#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:50:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179766 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006261.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_7006261
loop_
_publ_author_name
'Bartolomé, Camino'
'Carrasco-Rando, Marta'
'Coco, Silverio'
'Cordovilla, Carlos'
'Espinet, Pablo'
'Martín-Alvarez, Jose M.'
_publ_section_title
;
 Gold(i)--carbenes derived from 4-pyridylisocyanide complexes:
 supramolecular macrocycles supported by hydrogen bonds, and
 luminescent behavior
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              5339
_journal_paper_doi               10.1039/b711430c
_journal_year                    2007
_chemical_formula_sum            'C19 H17 Au F9 N3'
_chemical_formula_weight         655.32
_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                98.662(7)
_cell_angle_beta                 103.113(6)
_cell_angle_gamma                105.187(7)
_cell_formula_units_Z            4
_cell_length_a                   10.714(3)
_cell_length_b                   12.890(4)
_cell_length_c                   19.055(6)
_cell_measurement_temperature    298(2)
_cell_volume                     2410.9(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      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11430
_diffrn_reflns_theta_full        23.32
_diffrn_reflns_theta_max         23.32
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    6.180
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.364399
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.747
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     677
_refine_ls_number_reflns         6929
_refine_ls_number_restraints     100
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0413
_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)+(0.0774P)²+3.1105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1189
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                5148
_reflns_number_total             6929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b711430c.txt
_cod_data_source_block           mcr148
_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_cell_volume        2411.0(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006261
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 0.49956(4) 0.21877(3) 0.44089(2) 0.05879(16) Uani 1 1 d . . .
C21 C 0.6442(9) 0.1754(7) 0.5096(6) 0.057(3) Uani 1 1 d . . .
C22 C 0.6300(10) 0.1384(8) 0.5739(6) 0.058(2) Uani 1 1 d . . .
C23 C 0.7241(11) 0.1015(8) 0.6162(6) 0.066(3) Uani 1 1 d . . .
H23 H 0.7104 0.0797 0.6589 0.079 Uiso 1 1 calc R . .
C24 C 0.8384(11) 0.0962(8) 0.5962(6) 0.066(3) Uani 1 1 d . A .
C25 C 0.8602(11) 0.1315(9) 0.5352(7) 0.080(3) Uani 1 1 d . . .
H25 H 0.9375 0.1298 0.5213 0.096 Uiso 1 1 calc R . .
C26 C 0.7653(12) 0.1701(10) 0.4941(7) 0.081(3) Uani 1 1 d . . .
C27 C 0.5123(12) 0.1438(11) 0.6008(6) 0.075(3) Uani 1 1 d . . .
F1 F 0.3947(6) 0.0933(5) 0.5523(4) 0.0774(17) Uani 1 1 d . . .
F2 F 0.5140(7) 0.2486(7) 0.6219(4) 0.112(3) Uani 1 1 d . . .
F3 F 0.5065(9) 0.1000(9) 0.6595(4) 0.131(3) Uani 1 1 d . . .
C28 C 0.9381(15) 0.0557(13) 0.6410(9) 0.086(4) Uani 1 1 d . . .
F4A F 1.024(5) 0.129(3) 0.688(3) 0.17(3) Uani 0.60(7) 1 d P A 1
F5A F 0.890(2) -0.030(4) 0.658(3) 0.16(3) Uani 0.60(7) 1 d P A 1
F6A F 1.018(7) 0.029(6) 0.600(3) 0.20(2) Uani 0.60(7) 1 d P A 1
F4B F 0.930(6) 0.057(6) 0.7124(19) 0.12(3) Uani 0.40(7) 1 d P A 2
F5B F 0.951(6) -0.033(4) 0.612(3) 0.13(3) Uani 0.40(7) 1 d P A 2
F6B F 1.066(3) 0.110(5) 0.656(4) 0.13(3) Uani 0.40(7) 1 d P A 2
C29 C 0.7939(19) 0.209(2) 0.4249(17) 0.160(10) Uani 1 1 d . . .
F7 F 0.9159(11) 0.2057(11) 0.4202(7) 0.184(6) Uani 1 1 d . . .
F8 F 0.7010(16) 0.1394(14) 0.3604(7) 0.186(6) Uani 1 1 d . . .
F9 F 0.7899(11) 0.3060(9) 0.4212(8) 0.184(6) Uani 1 1 d . . .
C1 C 0.3637(9) 0.2686(8) 0.3700(6) 0.058(2) Uani 1 1 d . . .
N1 N 0.3409(11) 0.2417(8) 0.2976(5) 0.077(3) Uani 1 1 d . . .
C16 C 0.3967(15) 0.1571(12) 0.2623(7) 0.096(4) Uani 1 1 d . . .
H16A H 0.4315 0.1194 0.2989 0.115 Uiso 1 1 calc R . .
H16B H 0.3252 0.1027 0.2229 0.115 Uiso 1 1 calc R . .
C17 C 0.5036(18) 0.2110(15) 0.2326(10) 0.132(6) Uani 1 1 d . . .
H17A H 0.4653 0.2322 0.1885 0.197 Uiso 1 1 calc R . .
H17B H 0.5523 0.1610 0.2211 0.197 Uiso 1 1 calc R . .
H17C H 0.5638 0.2754 0.2685 0.197 Uiso 1 1 calc R . .
C18 C 0.2493(16) 0.2794(12) 0.2461(7) 0.094(4) Uani 1 1 d . . .
H18A H 0.2697 0.2715 0.1989 0.113 Uiso 1 1 calc R . .
H18B H 0.2631 0.3570 0.2647 0.113 Uiso 1 1 calc R . .
C19 C 0.1035(19) 0.2154(14) 0.2348(9) 0.139(7) Uani 1 1 d . . .
H19A H 0.0909 0.1379 0.2201 0.209 Uiso 1 1 calc R . .
H19B H 0.0471 0.2377 0.1970 0.209 Uiso 1 1 calc R . .
H19C H 0.0799 0.2300 0.2802 0.209 Uiso 1 1 calc R . .
N2 N 0.3088(8) 0.3425(6) 0.3951(4) 0.058(2) Uani 1 1 d . . .
H2 H 0.2770 0.3792 0.3654 0.069 Uiso 1 1 calc R . .
C11 C 0.3006(9) 0.3631(8) 0.4686(5) 0.055(2) Uani 1 1 d . . .
C12 C 0.2596(10) 0.2778(9) 0.5018(6) 0.064(3) Uani 1 1 d . . .
H12 H 0.2397 0.2052 0.4768 0.077 Uiso 1 1 calc R . .
C13 C 0.2484(11) 0.3006(9) 0.5709(6) 0.067(3) Uani 1 1 d . . .
H13 H 0.2184 0.2421 0.5924 0.081 Uiso 1 1 calc R . .
N3 N 0.2784(9) 0.4037(9) 0.6103(5) 0.075(3) Uani 1 1 d . . .
C14 C 0.3212(12) 0.4869(9) 0.5797(6) 0.073(3) Uani 1 1 d . . .
H14 H 0.3448 0.5587 0.6070 0.087 Uiso 1 1 calc R . .
C15 C 0.3316(12) 0.4695(8) 0.5085(6) 0.067(3) Uani 1 1 d . . .
H15 H 0.3593 0.5290 0.4875 0.081 Uiso 1 1 calc R . .
Au2 Au 0.93603(4) 0.66931(4) 0.12661(2) 0.06236(17) Uani 1 1 d . . .
C41 C 1.0524(10) 0.6909(7) 0.0551(5) 0.054(2) Uani 1 1 d . . .
C42 C 1.1876(10) 0.7471(9) 0.0748(5) 0.061(3) Uani 1 1 d . . .
C43 C 1.2643(11) 0.7552(10) 0.0264(6) 0.076(3) Uani 1 1 d . . .
H43 H 1.3558 0.7935 0.0438 0.091 Uiso 1 1 calc R . .
C44 C 1.2085(13) 0.7078(11) -0.0479(7) 0.083(3) Uani 1 1 d . B .
C45 C 1.0755(13) 0.6525(10) -0.0720(6) 0.076(3) Uani 1 1 d . . .
H45 H 1.0352 0.6198 -0.1218 0.091 Uiso 1 1 calc R . .
C46 C 0.9986(10) 0.6447(9) -0.0214(6) 0.063(3) Uani 1 1 d . . .
C47 C 1.2621(13) 0.7990(12) 0.1542(7) 0.090(4) Uani 1 1 d . . .
F10 F 1.3849(8) 0.8694(8) 0.1636(4) 0.128(3) Uani 1 1 d . . .
F11 F 1.2779(8) 0.7253(7) 0.1960(4) 0.109(2) Uani 1 1 d . . .
F12 F 1.2007(8) 0.8627(7) 0.1878(4) 0.118(3) Uani 1 1 d . . .
C48 C 1.293(2) 0.714(3) -0.1016(12) 0.140(9) Uani 1 1 d . . .
F13A F 1.392(5) 0.804(4) -0.080(2) 0.17(2) Uani 0.62(6) 1 d P B 3
F14A F 1.339(7) 0.625(6) -0.102(4) 0.29(3) Uani 0.62(6) 1 d P B 3
F15A F 1.228(3) 0.704(5) -0.1656(10) 0.20(3) Uani 0.62(6) 1 d P B 3
F13B F 1.418(3) 0.746(5) -0.071(3) 0.119(19) Uani 0.38(6) 1 d P B 4
F14B F 1.271(10) 0.799(8) -0.139(6) 0.28(5) Uani 0.38(6) 1 d P B 4
F15B F 1.290(7) 0.623(5) -0.139(3) 0.16(3) Uani 0.38(6) 1 d P B 4
C49 C 0.8472(12) 0.5858(11) -0.0559(7) 0.081(3) Uani 1 1 d . . .
F16 F 0.8149(8) 0.5405(8) -0.1274(4) 0.120(3) Uani 1 1 d . . .
F17 F 0.7763(7) 0.6565(6) -0.0497(5) 0.106(2) Uani 1 1 d . . .
F18 F 0.7972(7) 0.5074(6) -0.0245(4) 0.093(2) Uani 1 1 d . . .
C2 C 0.8147(10) 0.6492(9) 0.1951(5) 0.060(3) Uani 1 1 d . C .
N4 N 0.7044(9) 0.6790(10) 0.1822(6) 0.090(3) Uani 1 1 d U . .
C36 C 0.6085(14) 0.6686(14) 0.2269(7) 0.110(5) Uani 1 1 d DU C .
H36A H 0.5589 0.7210 0.2195 0.131 Uiso 1 1 calc R . .
H36B H 0.6569 0.6850 0.2788 0.131 Uiso 1 1 calc R . .
C37 C 0.5105(16) 0.5515(19) 0.2043(10) 0.170(8) Uani 1 1 d DU . .
H37A H 0.4653 0.5345 0.1525 0.254 Uiso 1 1 calc R C .
H37B H 0.4454 0.5461 0.2320 0.254 Uiso 1 1 calc R . .
H37C H 0.5594 0.5002 0.2145 0.254 Uiso 1 1 calc R . .
C38A C 0.684(8) 0.746(9) 0.116(4) 0.120(14) Uani 0.32(4) 1 d PDU C 5
H38A H 0.6749 0.8178 0.1322 0.144 Uiso 0.32(4) 1 calc PR C 5
H38B H 0.7520 0.7510 0.0897 0.144 Uiso 0.32(4) 1 calc PR C 5
C39A C 0.550(7) 0.658(8) 0.074(4) 0.17(2) Uani 0.32(4) 1 d PDU C 5
H39A H 0.5525 0.5876 0.0826 0.256 Uiso 0.32(4) 1 calc PR C 5
H39B H 0.5338 0.6560 0.0217 0.256 Uiso 0.32(4) 1 calc PR C 5
H39C H 0.4781 0.6767 0.0901 0.256 Uiso 0.32(4) 1 calc PR C 5
C38B C 0.644(9) 0.673(8) 0.099(4) 0.124(15) Uani 0.29(4) 1 d PDU C 6
H38C H 0.6007 0.7307 0.0982 0.149 Uiso 0.29(4) 1 calc PR C 6
H38D H 0.7213 0.6987 0.0804 0.149 Uiso 0.29(4) 1 calc PR C 6
C39B C 0.546(8) 0.576(9) 0.037(5) 0.19(3) Uani 0.29(4) 1 d PDU C 6
H39D H 0.5901 0.5216 0.0279 0.292 Uiso 0.29(4) 1 d PR C 6
H39E H 0.5194 0.6009 -0.0076 0.292 Uiso 0.29(4) 1 d PR C 6
H39F H 0.4678 0.5446 0.0522 0.292 Uiso 0.29(4) 1 d PR C 6
C38C C 0.670(6) 0.735(4) 0.128(3) 0.108(10) Uani 0.41(3) 1 d PDU C 7
H38E H 0.5729 0.7077 0.1070 0.129 Uiso 0.41(3) 1 calc PR C 7
H38F H 0.7093 0.7156 0.0886 0.129 Uiso 0.41(3) 1 calc PR C 7
C39C C 0.710(4) 0.861(3) 0.149(2) 0.142(15) Uani 0.41(3) 1 d PDU C 7
H39G H 0.7221 0.8846 0.2009 0.213 Uiso 0.41(3) 1 calc PR C 7
H39H H 0.6404 0.8855 0.1216 0.213 Uiso 0.41(3) 1 calc PR C 7
H39I H 0.7928 0.8921 0.1375 0.213 Uiso 0.41(3) 1 calc PR C 7
N5 N 0.8389(8) 0.6086(7) 0.2557(4) 0.060(2) Uani 1 1 d . . .
H5 H 0.7823 0.6066 0.2815 0.072 Uiso 1 1 calc R C .
C31 C 0.9473(9) 0.5687(8) 0.2819(5) 0.052(2) Uani 1 1 d . C .
C32 C 1.0741(10) 0.6144(8) 0.2772(6) 0.062(3) Uani 1 1 d . . .
H32 H 1.0942 0.6758 0.2568 0.074 Uiso 1 1 calc R C .
C33 C 1.1731(11) 0.5672(9) 0.3037(6) 0.072(3) Uani 1 1 d . C .
H33 H 1.2590 0.5980 0.2993 0.086 Uiso 1 1 calc R . .
N6 N 1.1527(9) 0.4809(8) 0.3349(5) 0.074(2) Uani 1 1 d . . .
C34 C 1.0292(13) 0.4408(11) 0.3399(7) 0.090(4) Uani 1 1 d . C .
H34 H 1.0121 0.3811 0.3621 0.107 Uiso 1 1 calc R . .
C35 C 0.9260(11) 0.4790(10) 0.3155(7) 0.076(3) Uani 1 1 d . . .
H35 H 0.8415 0.4462 0.3209 0.091 Uiso 1 1 calc R C .
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
C21 Au1 C1 176.4(4) . . ?
C22 C21 C26 112.1(9) . . ?
C22 C21 Au1 124.2(7) . . ?
C26 C21 Au1 123.5(8) . . ?
C23 C22 C21 123.3(10) . . ?
C23 C22 C27 117.0(10) . . ?
C21 C22 C27 119.6(9) . . ?
C22 C23 C24 121.0(11) . . ?
C25 C24 C23 119.3(10) . . ?
C25 C24 C28 119.9(12) . . ?
C23 C24 C28 120.8(12) . . ?
C24 C25 C26 118.8(11) . . ?
C25 C26 C21 125.5(11) . . ?
C25 C26 C29 117.0(11) . . ?
C21 C26 C29 117.4(10) . . ?
F1 C27 F3 104.8(10) . . ?
F1 C27 F2 105.7(9) . . ?
F3 C27 F2 105.6(10) . . ?
F1 C27 C22 114.9(10) . . ?
F3 C27 C22 113.6(9) . . ?
F2 C27 C22 111.4(10) . . ?
F4A C28 F5A 119(3) . . ?
F4A C28 F5B 126(3) . . ?
F5A C28 F5B 59(2) . . ?
F4A C28 F6B 41(3) . . ?
F5A C28 F6B 127(2) . . ?
F5B C28 F6B 94(3) . . ?
F4A C28 F6A 98(3) . . ?
F5A C28 F6A 103(3) . . ?
F5B C28 F6A 46(3) . . ?
F6B C28 F6A 57(3) . . ?
F4A C28 F4B 65(2) . . ?
F5A C28 F4B 61(2) . . ?
F5B C28 F4B 112(3) . . ?
F6B C28 F4B 99(3) . . ?
F6A C28 F4B 137(2) . . ?
F4A C28 C24 112.0(17) . . ?
F5A C28 C24 114.2(16) . . ?
F5B C28 C24 116(2) . . ?
F6B C28 C24 119(2) . . ?
F6A C28 C24 109(2) . . ?
F4B C28 C24 114.4(15) . . ?
F9 C29 F7 106.7(15) . . ?
F9 C29 F8 105.6(17) . . ?
F7 C29 F8 107(2) . . ?
F9 C29 C26 116(2) . . ?
F7 C29 C26 110.5(14) . . ?
F8 C29 C26 111.1(16) . . ?
N1 C1 N2 116.1(9) . . ?
N1 C1 Au1 122.1(7) . . ?
N2 C1 Au1 121.1(7) . . ?
C1 N1 C18 123.4(9) . . ?
C1 N1 C16 121.0(9) . . ?
C18 N1 C16 115.2(9) . . ?
C17 C16 N1 110.0(12) . . ?
N1 C18 C19 112.1(11) . . ?
C1 N2 C11 122.7(8) . . ?
C12 C11 C15 118.3(9) . . ?
C12 C11 N2 120.9(9) . . ?
C15 C11 N2 120.9(9) . . ?
C13 C12 C11 119.2(10) . . ?
N3 C13 C12 123.1(10) . . ?
C14 N3 C13 118.4(9) . . ?
N3 C14 C15 121.5(10) . . ?
C14 C15 C11 119.5(10) . . ?
C2 Au2 C41 177.9(3) . . ?
C42 C41 C46 113.0(9) . . ?
C42 C41 Au2 125.4(7) . . ?
C46 C41 Au2 121.6(7) . . ?
C43 C42 C41 124.1(10) . . ?
C43 C42 C47 115.6(10) . . ?
C41 C42 C47 120.2(9) . . ?
C42 C43 C44 121.2(11) . . ?
C45 C44 C43 118.4(11) . . ?
C45 C44 C48 120.0(14) . . ?
C43 C44 C48 121.6(14) . . ?
C44 C45 C46 119.6(10) . . ?
C45 C46 C41 123.7(10) . . ?
C45 C46 C49 114.9(10) . . ?
C41 C46 C49 121.4(10) . . ?
F11 C47 F10 107.3(12) . . ?
F11 C47 F12 105.8(10) . . ?
F10 C47 F12 102.9(11) . . ?
F11 C47 C42 113.6(11) . . ?
F10 C47 C42 113.4(10) . . ?
F12 C47 C42 113.1(12) . . ?
F15A C48 F13B 131(3) . . ?
F15A C48 F15B 72(3) . . ?
F13B C48 F15B 95(5) . . ?
F15A C48 F13A 111(4) . . ?
F13B C48 F13A 41(3) . . ?
F15B C48 F13A 127(4) . . ?
F15A C48 F14A 105(4) . . ?
F13B C48 F14A 70(4) . . ?
F15B C48 F14A 34(4) . . ?
F13A C48 F14A 111(4) . . ?
F15A C48 F14B 52(4) . . ?
F13B C48 F14B 104(5) . . ?
F15B C48 F14B 119(5) . . ?
F13A C48 F14B 66(5) . . ?
F14A C48 F14B 146(4) . . ?
F15A C48 C44 113(2) . . ?
F13B C48 C44 114(3) . . ?
F15B C48 C44 116(3) . . ?
F13A C48 C44 111(3) . . ?
F14A C48 C44 106(3) . . ?
F14B C48 C44 107(3) . . ?
F18 C49 F16 106.3(11) . . ?
F18 C49 F17 105.3(11) . . ?
F16 C49 F17 106.1(10) . . ?
F18 C49 C46 113.9(9) . . ?
F16 C49 C46 113.6(11) . . ?
F17 C49 C46 110.9(10) . . ?
N4 C2 N5 114.8(9) . . ?
N4 C2 Au2 120.4(7) . . ?
N5 C2 Au2 124.8(7) . . ?
C2 N4 C38C 124(2) . . ?
C2 N4 C36 125.8(9) . . ?
C38C N4 C36 110(2) . . ?
C2 N4 C38B 113(4) . . ?
C38C N4 C38B 32(4) . . ?
C36 N4 C38B 116(3) . . ?
C2 N4 C38A 116(3) . . ?
C38C N4 C38A 8(5) . . ?
C36 N4 C38A 118(3) . . ?
C38B N4 C38A 32(3) . . ?
N4 C36 C37 109.8(13) . . ?
C39A C38A N4 91(5) . . ?
C39B C38B N4 130(7) . . ?
N4 C38C C39C 119(4) . . ?
C2 N5 C31 126.9(8) . . ?
C32 C31 C35 117.4(9) . . ?
C32 C31 N5 123.3(9) . . ?
C35 C31 N5 119.2(8) . . ?
C31 C32 C33 118.5(10) . . ?
N6 C33 C32 124.2(10) . . ?
C34 N6 C33 115.2(9) . . ?
N6 C34 C35 125.5(10) . . ?
C34 C35 C31 119.1(10) . . ?
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 C21 2.045(9) . ?
Au1 C1 2.053(10) . ?
C21 C22 1.405(14) . ?
C21 C26 1.410(14) . ?
C22 C23 1.376(14) . ?
C22 C27 1.479(16) . ?
C23 C24 1.378(15) . ?
C24 C25 1.355(16) . ?
C24 C28 1.468(16) . ?
C25 C26 1.383(15) . ?
C26 C29 1.54(2) . ?
C27 F1 1.314(12) . ?
C27 F3 1.331(13) . ?
C27 F2 1.345(14) . ?
C28 F4A 1.21(3) . ?
C28 F5A 1.21(2) . ?
C28 F5B 1.25(4) . ?
C28 F6B 1.31(4) . ?
C28 F6A 1.36(4) . ?
C28 F4B 1.38(3) . ?
C29 F9 1.28(2) . ?
C29 F7 1.341(16) . ?
C29 F8 1.40(3) . ?
C1 N1 1.321(13) . ?
C1 N2 1.329(11) . ?
N1 C18 1.455(15) . ?
N1 C16 1.517(15) . ?
C16 C17 1.453(19) . ?
C18 C19 1.51(2) . ?
N2 C11 1.413(12) . ?
C11 C12 1.372(14) . ?
C11 C15 1.378(13) . ?
C12 C13 1.344(15) . ?
C13 N3 1.341(13) . ?
N3 C14 1.323(14) . ?
C14 C15 1.376(15) . ?
Au2 C2 2.039(10) . ?
Au2 C41 2.048(10) . ?
C41 C42 1.373(13) . ?
C41 C46 1.411(13) . ?
C42 C43 1.366(15) . ?
C42 C47 1.498(16) . ?
C43 C44 1.377(16) . ?
C44 C45 1.350(16) . ?
C44 C48 1.51(2) . ?
C45 C46 1.400(15) . ?
C46 C49 1.536(16) . ?
C47 F11 1.347(16) . ?
C47 F10 1.344(13) . ?
C47 F12 1.353(15) . ?
C48 F15A 1.23(3) . ?
C48 F13B 1.26(5) . ?
C48 F15B 1.27(6) . ?
C48 F13A 1.29(4) . ?
C48 F14A 1.36(7) . ?
C48 F14B 1.43(5) . ?
C49 F18 1.308(14) . ?
C49 F16 1.324(14) . ?
C49 F17 1.339(14) . ?
C2 N4 1.319(12) . ?
C2 N5 1.339(11) . ?
N4 C38C 1.39(5) . ?
N4 C36 1.468(15) . ?
N4 C38B 1.56(7) . ?
N4 C38A 1.64(7) . ?
C36 C37 1.53(2) . ?
C38A C39A 1.53(3) . ?
C38B C39B 1.54(3) . ?
C38C C39C 1.53(3) . ?
N5 C31 1.410(11) . ?
C31 C32 1.361(13) . ?
C31 C35 1.397(13) . ?
C32 C33 1.392(14) . ?
C33 N6 1.331(13) . ?
N6 C34 1.320(14) . ?
C34 C35 1.342(15) . ?
