#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316482.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_4316482
loop_
_publ_author_name
'Maria José Calhorda'
'Carmen Ceamanos'
'Olga Crespo'
'M. Concepción Gimeno'
'Antonio Laguna'
'Carmen Larraz'
'Pedro D. Vaz'
'M. Dolores Villacampa'
_publ_section_title
;
 Heteropolynuclear Gold Complexes with Metallophilic Interactions:
 Modulation of the Luminescent Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8255
_journal_page_last               8269
_journal_paper_doi               10.1021/ic100413x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C24.5 H25.5 Au Cl3 Ir N2 P'
_chemical_formula_weight         874.46
_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                 114.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.090(4)
_cell_length_b                   17.031(3)
_cell_length_c                   17.584(4)
_cell_measurement_reflns_used    3476
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      2.5
_cell_volume                     4940(2)
_computing_cell_refinement       'Crysalis RED'
_computing_data_collection       'Crysalis CCD'
_computing_data_reduction        'Crysalis RED'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.06
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Xcalibur Oxford Diffraction'
_diffrn_measurement_method       'ω rotatations'
_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  0.0829
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            56190
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.62
_exptl_absorpt_coefficient_mu    11.721
_exptl_absorpt_correction_T_max  0.4540
_exptl_absorpt_correction_T_min  0.1653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3268
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.880
_refine_diff_density_min         -3.408
_refine_diff_density_rms         0.276
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0747P)²+80.1851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1399
_reflns_number_gt                7088
_reflns_number_total             8624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100413x_si_007.cif
_cod_data_source_block           c91
_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.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4940.2(17)
_cod_original_formula_sum        'C24.50 H25.50 Au Cl3 Ir N2 P'
_cod_database_code               4316482
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 0.94501(3) 0.15679(3) 0.66152(3) 0.02471(14) Uani 1 1 d . . .
Ir1 Ir 0.76389(3) 0.14567(3) 0.61563(3) 0.03201(16) Uani 1 1 d . . .
P1 P 0.95100(18) 0.1353(2) 0.78821(19) 0.0225(7) Uani 1 1 d . . .
Cl1 Cl 0.9630(2) 0.1750(2) 0.5402(2) 0.0349(8) Uani 1 1 d . . .
Cl2 Cl 0.7865(2) 0.2815(2) 0.6097(2) 0.0397(8) Uani 1 1 d . . .
C1 C 0.9742(7) 0.0342(8) 0.8223(8) 0.028(3) Uani 1 1 d . . .
C2 C 0.9529(7) 0.0040(8) 0.8824(8) 0.027(3) Uani 1 1 d . . .
H2 H 0.9219 0.0340 0.9045 0.033 Uiso 1 1 calc R . .
C3 C 0.9774(8) -0.0706(9) 0.9100(8) 0.035(3) Uani 1 1 d . . .
H3 H 0.9629 -0.0925 0.9517 0.042 Uiso 1 1 calc R . .
C4 C 1.0228(8) -0.1154(8) 0.8786(9) 0.033(3) Uani 1 1 d . . .
H4 H 1.0394 -0.1669 0.8995 0.040 Uiso 1 1 calc R . .
C5 C 1.0433(8) -0.0866(9) 0.8193(10) 0.039(4) Uani 1 1 d . . .
H5 H 1.0742 -0.1172 0.7978 0.047 Uiso 1 1 calc R . .
C6 C 1.0185(8) -0.0106(9) 0.7895(9) 0.036(3) Uani 1 1 d . . .
H6 H 1.0319 0.0104 0.7467 0.043 Uiso 1 1 calc R . .
C11 C 1.0294(7) 0.1922(8) 0.8676(8) 0.027(3) Uani 1 1 d . . .
C12 C 1.0180(7) 0.2701(7) 0.8631(8) 0.025(3) Uani 1 1 d . . .
H12 H 0.9704 0.2922 0.8213 0.030 Uiso 1 1 calc R . .
C13 C 1.0755(9) 0.3171(10) 0.9191(10) 0.045(4) Uani 1 1 d . . .
H13 H 1.0676 0.3724 0.9160 0.054 Uiso 1 1 calc R . .
C14 C 1.1453(8) 0.2863(10) 0.9804(10) 0.040(4) Uani 1 1 d . . .
H14 H 1.1842 0.3201 1.0195 0.049 Uiso 1 1 calc R . .
C15 C 1.1578(8) 0.2073(11) 0.9844(9) 0.040(4) Uani 1 1 d . . .
H15 H 1.2062 0.1863 1.0259 0.048 Uiso 1 1 calc R . .
N2 N 1.0995(7) 0.1559(9) 0.9274(8) 0.046(3) Uani 1 1 d . . .
C21 C 0.8611(7) 0.1606(8) 0.8071(8) 0.026(3) Uani 1 1 d . . .
C22 C 0.8702(8) 0.1757(9) 0.8869(8) 0.034(3) Uani 1 1 d . . .
H22 H 0.9221 0.1742 0.9322 0.041 Uiso 1 1 calc R . .
C23 C 0.8006(8) 0.1933(9) 0.8999(9) 0.035(3) Uani 1 1 d . . .
H23 H 0.8050 0.2037 0.9547 0.042 Uiso 1 1 calc R . .
C24 C 0.7279(9) 0.1956(10) 0.8353(10) 0.045(4) Uani 1 1 d . . .
H24 H 0.6807 0.2072 0.8441 0.053 Uiso 1 1 calc R . .
C25 C 0.7220(9) 0.1808(10) 0.7551(10) 0.042(4) Uani 1 1 d . . .
H25 H 0.6708 0.1849 0.7091 0.050 Uiso 1 1 calc R . .
N1 N 0.7883(6) 0.1607(7) 0.7415(6) 0.025(2) Uani 1 1 d . . .
C30 C 0.7589(10) 0.1229(10) 0.4958(9) 0.042(4) Uani 1 1 d . . .
H30 H 0.8000 0.1619 0.5110 0.050 Uiso 1 1 calc R . .
C31 C 0.7831(11) 0.0370(10) 0.4857(10) 0.050(4) Uani 1 1 d . . .
H31A H 0.7369 0.0102 0.4414 0.060 Uiso 1 1 calc R . .
H31B H 0.8291 0.0374 0.4690 0.060 Uiso 1 1 calc R . .
C32 C 0.8070(13) -0.0072(9) 0.5676(11) 0.059(5) Uani 1 1 d . . .
H32 H 0.8382 -0.0539 0.5776 0.071 Uiso 1 1 calc R . .
C33 C 0.7826(10) 0.0216(9) 0.6272(12) 0.051(4) Uani 1 1 d . . .
H33 H 0.8232 0.0297 0.6819 0.061 Uiso 1 1 calc R . .
C34 C 0.7050(10) 0.0391(10) 0.6133(11) 0.051(4) Uani 1 1 d . . .
H34 H 0.6931 0.0626 0.6559 0.061 Uiso 1 1 calc R . .
C35 C 0.6353(12) 0.0203(13) 0.5267(11) 0.063(5) Uani 1 1 d . . .
H35A H 0.6529 -0.0220 0.4992 0.076 Uiso 1 1 calc R . .
H35B H 0.5872 0.0014 0.5347 0.076 Uiso 1 1 calc R . .
C36 C 0.6125(9) 0.0931(12) 0.4709(10) 0.054(5) Uani 1 1 d . . .
H36A H 0.5721 0.1241 0.4826 0.065 Uiso 1 1 calc R . .
H36B H 0.5872 0.0764 0.4118 0.065 Uiso 1 1 calc R . .
C37 C 0.6860(8) 0.1448(9) 0.4847(9) 0.040(4) Uani 1 1 d . . .
H37 H 0.6775 0.1998 0.4852 0.047 Uiso 1 1 calc R . .
Au2 Au 0.43597(3) 0.10271(3) 0.85030(3) 0.02460(14) Uani 1 1 d . . .
Ir2 Ir 0.27761(3) 0.18554(3) 0.74557(3) 0.02354(14) Uani 1 1 d . . .
P2 P 0.34907(18) 0.0083(2) 0.8444(2) 0.0237(7) Uani 1 1 d . . .
Cl3 Cl 0.54478(18) 0.1844(2) 0.8755(2) 0.0349(8) Uani 1 1 d . . .
Cl4 Cl 0.33438(18) 0.1516(2) 0.6502(2) 0.0288(7) Uani 1 1 d . . .
C41 C 0.3939(7) -0.0868(8) 0.8410(9) 0.030(3) Uani 1 1 d . . .
C42 C 0.4092(8) -0.0970(9) 0.7731(9) 0.032(3) Uani 1 1 d . . .
H42 H 0.3916 -0.0594 0.7293 0.038 Uiso 1 1 calc R . .
C43 C 0.4505(10) -0.1622(11) 0.7683(11) 0.050(4) Uani 1 1 d . . .
H43 H 0.4612 -0.1698 0.7202 0.059 Uiso 1 1 calc R . .
C44 C 0.4766(9) -0.2162(10) 0.8294(11) 0.048(4) Uani 1 1 d . . .
H44 H 0.5059 -0.2609 0.8249 0.058 Uiso 1 1 calc R . .
C45 C 0.4597(9) -0.2055(10) 0.9004(10) 0.044(4) Uani 1 1 d . . .
H45 H 0.4788 -0.2426 0.9446 0.053 Uiso 1 1 calc R . .
C46 C 0.4147(8) -0.1403(9) 0.9057(10) 0.042(4) Uani 1 1 d . . .
H46 H 0.3994 -0.1333 0.9509 0.050 Uiso 1 1 calc R . .
C51 C 0.3256(8) 0.0077(8) 0.9355(8) 0.027(3) Uani 1 1 d . . .
C52 C 0.2531(7) -0.0212(8) 0.9298(8) 0.024(3) Uani 1 1 d . . .
H52 H 0.2148 -0.0417 0.8785 0.029 Uiso 1 1 calc R . .
C53 C 0.2370(8) -0.0201(9) 0.9978(10) 0.038(3) Uani 1 1 d . . .
H53 H 0.1870 -0.0407 0.9942 0.046 Uiso 1 1 calc R . .
C54 C 0.2930(9) 0.0112(9) 1.0750(9) 0.041(4) Uani 1 1 d . . .
H54 H 0.2803 0.0125 1.1223 0.049 Uiso 1 1 calc R . .
C55 C 0.3655(9) 0.0393(10) 1.0797(9) 0.041(4) Uani 1 1 d . . .
H55 H 0.4043 0.0595 1.1309 0.050 Uiso 1 1 calc R . .
N4 N 0.3826(7) 0.0382(8) 1.0084(8) 0.046(3) Uani 1 1 d . . .
C61 C 0.2501(7) 0.0054(8) 0.7555(8) 0.024(3) Uani 1 1 d . . .
C62 C 0.2096(7) -0.0650(9) 0.7305(8) 0.032(3) Uani 1 1 d . . .
H62 H 0.2338 -0.1127 0.7572 0.038 Uiso 1 1 calc R . .
C63 C 0.1327(8) -0.0649(9) 0.6654(8) 0.034(3) Uani 1 1 d . . .
H63 H 0.1036 -0.1125 0.6461 0.041 Uiso 1 1 calc R . .
C64 C 0.0989(7) 0.0074(9) 0.6288(8) 0.030(3) Uani 1 1 d . . .
H64 H 0.0457 0.0095 0.5858 0.036 Uiso 1 1 calc R . .
C65 C 0.1433(8) 0.0746(9) 0.6558(8) 0.031(3) Uani 1 1 d . . .
H65 H 0.1204 0.1227 0.6292 0.038 Uiso 1 1 calc R . .
N3 N 0.2185(6) 0.0760(6) 0.7189(6) 0.024(2) Uani 1 1 d . . .
C70 C 0.1930(8) 0.2325(8) 0.7889(9) 0.030(3) Uani 1 1 d . . .
H70 H 0.1538 0.1980 0.7511 0.036 Uiso 1 1 calc R . .
C71 C 0.1804(9) 0.3201(9) 0.7753(10) 0.038(3) Uani 1 1 d . . .
H71A H 0.2066 0.3474 0.8295 0.045 Uiso 1 1 calc R . .
H71B H 0.1217 0.3318 0.7523 0.045 Uiso 1 1 calc R . .
C72 C 0.2155(9) 0.3509(8) 0.7159(9) 0.035(3) Uani 1 1 d . . .
H72A H 0.1734 0.3480 0.6581 0.041 Uiso 1 1 calc R . .
H72B H 0.2303 0.4068 0.7288 0.041 Uiso 1 1 calc R . .
C73 C 0.2886(7) 0.3062(8) 0.7210(8) 0.028(3) Uani 1 1 d . . .
H73 H 0.2912 0.2902 0.6704 0.033 Uiso 1 1 calc R . .
C74 C 0.3547(8) 0.2863(8) 0.7974(9) 0.031(3) Uani 1 1 d . . .
H74 H 0.3979 0.2568 0.7941 0.038 Uiso 1 1 calc R . .
C76 C 0.3271(8) 0.2452(8) 0.9206(8) 0.031(3) Uani 1 1 d . . .
H76A H 0.3710 0.2089 0.9543 0.037 Uiso 1 1 calc R . .
H76B H 0.3062 0.2709 0.9583 0.037 Uiso 1 1 calc R . .
C75 C 0.3612(8) 0.3079(8) 0.8813(9) 0.031(3) Uani 1 1 d . . .
H75A H 0.3319 0.3578 0.8774 0.037 Uiso 1 1 calc R . .
H75B H 0.4190 0.3168 0.9182 0.037 Uiso 1 1 calc R . .
C77 C 0.2604(8) 0.1998(8) 0.8556(8) 0.029(3) Uani 1 1 d . . .
H77 H 0.2636 0.1441 0.8594 0.034 Uiso 1 1 calc R . .
C80 C 0.4808(13) 0.5473(12) 0.8033(13) 0.068(6) Uani 1 1 d . . .
H80A H 0.4522 0.5811 0.7541 0.081 Uiso 1 1 calc R . .
H80B H 0.5349 0.5346 0.8050 0.081 Uiso 1 1 calc R . .
Cl5 Cl 0.4924(4) 0.5980(3) 0.8938(4) 0.0838(17) Uani 1 1 d . . .
Cl6 Cl 0.4267(3) 0.4617(3) 0.7937(3) 0.0513(10) 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'
P P 0.1023 0.0942 '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'
Ir Ir -1.4442 7.9887 '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
P1 Au1 Cl1 169.88(12) . . ?
P1 Au1 Ir1 81.92(8) . . ?
Cl1 Au1 Ir1 107.99(10) . . ?
N1 Ir1 C34 90.7(6) . . ?
N1 Ir1 C30 170.5(5) . . ?
C34 Ir1 C30 90.5(7) . . ?
N1 Ir1 C33 93.7(6) . . ?
C34 Ir1 C33 37.3(6) . . ?
C30 Ir1 C33 81.6(7) . . ?
N1 Ir1 C37 153.7(5) . . ?
C34 Ir1 C37 82.4(6) . . ?
C30 Ir1 C37 35.7(6) . . ?
C33 Ir1 C37 96.0(7) . . ?
N1 Ir1 Cl2 87.8(3) . . ?
C34 Ir1 Cl2 160.8(5) . . ?
C30 Ir1 Cl2 94.2(5) . . ?
C33 Ir1 Cl2 161.9(4) . . ?
C37 Ir1 Cl2 90.5(4) . . ?
N1 Ir1 Au1 88.6(3) . . ?
C34 Ir1 Au1 122.8(5) . . ?
C30 Ir1 Au1 82.9(4) . . ?
C33 Ir1 Au1 85.7(4) . . ?
C37 Ir1 Au1 116.5(4) . . ?
Cl2 Ir1 Au1 76.29(9) . . ?
C11 P1 C1 104.5(6) . . ?
C11 P1 C21 101.9(6) . . ?
C1 P1 C21 105.3(6) . . ?
C11 P1 Au1 112.7(4) . . ?
C1 P1 Au1 113.5(4) . . ?
C21 P1 Au1 117.4(4) . . ?
C2 C1 C6 120.5(13) . . ?
C2 C1 P1 120.8(10) . . ?
C6 C1 P1 118.5(11) . . ?
C1 C2 C3 118.1(12) . . ?
C2 C3 C4 121.8(13) . . ?
C5 C4 C3 120.5(13) . . ?
C4 C5 C6 119.0(13) . . ?
C1 C6 C5 120.1(14) . . ?
C12 C11 N2 123.1(13) . . ?
C12 C11 P1 115.5(10) . . ?
N2 C11 P1 121.3(11) . . ?
C11 C12 C13 119.1(13) . . ?
C12 C13 C14 121.5(15) . . ?
C15 C14 C13 119.6(14) . . ?
C14 C15 N2 120.9(13) . . ?
C11 N2 C15 115.8(14) . . ?
N1 C21 C22 122.7(11) . . ?
N1 C21 P1 118.1(9) . . ?
C22 C21 P1 119.1(10) . . ?
C21 C22 C23 118.0(12) . . ?
C24 C23 C22 120.1(13) . . ?
C23 C24 C25 119.6(13) . . ?
N1 C25 C24 121.1(14) . . ?
C21 N1 C25 118.2(11) . . ?
C21 N1 Ir1 127.9(8) . . ?
C25 N1 Ir1 113.5(9) . . ?
C37 C30 C31 124.4(15) . . ?
C37 C30 Ir1 73.9(9) . . ?
C31 C30 Ir1 112.8(10) . . ?
C32 C31 C30 109.9(12) . . ?
C33 C32 C31 119.1(15) . . ?
C34 C33 C32 124.7(18) . . ?
C34 C33 Ir1 69.7(9) . . ?
C32 C33 Ir1 111.4(12) . . ?
C33 C34 C35 119.6(18) . . ?
C33 C34 Ir1 72.9(9) . . ?
C35 C34 Ir1 113.4(12) . . ?
C36 C35 C34 110.9(15) . . ?
C35 C36 C37 112.2(13) . . ?
C30 C37 C36 128.2(16) . . ?
C30 C37 Ir1 70.4(8) . . ?
C36 C37 Ir1 108.6(10) . . ?
P2 Au2 Cl3 168.59(12) . . ?
P2 Au2 Ir2 80.48(9) . . ?
Cl3 Au2 Ir2 110.77(9) . . ?
C77 Ir2 N3 93.1(5) . . ?
C77 Ir2 C73 97.9(5) . . ?
N3 Ir2 C73 153.2(4) . . ?
C77 Ir2 C70 39.1(5) . . ?
N3 Ir2 C70 92.2(5) . . ?
C73 Ir2 C70 81.4(5) . . ?
C77 Ir2 C74 80.4(5) . . ?
N3 Ir2 C74 167.9(5) . . ?
C73 Ir2 C74 38.8(5) . . ?
C70 Ir2 C74 89.2(5) . . ?
C77 Ir2 Cl4 162.4(4) . . ?
N3 Ir2 Cl4 87.4(3) . . ?
C73 Ir2 Cl4 89.3(4) . . ?
C70 Ir2 Cl4 158.5(4) . . ?
C74 Ir2 Cl4 95.7(4) . . ?
C77 Ir2 Au2 87.4(3) . . ?
N3 Ir2 Au2 89.4(3) . . ?
C73 Ir2 Au2 115.3(3) . . ?
C70 Ir2 Au2 126.5(4) . . ?
C74 Ir2 Au2 80.1(4) . . ?
Cl4 Ir2 Au2 75.01(8) . . ?
C51 P2 C41 107.0(6) . . ?
C51 P2 C61 104.5(6) . . ?
C41 P2 C61 103.8(6) . . ?
C51 P2 Au2 112.4(4) . . ?
C41 P2 Au2 109.2(4) . . ?
C61 P2 Au2 119.0(4) . . ?
C42 C41 C46 124.1(14) . . ?
C42 C41 P2 113.7(11) . . ?
C46 C41 P2 122.1(11) . . ?
C41 C42 C43 118.7(14) . . ?
C44 C43 C42 122.0(16) . . ?
C43 C44 C45 119.1(16) . . ?
C46 C45 C44 120.2(15) . . ?
C41 C46 C45 115.8(15) . . ?
C52 C51 N4 122.3(12) . . ?
C52 C51 P2 120.2(10) . . ?
N4 C51 P2 117.5(10) . . ?
C53 C52 C51 118.9(12) . . ?
C52 C53 C54 121.7(13) . . ?
C55 C54 C53 118.6(14) . . ?
C54 C55 N4 119.8(13) . . ?
C51 N4 C55 118.7(12) . . ?
N3 C61 C62 123.2(11) . . ?
N3 C61 P2 116.6(9) . . ?
C62 C61 P2 120.1(10) . . ?
C61 C62 C63 118.7(14) . . ?
C62 C63 C64 118.5(13) . . ?
C65 C64 C63 119.4(12) . . ?
N3 C65 C64 123.2(14) . . ?
C65 N3 C61 116.9(11) . . ?
C65 N3 Ir2 116.4(9) . . ?
C61 N3 Ir2 126.6(8) . . ?
C77 C70 C71 122.8(13) . . ?
C77 C70 Ir2 69.3(7) . . ?
C71 C70 Ir2 113.4(9) . . ?
C70 C71 C72 111.9(11) . . ?
C73 C72 C71 113.0(11) . . ?
C74 C73 C72 123.8(12) . . ?
C74 C73 Ir2 72.0(8) . . ?
C72 C73 Ir2 110.5(9) . . ?
C73 C74 C75 125.1(12) . . ?
C73 C74 Ir2 69.2(7) . . ?
C75 C74 Ir2 113.1(9) . . ?
C77 C76 C75 111.4(11) . . ?
C74 C75 C76 113.3(11) . . ?
C70 C77 C76 125.5(12) . . ?
C70 C77 Ir2 71.6(8) . . ?
C76 C77 Ir2 112.8(9) . . ?
Cl6 C80 Cl5 111.0(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 P1 2.216(3) . ?
Au1 Cl1 2.307(3) . ?
Au1 Ir1 3.0417(10) . ?
Ir1 N1 2.088(10) . ?
Ir1 C34 2.097(15) . ?
Ir1 C30 2.108(14) . ?
Ir1 C33 2.137(16) . ?
Ir1 C37 2.150(14) . ?
Ir1 Cl2 2.359(4) . ?
P1 C11 1.809(14) . ?
P1 C1 1.815(14) . ?
P1 C21 1.839(12) . ?
C1 C2 1.366(18) . ?
C1 C6 1.392(18) . ?
C2 C3 1.37(2) . ?
C3 C4 1.39(2) . ?
C4 C5 1.33(2) . ?
C5 C6 1.40(2) . ?
C11 C12 1.341(18) . ?
C11 N2 1.415(18) . ?
C12 C13 1.36(2) . ?
C13 C14 1.38(2) . ?
C14 C15 1.36(2) . ?
C15 N2 1.42(2) . ?
C21 N1 1.348(16) . ?
C21 C22 1.369(18) . ?
C22 C23 1.401(19) . ?
C23 C24 1.34(2) . ?
C24 C25 1.39(2) . ?
C25 N1 1.360(16) . ?
C30 C37 1.31(2) . ?
C30 C31 1.56(2) . ?
C31 C32 1.52(2) . ?
C32 C33 1.38(3) . ?
C33 C34 1.36(2) . ?
C34 C35 1.56(2) . ?
C35 C36 1.53(3) . ?
C36 C37 1.53(2) . ?
Au2 P2 2.221(3) . ?
Au2 Cl3 2.300(3) . ?
Au2 Ir2 3.0427(11) . ?
Ir2 C77 2.096(13) . ?
Ir2 N3 2.105(10) . ?
Ir2 C73 2.127(13) . ?
Ir2 C70 2.127(13) . ?
Ir2 C74 2.162(13) . ?
Ir2 Cl4 2.370(3) . ?
P2 C51 1.818(13) . ?
P2 C41 1.825(14) . ?
P2 C61 1.832(12) . ?
C41 C42 1.344(19) . ?
C41 C46 1.38(2) . ?
C42 C43 1.36(2) . ?
C43 C44 1.34(2) . ?
C44 C45 1.41(2) . ?
C45 C46 1.40(2) . ?
C51 C52 1.364(17) . ?
C51 N4 1.376(17) . ?
C52 C53 1.342(19) . ?
C53 C54 1.42(2) . ?
C54 C55 1.37(2) . ?
C55 N4 1.409(19) . ?
C61 N3 1.374(17) . ?
C61 C62 1.379(19) . ?
C62 C63 1.394(18) . ?
C63 C64 1.41(2) . ?
C64 C65 1.37(2) . ?
C65 N3 1.358(16) . ?
C70 C77 1.414(19) . ?
C70 C71 1.51(2) . ?
C71 C72 1.52(2) . ?
C72 C73 1.497(18) . ?
C73 C74 1.425(19) . ?
C74 C75 1.477(19) . ?
C76 C77 1.493(19) . ?
C76 C75 1.532(19) . ?
C80 Cl6 1.72(2) . ?
C80 Cl5 1.75(2) . ?
