#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:35:21 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178572 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/82/4068231.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_4068231
loop_
_publ_author_name
'Sivaram, Haresh'
'Jothibasu, Ramasamy'
'Huynh, Han Vinh'
_publ_section_title
;
 Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene:
 Syntheses, Characterizations, and Ligand Disproportionation
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              1195
_journal_paper_doi               10.1021/om201268m
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C68 H76 Au6 Cl4 I6 N12'
_chemical_formula_weight         3146.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 97.8360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.7916(6)
_cell_length_b                   21.0283(9)
_cell_length_c                   13.8291(6)
_cell_measurement_reflns_used    5165
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.23
_cell_measurement_theta_min      2.18
_cell_volume                     3973.2(3)
_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      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            23408
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    13.549
_exptl_absorpt_correction_T_max  0.2373
_exptl_absorpt_correction_T_min  0.0932
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Gold
_exptl_crystal_density_diffrn    2.630
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.143
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         7207
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0400
_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)+(0.0216P)²+8.3157P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                5995
_reflns_number_total             7207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201268m_si_001.cif
_cod_data_source_block           '[Au3I2(Indy)4][Au3I4(Indy)2](3')'
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               4068231
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.63265(2) 0.597731(16) 0.11117(2) 0.03383(10) Uani 1 1 d . . .
Au2 Au 0.62699(3) 0.7500 0.11153(3) 0.03862(14) Uani 1 2 d S . .
Au3 Au 0.78223(3) 0.2500 0.47815(3) 0.02735(12) Uani 1 2 d S . .
Au4 Au 0.76909(3) 0.390773(17) 0.48690(3) 0.04113(11) Uani 1 1 d . . .
I1 I 0.75112(6) 0.7500 -0.01066(6) 0.0496(2) Uani 1 2 d S . .
I2 I 0.50223(6) 0.7500 0.23216(6) 0.0408(2) Uani 1 2 d S . .
I3 I 0.88840(5) 0.40001(3) 0.36042(4) 0.04752(17) Uani 1 1 d . . .
I4 I 0.65070(5) 0.40485(3) 0.61276(5) 0.05512(19) Uani 1 1 d . . .
C1 C 0.5242(6) 0.5917(4) -0.0038(6) 0.0302(19) Uani 1 1 d . . .
C2 C 0.5276(6) 0.5858(4) -0.1041(6) 0.0323(19) Uani 1 1 d . . .
C3 C 0.6075(7) 0.5865(4) -0.1578(7) 0.044(2) Uani 1 1 d . . .
H3 H 0.6718 0.5939 -0.1277 0.053 Uiso 1 1 calc R . .
C4 C 0.5863(8) 0.5759(5) -0.2571(7) 0.053(3) Uani 1 1 d . . .
H4 H 0.6380 0.5727 -0.2947 0.064 Uiso 1 1 calc R . .
C5 C 0.4886(8) 0.5698(5) -0.3036(7) 0.061(3) Uani 1 1 d . . .
H5 H 0.4768 0.5652 -0.3718 0.073 Uiso 1 1 calc R . .
C6 C 0.4130(8) 0.5704(5) -0.2529(7) 0.055(3) Uani 1 1 d . . .
H6 H 0.3486 0.5655 -0.2844 0.066 Uiso 1 1 calc R . .
C7 C 0.4323(7) 0.5783(4) -0.1512(6) 0.038(2) Uani 1 1 d . . .
C8 C 0.2648(12) 0.5779(14) -0.0976(13) 0.044(10) Uiso 0.50 1 d PD A 1
H8A H 0.2402 0.5507 -0.1531 0.053 Uiso 0.50 1 calc PR A 1
H8B H 0.2387 0.6209 -0.1101 0.053 Uiso 0.50 1 calc PR A 1
C9 C 0.2343(14) 0.5512(9) -0.0025(10) 0.041(5) Uiso 0.50 1 d PD A 1
H9A H 0.2585 0.5076 0.0082 0.049 Uiso 0.50 1 calc PR A 1
H9B H 0.1628 0.5506 -0.0069 0.049 Uiso 0.50 1 calc PR A 1
C10 C 0.2782(11) 0.5943(10) 0.0827(13) 0.042(5) Uiso 0.50 1 d PD A 1
H10A H 0.2657 0.6392 0.0663 0.050 Uiso 0.50 1 calc PR A 1
H10B H 0.2492 0.5844 0.1418 0.050 Uiso 0.50 1 calc PR A 1
C11 C 0.3870(11) 0.5813(15) 0.0988(13) 0.043(10) Uiso 0.50 1 d PD A 1
H11A H 0.4193 0.6113 0.1469 0.051 Uiso 0.50 1 calc PR A 1
H11B H 0.3987 0.5382 0.1248 0.051 Uiso 0.50 1 calc PR A 1
C8X C 0.2653(10) 0.5646(13) -0.0952(13) 0.026(7) Uiso 0.50 1 d PD A 2
H8X1 H 0.2561 0.5186 -0.1042 0.031 Uiso 0.50 1 calc PR A 2
H8X2 H 0.2335 0.5856 -0.1543 0.031 Uiso 0.50 1 calc PR A 2
C9X C 0.2155(14) 0.5856(11) -0.0093(12) 0.053(5) Uiso 0.50 1 d PD A 2
H9X1 H 0.2096 0.6321 -0.0084 0.064 Uiso 0.50 1 calc PR A 2
H9X2 H 0.1499 0.5671 -0.0136 0.064 Uiso 0.50 1 calc PR A 2
C10X C 0.2785(12) 0.5628(11) 0.0811(14) 0.057(6) Uiso 0.50 1 d PD A 2
H10C H 0.2858 0.5165 0.0774 0.068 Uiso 0.50 1 calc PR A 2
H10D H 0.2460 0.5724 0.1381 0.068 Uiso 0.50 1 calc PR A 2
C11X C 0.3801(14) 0.5934(14) 0.0946(13) 0.031(8) Uiso 0.50 1 d PD A 2
H11C H 0.3738 0.6386 0.1102 0.038 Uiso 0.50 1 calc PR A 2
H11D H 0.4207 0.5732 0.1497 0.038 Uiso 0.50 1 calc PR A 2
C12 C 0.7463(6) 0.5928(4) 0.2204(6) 0.035(2) Uani 1 1 d . . .
C13 C 0.8483(6) 0.5881(4) 0.2163(6) 0.034(2) Uani 1 1 d . . .
C14 C 0.9039(7) 0.5840(5) 0.1387(7) 0.048(2) Uani 1 1 d . . .
H14 H 0.8741 0.5859 0.0734 0.058 Uiso 1 1 calc R . .
C15 C 1.0022(8) 0.5774(5) 0.1613(8) 0.059(3) Uani 1 1 d . . .
H15 H 1.0407 0.5743 0.1103 0.071 Uiso 1 1 calc R . .
C16 C 1.0485(7) 0.5749(5) 0.2582(8) 0.052(3) Uani 1 1 d . . .
H16 H 1.1168 0.5699 0.2698 0.062 Uiso 1 1 calc R . .
C17 C 0.9987(6) 0.5794(4) 0.3349(7) 0.044(2) Uani 1 1 d . . .
H17 H 1.0302 0.5782 0.3996 0.053 Uiso 1 1 calc R . .
C18 C 0.8959(6) 0.5860(4) 0.3124(7) 0.037(2) Uani 1 1 d . . .
C19 C 0.8386(7) 0.5724(4) 0.4783(6) 0.042(2) Uani 1 1 d . . .
H19A H 0.8934 0.5962 0.5138 0.051 Uiso 1 1 calc R . .
H19B H 0.8538 0.5270 0.4849 0.051 Uiso 1 1 calc R . .
C20 C 0.7477(7) 0.5862(5) 0.5218(6) 0.051(3) Uani 1 1 d . . .
H20A H 0.7440 0.6319 0.5341 0.061 Uiso 1 1 calc R . .
H20B H 0.7510 0.5642 0.5847 0.061 Uiso 1 1 calc R . .
C21 C 0.6573(7) 0.5657(4) 0.4574(6) 0.045(2) Uani 1 1 d . . .
H21A H 0.6595 0.5196 0.4471 0.054 Uiso 1 1 calc R . .
H21B H 0.5999 0.5751 0.4896 0.054 Uiso 1 1 calc R . .
C22 C 0.6473(7) 0.5986(4) 0.3613(7) 0.045(2) Uani 1 1 d . . .
H22A H 0.5918 0.5806 0.3182 0.055 Uiso 1 1 calc R . .
H22B H 0.6343 0.6438 0.3704 0.055 Uiso 1 1 calc R . .
C23 C 0.6728(8) 0.2500 0.3645(8) 0.030(3) Uani 1 2 d S . .
C24 C 0.6762(8) 0.2500 0.2621(8) 0.026(2) Uani 1 2 d S . .
C25 C 0.7542(8) 0.2500 0.2075(8) 0.034(3) Uani 1 2 d S . .
H25 H 0.8193 0.2500 0.2384 0.041 Uiso 1 2 calc SR . .
C26 C 0.7338(10) 0.2500 0.1085(8) 0.042(3) Uani 1 2 d S . .
H26 H 0.7855 0.2500 0.0706 0.050 Uiso 1 2 calc SR . .
C27 C 0.6348(10) 0.2500 0.0610(9) 0.045(3) Uani 1 2 d S . .
H27 H 0.6232 0.2500 -0.0076 0.054 Uiso 1 2 calc SR . .
C28 C 0.5581(9) 0.2500 0.1112(9) 0.041(3) Uani 1 2 d S . .
H28 H 0.4934 0.2500 0.0793 0.049 Uiso 1 2 calc SR . .
C29 C 0.5787(9) 0.2500 0.2130(9) 0.039(3) Uani 1 2 d S . .
C30 C 0.4142(8) 0.2409(11) 0.2707(8) 0.029(4) Uiso 0.50 1 d PD . -1
H30A H 0.3992 0.1957 0.2589 0.035 Uiso 0.50 1 calc PR . -1
H30B H 0.3841 0.2649 0.2136 0.035 Uiso 0.50 1 calc PR . -1
C31 C 0.3713(10) 0.2626(10) 0.3597(9) 0.045(5) Uiso 0.50 1 d PD . -1
H31A H 0.3029 0.2489 0.3556 0.053 Uiso 1 2 calc SR . -1
H31B H 0.3734 0.3091 0.3644 0.053 Uiso 0.50 1 calc PR . -1
C32 C 0.4322(10) 0.2329(7) 0.4493(11) 0.039(5) Uiso 0.50 1 d PD . -1
H32A H 0.4010 0.2414 0.5075 0.047 Uiso 0.50 1 calc PR . -1
H32B H 0.4357 0.1868 0.4407 0.047 Uiso 0.50 1 calc PR . -1
C33 C 0.5340(8) 0.2605(10) 0.4625(9) 0.035(4) Uiso 0.50 1 d PD . -1
H33A H 0.5311 0.3062 0.4759 0.042 Uiso 0.50 1 calc PR . -1
H33B H 0.5738 0.2401 0.5179 0.042 Uiso 0.50 1 calc PR . -1
C34 C 0.8964(8) 0.2500 0.5880(8) 0.028(3) Uani 1 2 d S . .
C35 C 0.9989(8) 0.2500 0.5837(8) 0.030(3) Uani 1 2 d S . .
C36 C 1.0539(9) 0.2500 0.5042(9) 0.037(3) Uani 1 2 d S . .
H36 H 1.0233 0.2500 0.4391 0.045 Uiso 1 2 calc SR . .
C37 C 1.1537(9) 0.2500 0.5265(10) 0.042(3) Uani 1 2 d S . .
H37 H 1.1925 0.2500 0.4756 0.050 Uiso 1 2 calc SR . .
C38 C 1.2002(9) 0.2500 0.6254(10) 0.041(3) Uani 1 2 d S . .
H38 H 1.2690 0.2500 0.6376 0.049 Uiso 1 2 calc SR . .
C39 C 1.1497(8) 0.2500 0.7010(9) 0.040(3) Uani 1 2 d S . .
H39 H 1.1813 0.2500 0.7657 0.048 Uiso 1 2 calc SR . .
C40 C 1.0473(9) 0.2500 0.6799(9) 0.036(3) Uani 1 2 d S . .
C41 C 0.9890(8) 0.2399(9) 0.8472(7) 0.026(4) Uiso 0.50 1 d PD . -1
H41A H 1.0467 0.2629 0.8785 0.031 Uiso 0.50 1 calc PR . -1
H41B H 0.9987 0.1945 0.8616 0.031 Uiso 0.50 1 calc PR . -1
C42 C 0.8981(8) 0.2633(7) 0.8881(9) 0.031(4) Uiso 0.50 1 d PD . -1
H42A H 0.8926 0.3096 0.8823 0.037 Uiso 0.50 1 calc PR . -1
H42B H 0.9016 0.2517 0.9572 0.037 Uiso 1 2 calc SR . -1
C43 C 0.8101(11) 0.2311(7) 0.8283(10) 0.040(5) Uiso 0.50 1 d PD . -1
H43A H 0.8215 0.1852 0.8244 0.048 Uiso 0.50 1 calc PR . -1
H43B H 0.7511 0.2379 0.8592 0.048 Uiso 0.50 1 calc PR . -1
C44 C 0.7972(9) 0.2600(11) 0.7274(8) 0.035(4) Uiso 0.50 1 d PD . -1
H44A H 0.7415 0.2400 0.6870 0.042 Uiso 0.50 1 calc PR . -1
H44B H 0.7838 0.3056 0.7315 0.042 Uiso 0.50 1 calc PR . -1
N1 N 0.4294(5) 0.5875(3) 0.0061(5) 0.0366(17) Uani 1 1 d D . .
N2 N 0.3723(5) 0.5790(4) -0.0833(5) 0.045(2) Uani 1 1 d D A .
N3 N 0.7380(5) 0.5914(3) 0.3152(5) 0.0341(17) Uani 1 1 d . . .
N4 N 0.8271(5) 0.5903(3) 0.3743(5) 0.0370(18) Uani 1 1 d . . .
N5 N 0.5781(7) 0.2500 0.3733(6) 0.034(2) Uani 1 2 d SDU . .
N6 N 0.5205(6) 0.2500 0.2826(7) 0.046(3) Uani 1 2 d SDU . .
N7 N 0.8877(6) 0.2500 0.6822(6) 0.032(2) Uani 1 2 d SD . .
N8 N 0.9783(7) 0.2500 0.7397(6) 0.042(3) Uani 1 2 d SD . .
C1S C 0.907(2) 0.6558(12) 0.804(2) 0.126(9) Uiso 0.50 1 d PD B 1
H1S1 H 0.8537 0.6844 0.8155 0.151 Uiso 0.50 1 calc PR B 1
H1S2 H 0.9256 0.6649 0.7397 0.151 Uiso 0.50 1 calc PR B 1
Cl1 Cl 0.8712(12) 0.5778(8) 0.8110(13) 0.180(6) Uani 0.50 1 d PD B 1
Cl2 Cl 1.0066(7) 0.6663(6) 0.8938(7) 0.148(4) Uani 0.50 1 d PD B 1
C2S C 0.949(3) 0.6607(12) 0.841(2) 0.126(9) Uiso 0.50 1 d PD C 2
H2S1 H 1.0141 0.6688 0.8227 0.151 Uiso 0.50 1 calc PR C 2
H2S2 H 0.9392 0.6886 0.8956 0.151 Uiso 0.50 1 calc PR C 2
Cl3 Cl 0.9369(17) 0.5819(9) 0.8720(12) 0.226(9) Uani 0.50 1 d PD C 2
Cl4 Cl 0.8578(8) 0.6739(6) 0.7412(6) 0.160(5) Uani 0.50 1 d PD C 2
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'
I I -0.4742 1.8119 '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'
Cl Cl 0.1484 0.1585 '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
C12 Au1 C1 172.7(3) . .
C12 Au1 Au2 93.8(2) . .
C1 Au1 Au2 92.7(2) . .
I2 Au2 I1 179.55(3) . .
I2 Au2 Au1 91.131(11) . 4_575
I1 Au2 Au1 88.875(11) . 4_575
I2 Au2 Au1 91.131(11) . .
I1 Au2 Au1 88.875(11) . .
Au1 Au2 Au1 177.18(2) 4_575 .
C23 Au3 C34 177.5(5) . .
C23 Au3 Au4 89.34(3) . .
C34 Au3 Au4 90.85(3) . .
C23 Au3 Au4 89.34(3) . 4_565
C34 Au3 Au4 90.85(3) . 4_565
Au4 Au3 Au4 171.07(2) . 4_565
I4 Au4 I3 169.02(3) . .
I4 Au4 Au3 101.01(2) . .
I3 Au4 Au3 89.96(2) . .
N1 C1 C2 105.1(7) . .
N1 C1 Au1 123.4(6) . .
C2 C1 Au1 131.3(6) . .
C7 C2 C1 108.4(8) . .
C7 C2 C3 120.7(8) . .
C1 C2 C3 130.9(8) . .
C4 C3 C2 116.6(9) . .
C3 C4 C5 121.6(10) . .
C6 C5 C4 121.6(9) . .
C5 C6 C7 118.2(9) . .
N2 C7 C2 107.8(7) . .
N2 C7 C6 131.0(9) . .
C2 C7 C6 121.2(9) . .
N2 C8 C9 106.2(14) . .
C8 C9 C10 108.3(15) . .
C11 C10 C9 106.5(15) . .
N1 C11 C10 110.9(14) . .
N2 C8X C9X 113.6(14) . .
C10X C9X C8X 106.6(17) . .
C9X C10X C11X 112.5(18) . .
N1 C11X C10X 112.2(15) . .
N3 C12 C13 104.9(7) . .
N3 C12 Au1 125.0(7) . .
C13 C12 Au1 130.1(6) . .
C18 C13 C14 119.3(8) . .
C18 C13 C12 107.6(8) . .
C14 C13 C12 133.1(8) . .
C15 C14 C13 117.6(9) . .
C14 C15 C16 122.3(10) . .
C17 C16 C15 122.5(9) . .
C16 C17 C18 115.9(9) . .
N4 C18 C13 108.5(7) . .
N4 C18 C17 129.0(8) . .
C13 C18 C17 122.5(9) . .
N4 C19 C20 111.1(7) . .
C19 C20 C21 112.5(8) . .
C22 C21 C20 111.5(8) . .
N3 C22 C21 110.8(7) . .
N5 C23 C24 104.9(9) . .
N5 C23 Au3 124.6(8) . .
C24 C23 Au3 130.5(8) . .
C25 C24 C29 119.3(10) . .
C25 C24 C23 132.1(10) . .
C29 C24 C23 108.6(10) . .
C26 C25 C24 118.4(11) . .
C25 C26 C27 121.0(12) . .
C28 C27 C26 122.2(11) . .
C27 C28 C29 117.1(11) . .
N6 C29 C28 131.9(12) . .
N6 C29 C24 106.1(10) . .
C28 C29 C24 122.0(12) . .
N6 C30 C31 111.5(11) . .
C30 C31 C32 107.7(13) . .
C33 C32 C31 109.9(12) . .
N5 C33 C32 109.0(11) . .
N7 C34 C35 105.3(9) . .
N7 C34 Au3 124.8(8) . .
C35 C34 Au3 129.9(8) . .
C40 C35 C36 119.9(11) . .
C40 C35 C34 107.9(10) . .
C36 C35 C34 132.2(10) . .
C37 C36 C35 116.9(11) . .
C36 C37 C38 121.5(12) . .
C39 C38 C37 122.4(11) . .
C38 C39 C40 117.1(11) . .
N8 C40 C39 130.5(11) . .
N8 C40 C35 107.4(10) . .
C39 C40 C35 122.1(11) . .
N8 C41 C42 110.5(10) . .
C41 C42 C43 106.7(12) . .
C44 C43 C42 107.9(12) . .
N7 C44 C43 109.4(12) . .
C1 N1 N2 111.3(7) . .
C1 N1 C11X 130.0(10) . .
N2 N1 C11X 118.6(10) . .
C1 N1 C11 126.8(9) . .
N2 N1 C11 121.1(9) . .
C11X N1 C11 10.7(19) . .
C7 N2 N1 107.4(7) . .
C7 N2 C8 128.0(9) . .
N1 N2 C8 124.3(10) . .
C7 N2 C8X 128.2(9) . .
N1 N2 C8X 123.9(9) . .
C8 N2 C8X 10.9(18) . .
C12 N3 N4 113.2(7) . .
C12 N3 C22 127.6(7) . .
N4 N3 C22 118.7(7) . .
C18 N4 N3 105.6(6) . .
C18 N4 C19 127.1(7) . .
N3 N4 C19 123.4(7) . .
C23 N5 N6 111.5(9) . .
C23 N5 C33 127.1(9) . .
N6 N5 C33 120.5(9) . .
C23 N5 C33 127.1(9) . 4_565
N6 N5 C33 120.5(9) . 4_565
C33 N5 C33 17.4(17) . 4_565
C29 N6 N5 108.9(9) . .
C29 N6 C30 127.5(9) . .
N5 N6 C30 122.8(9) . .
C29 N6 C30 127.5(9) . 4_565
N5 N6 C30 122.8(9) . 4_565
C30 N6 C30 15.1(18) . 4_565
C34 N7 N8 111.7(9) . .
C34 N7 C44 127.4(9) . .
N8 N7 C44 120.1(9) . .
C34 N7 C44 127.4(9) . 4_565
N8 N7 C44 120.1(9) . 4_565
C44 N7 C44 16.2(17) . 4_565
C40 N8 N7 107.7(9) . .
C40 N8 C41 129.2(9) . 4_565
N7 N8 C41 122.2(9) . 4_565
C40 N8 C41 129.2(9) . .
N7 N8 C41 122.2(9) . .
C41 N8 C41 16.5(15) 4_565 .
Cl1 C1S Cl2 106.8(14) . .
Cl3 C2S Cl4 105.3(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C12 2.026(8) .
Au1 C1 2.033(8) .
Au1 Au2 3.2029(4) .
Au2 I2 2.5547(10) .
Au2 I1 2.5642(10) .
Au2 Au1 3.2029(4) 4_575
Au3 C23 2.025(10) .
Au3 C34 2.033(10) .
Au3 Au4 2.9692(4) .
Au3 Au4 2.9692(4) 4_565
Au4 I4 2.5609(8) .
Au4 I3 2.5670(8) .
C1 N1 1.337(10) .
C1 C2 1.400(11) .
C2 C7 1.395(12) .
C2 C3 1.410(12) .
C3 C4 1.382(13) .
C4 C5 1.418(14) .
C5 C6 1.333(14) .
C6 C7 1.405(12) .
C7 N2 1.334(11) .
C8 N2 1.469(16) .
C8 C9 1.540(17) .
C9 C10 1.544(16) .
C10 C11 1.511(17) .
C11 N1 1.485(16) .
C8X N2 1.493(15) .
C8X C9X 1.52(3) .
C9X C10X 1.501(16) .
C10X C11X 1.53(3) .
C11X N1 1.484(15) .
C12 N3 1.332(10) .
C12 C13 1.419(12) .
C13 C18 1.401(12) .
C13 C14 1.404(12) .
C14 C15 1.356(13) .
C15 C16 1.405(13) .
C16 C17 1.343(13) .
C17 C18 1.417(12) .
C18 N4 1.365(11) .
C19 N4 1.474(10) .
C19 C20 1.490(13) .
C20 C21 1.494(12) .
C21 C22 1.487(12) .
C22 N3 1.487(11) .
C23 N5 1.328(14) .
C23 C24 1.424(15) .
C24 C25 1.397(15) .
C24 C29 1.422(16) .
C25 C26 1.360(15) .
C26 C27 1.432(17) .
C27 C28 1.341(18) .
C28 C29 1.398(16) .
C29 N6 1.335(15) .
C30 N6 1.465(12) .
C30 C31 1.508(14) .
C31 C32 1.532(14) .
C32 C33 1.507(14) .
C33 N5 1.465(12) .
C34 N7 1.324(13) .
C34 C35 1.423(16) .
C35 C40 1.404(15) .
C35 C36 1.419(16) .
C36 C37 1.368(16) .
C37 C38 1.430(17) .
C38 C39 1.333(17) .
C39 C40 1.403(16) .
C40 N8 1.343(15) .
C41 N8 1.489(12) .
C41 C42 1.526(13) .
C42 C43 1.530(14) .
C43 C44 1.510(14) .
C44 N7 1.485(12) .
N1 N2 1.384(9) .
N3 N4 1.380(9) .
N5 N6 1.390(12) .
N5 C33 1.465(12) 4_565
N6 C30 1.465(12) 4_565
N7 N8 1.386(12) .
N7 C44 1.485(12) 4_565
N8 C41 1.489(12) 4_565
C1S Cl1 1.720(18) .
C1S Cl2 1.733(18) .
C2S Cl3 1.727(18) .
C2S Cl4 1.757(19) .
