F15B 106.3(7) . . ?
F15A C15 F15B 104.6(6) . . ?
F15C C15 C13 111.1(6) . . ?
F15A C15 C13 113.0(6) . . ?
F15B C15 C13 113.0(6) . . ?
N7 C16 C17 110.5(5) . . ?
N7 C16 C19 120.9(5) . . ?
C17 C16 C19 128.6(5) . . ?
C18 C17 C16 104.0(5) . . ?
C18 C17 H17A 128.0 . . ?
C16 C17 H17A 128.0 . . ?
N8 C18 C17 110.4(5) . . ?
N8 C18 C20 121.9(5) . . ?
C17 C18 C20 127.6(5) . . ?
F18C C19 F19A 107.5(5) . . ?
F18C C19 F19B 107.3(5) . . ?
F19A C19 F19B 106.6(5) . . ?
F18C C19 C16 111.1(5) . . ?
F19A C19 C16 112.2(5) . . ?
F19B C19 C16 111.9(5) . . ?
F20A C20 F20B 108.9(6) . . ?
F20A C20 F20C 106.5(5) . . ?
F20B C20 F20C 106.1(5) . . ?
F20A C20 C18 113.6(5) . . ?
F20B C20 C18 111.7(5) . . ?
F20C C20 C18 109.7(5) . . ?
N9 C21 C22 109.1(5) . . ?
N9 C21 C24 121.7(5) . . ?
C22 C21 C24 129.0(5) . . ?
C21 C22 C23 103.9(5) . . ?
C21 C22 H22A 128.0 . . ?
C23 C22 H22A 128.0 . . ?
N10 C23 C22 109.8(5) . . ?
N10 C23 C25 122.1(5) . . ?
C22 C23 C25 127.9(5) . . ?
F24A C24 F24C 107.3(5) . . ?
F24A C24 F24B 106.7(5) . . ?
F24C C24 F24B 106.5(5) . . ?
F24A C24 C21 111.0(5) . . ?
F24C C24 C21 112.1(5) . . ?
F24B C24 C21 112.9(5) . . ?
F25C C25 F25B 108.3(5) . . ?
F25C C25 F25A 107.3(6) . . ?
F25B C25 F25A 107.6(5) . . ?
F25C C25 C23 111.7(5) . . ?
F25B C25 C23 110.0(6) . . ?
F25A C25 C23 111.8(5) . . ?
N11 C26 C27 110.1(5) . . ?
N11 C26 C29 122.0(5) . . ?
C27 C26 C29 127.7(5) . . ?
C26 C27 C28 104.6(5) . . ?
C26 C27 H27A 127.7 . . ?
C28 C27 H27A 127.7 . . ?
N12 C28 C27 110.4(5) . . ?
N12 C28 C30 120.8(5) . . ?
C27 C28 C30 128.8(5) . . ?
F29A C29 F29C 107.3(5) . . ?
F29A C29 F29B 107.0(5) . . ?
F29C C29 F29B 106.1(5) . . ?
F29A C29 C26 110.8(5) . . ?
F29C C29 C26 112.1(5) . . ?
F29B C29 C26 113.2(5) . . ?
F30B C30 F30A 108.4(5) . . ?
F30B C30 F30C 107.4(5) . . ?
F30A C30 F30C 106.7(5) . . ?
F30B C30 C28 110.4(5) . . ?
F30A C30 C28 111.9(5) . . ?
F30C C30 C28 111.8(5) . . ?
C36 C31 C32 117.8(7) . . ?
C36 C31 C37 122.5(7) . . ?
C32 C31 C37 119.7(7) . . ?
C33 C32 C31 120.7(7) . . ?
C33 C32 H32A 119.6 . . ?
C31 C32 H32A 119.6 . . ?
C34 C33 C32 120.9(8) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C35 C34 C33 119.3(7) . . ?
C35 C34 H34A 120.3 . . ?
C33 C34 H34A 120.3 . . ?
C34 C35 C36 121.0(6) . . ?
C34 C35 H35A 119.5 . . ?
C36 C35 H35A 119.5 . . ?
C35 C36 C31 120.2(7) . . ?
C35 C36 H36A 119.9 . . ?
C31 C36 H36A 119.9 . . ?
C31 C37 H37A 109.5 . . ?
C31 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C31 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 N6 1.996(5) . ?
Au1 N1 2.001(5) . ?
Au1 Au2 3.3460(3) . ?
Au1 Au3 3.3463(3) . ?
Au2 N2 2.005(5) . ?
Au2 N3 2.016(5) . ?
Au2 Au3 3.2985(3) 2_666 ?
Au2 Au3 3.3397(3) . ?
Au3 N4 1.997(5) . ?
Au3 N5 2.002(5) . ?
Au3 Au2 3.2985(3) 2_666 ?
Au4 N12 1.986(4) . ?
Au4 N7 2.009(5) . ?
Au4 Au5 3.3303(3) . ?
Au4 Au6 3.3320(3) . ?
Au5 N9 2.005(5) . ?
Au5 N8 2.007(5) . ?
Au6 N10 1.999(5) . ?
Au6 N11 2.002(5) . ?
N1 N2 1.338(6) . ?
N1 C1 1.340(7) . ?
N2 C3 1.347(7) . ?
N3 C6 1.328(7) . ?
N3 N4 1.365(6) . ?
N4 C8 1.359(7) . ?
N5 N6 1.361(6) . ?
N5 C11 1.365(7) . ?
N6 C13 1.343(7) . ?
N7 C16 1.328(7) . ?
N7 N8 1.366(6) . ?
N8 C18 1.347(7) . ?
N9 N10 1.344(6) . ?
N9 C21 1.361(7) . ?
N10 C23 1.347(7) . ?
N11 C26 1.343(7) . ?
N11 N12 1.374(6) . ?
N12 C28 1.349(7) . ?
C1 C2 1.382(8) . ?
C1 C4 1.503(8) . ?
C2 C3 1.391(8) . ?
C2 H2A 0.9500 . ?
C3 C5 1.494(8) . ?
C4 F4A 1.328(7) . ?
C4 F4B 1.330(7) . ?
C4 F4C 1.331(8) . ?
C5 F5B 1.307(8) . ?
C5 F5A 1.321(7) . ?
C5 F5C 1.327(7) . ?
C6 C7 1.382(8) . ?
C6 C9 1.502(9) . ?
C7 C8 1.367(9) . ?
C7 H7A 0.9500 . ?
C8 C10 1.496(9) . ?
C9 F9A 1.312(7) . ?
C9 F9B 1.342(8) . ?
C9 F9C 1.352(7) . ?
C10 F10C 1.325(8) . ?
C10 F10B 1.331(7) . ?
C10 F10A 1.348(7) . ?
C11 C12 1.374(9) . ?
C11 C14 1.475(9) . ?
C12 C13 1.379(9) . ?
C12 H12A 0.9500 . ?
C13 C15 1.483(9) . ?
C14 F14A 1.265(8) . ?
C14 F14C 1.310(9) . ?
C14 F14B 1.312(10) . ?
C15 F15C 1.314(8) . ?
C15 F15A 1.316(8) . ?
C15 F15B 1.318(8) . ?
C16 C17 1.383(8) . ?
C16 C19 1.491(8) . ?
C17 C18 1.373(8) . ?
C17 H17A 0.9500 . ?
C18 C20 1.496(8) . ?
C19 F18C 1.330(7) . ?
C19 F19A 1.336(7) . ?
C19 F19B 1.342(7) . ?
C20 F20A 1.318(8) . ?
C20 F20B 1.319(7) . ?
C20 F20C 1.339(7) . ?
C21 C22 1.398(8) . ?
C21 C24 1.474(9) . ?
C22 C23 1.402(9) . ?
C22 H22A 0.9500 . ?
C23 C25 1.492(9) . ?
C24 F24A 1.335(7) . ?
C24 F24C 1.337(7) . ?
C24 F24B 1.351(7) . ?
C25 F25C 1.318(8) . ?
C25 F25B 1.327(7) . ?
C25 F25A 1.341(8) . ?
C26 C27 1.376(8) . ?
C26 C29 1.491(8) . ?
C27 C28 1.380(8) . ?
C27 H27A 0.9500 . ?
C28 C30 1.498(8) . ?
C29 F29A 1.321(7) . ?
C29 F29C 1.325(7) . ?
C29 F29B 1.338(8) . ?
C30 F30B 1.321(6) . ?
C30 F30A 1.334(7) . ?
C30 F30C 1.338(7) . ?
C31 C36 1.390(9) . ?
C31 C32 1.398(10) . ?
C31 C37 1.485(10) . ?
C32 C33 1.372(11) . ?
C32 H32A 0.9500 . ?
C33 C34 1.367(10) . ?
C33 H33A 0.9500 . ?
C34 C35 1.364(10) . ?
C34 H34A 0.9500 . ?
C35 C36 1.384(10) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
