#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:45:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179126 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308828.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_4308828
loop_
_publ_author_name
'Markus Brym'
'Cameron Jones'
'James D. E. T. Wilton-Ely'
_publ_contact_author_name        'James D. Wilton-Ely'
_publ_section_title
;
Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3275
_journal_page_last               3282
_journal_paper_doi               10.1021/ic048532u
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C48 H50 Au Cl Ir O P3'
_chemical_formula_weight         1160.41
_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                 105.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.311(3)
_cell_length_b                   15.346(3)
_cell_length_c                   22.193(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4378.3(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.1425
_diffrn_reflns_av_sigmaI/netI    0.1281
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            27851
_diffrn_reflns_theta_full        27.11
_diffrn_reflns_theta_max         27.11
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    6.589
_exptl_absorpt_correction_T_max  0.532
_exptl_absorpt_correction_T_min  0.326
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         ' 1.826 (near Ir1)'
_refine_diff_density_min         '-1.802 (near Ir1)'
_refine_diff_density_rms         0.254
_refine_ls_extinction_coef       0.00011(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         9606
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0584
_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)+(0.0502P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1392
_reflns_number_gt                6364
_reflns_number_total             9606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048532usi20041027_113733_2.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        4378.3(15)
_cod_database_code               4308828
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 -0.00783(3) 0.16094(2) 0.320923(17) 0.02981(13) Uani 1 1 d . . .
Ir1 Ir 0.30906(3) 0.14269(2) 0.399324(15) 0.02139(12) Uani 1 1 d . . .
Cl1 Cl -0.15760(19) 0.15247(17) 0.24127(13) 0.0461(7) Uani 1 1 d . . .
P1 P 0.13648(18) 0.17505(16) 0.40034(11) 0.0267(5) Uani 1 1 d . B .
P2 P 0.29854(17) 0.14918(15) 0.29167(11) 0.0238(5) Uani 1 1 d . . .
P3 P 0.41589(17) 0.26308(15) 0.43901(10) 0.0241(5) Uani 1 1 d . . .
O1 O 0.4937(5) 0.0199(4) 0.4322(3) 0.0406(18) Uani 1 1 d . . .
C1 C 0.2083(7) 0.0821(6) 0.4309(4) 0.026(2) Uani 1 1 d . . .
C2 C 0.1821(8) -0.0047(6) 0.4566(4) 0.034(2) Uani 1 1 d . . .
C3 C 0.2649(9) -0.0734(7) 0.4519(6) 0.059(3) Uani 1 1 d . . .
H3A H 0.3338 -0.0531 0.4754 0.089 Uiso 1 1 calc R . .
H3B H 0.2644 -0.0817 0.4081 0.089 Uiso 1 1 calc R . .
H3C H 0.2490 -0.1288 0.4694 0.089 Uiso 1 1 calc R . .
C4 C 0.0759(7) -0.0352(8) 0.4157(6) 0.063(4) Uani 1 1 d . . .
H4A H 0.0621 -0.0948 0.4273 0.094 Uiso 1 1 calc R . .
H4B H 0.0769 -0.0340 0.3717 0.094 Uiso 1 1 calc R . .
H4C H 0.0211 0.0036 0.4220 0.094 Uiso 1 1 calc R . .
C5 C 0.1788(12) 0.0047(9) 0.5233(6) 0.090(5) Uani 1 1 d U . .
H5A H 0.2481 0.0206 0.5489 0.135 Uiso 1 1 calc R . .
H5B H 0.1574 -0.0507 0.5381 0.135 Uiso 1 1 calc R . .
H5C H 0.1289 0.0503 0.5265 0.135 Uiso 1 1 calc R . .
C6 C 0.1104(8) 0.2543(7) 0.4596(5) 0.044(3) Uani 1 1 d . . .
H6 H 0.1226 0.3135 0.4440 0.053 Uiso 1 1 calc R A 1
C7 C 0.1749(10) 0.2490(9) 0.5200(6) 0.036(4) Uani 0.732(11) 1 d P B 1
H7A H 0.2483 0.2550 0.5185 0.043 Uiso 0.732(11) 1 calc PR B 1
H7B H 0.1667 0.1911 0.5378 0.043 Uiso 0.732(11) 1 calc PR B 1
C7A C 0.047(3) 0.202(2) 0.5021(15) 0.028(9) Uiso 0.268(11) 1 d P B 2
H7A1 H -0.0229 0.1863 0.4766 0.034 Uiso 0.268(11) 1 calc PR B 2
H7A2 H 0.0849 0.1484 0.5189 0.034 Uiso 0.268(11) 1 calc PR B 2
C8 C 0.1495(10) 0.3204(10) 0.5625(6) 0.042(4) Uani 0.732(11) 1 d P B 1
H8A H 0.1926 0.3117 0.6057 0.050 Uiso 0.732(11) 1 calc PR B 1
H8B H 0.1669 0.3782 0.5480 0.050 Uiso 0.732(11) 1 calc PR B 1
C8A C 0.039(4) 0.263(3) 0.556(2) 0.044(12) Uiso 0.268(11) 1 d P B 2
H8A1 H 0.1079 0.2713 0.5848 0.052 Uiso 0.268(11) 1 calc PR B 2
H8A2 H -0.0078 0.2361 0.5790 0.052 Uiso 0.268(11) 1 calc PR B 2
C9 C 0.0340(14) 0.3186(16) 0.5619(8) 0.066(5) Uani 0.732(11) 1 d P B 1
H9A H 0.0189 0.2635 0.5812 0.080 Uiso 0.732(11) 1 calc PR B 1
H9B H 0.0194 0.3674 0.5875 0.080 Uiso 0.732(11) 1 calc PR B 1
C9A C -0.010(4) 0.357(3) 0.526(3) 0.051(12) Uiso 0.268(11) 1 d P B 2
H9A1 H -0.0784 0.3491 0.4956 0.061 Uiso 0.268(11) 1 calc PR B 2
H9A2 H -0.0171 0.3978 0.5587 0.061 Uiso 0.268(11) 1 calc PR B 2
C10 C -0.0357(15) 0.3256(13) 0.4978(9) 0.069(6) Uani 0.732(11) 1 d PU B 1
H10A H -0.0265 0.3831 0.4799 0.082 Uiso 0.732(11) 1 calc PR B 1
H10B H -0.1092 0.3204 0.4994 0.082 Uiso 0.732(11) 1 calc PR B 1
C10A C 0.062(3) 0.389(2) 0.4956(17) 0.039(10) Uiso 0.268(11) 1 d P B 2
H10C H 0.1288 0.3971 0.5273 0.047 Uiso 0.268(11) 1 calc PR B 2
H10D H 0.0380 0.4466 0.4782 0.047 Uiso 0.268(11) 1 calc PR B 2
C11 C -0.0089(11) 0.2499(11) 0.4548(7) 0.060(5) Uani 0.732(11) 1 d P B 1
H11A H -0.0270 0.1924 0.4692 0.072 Uiso 0.732(11) 1 calc PR B 1
H11B H -0.0493 0.2582 0.4110 0.072 Uiso 0.732(11) 1 calc PR B 1
C11A C 0.083(2) 0.3319(17) 0.4421(13) 0.013(7) Uiso 0.268(11) 1 d P B 2
H11C H 0.0190 0.3298 0.4073 0.016 Uiso 0.268(11) 1 calc PR B 2
H11D H 0.1383 0.3596 0.4264 0.016 Uiso 0.268(11) 1 calc PR B 2
C12 C 0.4231(7) 0.0658(6) 0.4202(4) 0.030(2) Uani 1 1 d . . .
C13 C 0.4082(7) 0.1151(6) 0.2624(4) 0.026(2) Uani 1 1 d . . .
C14 C 0.5081(8) 0.1161(6) 0.3000(5) 0.037(2) Uani 1 1 d . . .
H14 H 0.5195 0.1337 0.3423 0.045 Uiso 1 1 calc R . .
C15 C 0.5930(7) 0.0921(6) 0.2782(5) 0.037(2) Uani 1 1 d . . .
H15 H 0.6616 0.0954 0.3047 0.045 Uiso 1 1 calc R . .
C16 C 0.5759(8) 0.0634(6) 0.2172(5) 0.040(3) Uani 1 1 d . . .
H16 H 0.6327 0.0434 0.2025 0.048 Uiso 1 1 calc R . .
C17 C 0.4768(8) 0.0635(6) 0.1777(5) 0.041(3) Uani 1 1 d . . .
H17 H 0.4660 0.0476 0.1351 0.049 Uiso 1 1 calc R . .
C18 C 0.3935(8) 0.0870(6) 0.2006(5) 0.035(2) Uani 1 1 d . . .
H18 H 0.3250 0.0840 0.1740 0.042 Uiso 1 1 calc R . .
C19 C 0.2048(7) 0.0626(6) 0.2562(4) 0.031(2) Uani 1 1 d . . .
C20 C 0.1149(8) 0.0766(7) 0.2096(5) 0.044(3) Uani 1 1 d . . .
H20 H 0.0959 0.1339 0.1949 0.053 Uiso 1 1 calc R . .
C21 C 0.0523(8) 0.0058(8) 0.1844(5) 0.053(3) Uani 1 1 d . . .
H21 H -0.0083 0.0151 0.1514 0.064 Uiso 1 1 calc R . .
C22 C 0.0766(8) -0.0762(7) 0.2063(5) 0.042(3) Uani 1 1 d . . .
H22 H 0.0316 -0.1233 0.1896 0.050 Uiso 1 1 calc R . .
C23 C 0.1661(8) -0.0914(7) 0.2526(4) 0.039(3) Uani 1 1 d . . .
H23 H 0.1833 -0.1488 0.2676 0.047 Uiso 1 1 calc R . .
C24 C 0.2310(8) -0.0221(6) 0.2771(4) 0.034(2) Uani 1 1 d . . .
H24 H 0.2937 -0.0326 0.3083 0.041 Uiso 1 1 calc R . .
C25 C 0.2543(7) 0.2491(6) 0.2477(4) 0.030(2) Uani 1 1 d . . .
C26 C 0.1572(7) 0.2839(7) 0.2457(4) 0.035(2) Uani 1 1 d . . .
H26 H 0.1110 0.2530 0.2642 0.042 Uiso 1 1 calc R . .
C27 C 0.1276(8) 0.3626(7) 0.2173(4) 0.040(3) Uani 1 1 d . . .
H27 H 0.0616 0.3863 0.2173 0.048 Uiso 1 1 calc R . .
C28 C 0.1926(8) 0.4079(6) 0.1888(5) 0.037(2) Uani 1 1 d . . .
H28 H 0.1711 0.4618 0.1684 0.045 Uiso 1 1 calc R . .
C29 C 0.2877(8) 0.3742(6) 0.1901(5) 0.037(2) Uani 1 1 d . . .
H29 H 0.3333 0.4057 0.1715 0.044 Uiso 1 1 calc R . .
C30 C 0.3192(7) 0.2949(6) 0.2182(4) 0.030(2) Uani 1 1 d . . .
H30 H 0.3849 0.2714 0.2174 0.036 Uiso 1 1 calc R . .
C31 C 0.3491(7) 0.3689(5) 0.4367(4) 0.028(2) Uani 1 1 d . . .
C32 C 0.3529(7) 0.4155(6) 0.4902(5) 0.038(3) Uani 1 1 d . . .
H32 H 0.3913 0.3935 0.5294 0.045 Uiso 1 1 calc R . .
C33 C 0.3008(9) 0.4944(6) 0.4872(5) 0.046(3) Uani 1 1 d . . .
H33 H 0.3061 0.5284 0.5236 0.055 Uiso 1 1 calc R . .
C34 C 0.2399(8) 0.5226(6) 0.4287(6) 0.044(3) Uani 1 1 d . . .
H34 H 0.2020 0.5755 0.4258 0.053 Uiso 1 1 calc R . .
C35 C 0.2347(8) 0.4743(6) 0.3758(5) 0.041(3) Uani 1 1 d . . .
H35 H 0.1952 0.4944 0.3363 0.049 Uiso 1 1 calc R . .
C36 C 0.2872(7) 0.3970(6) 0.3809(4) 0.033(2) Uani 1 1 d . . .
H36 H 0.2806 0.3620 0.3448 0.040 Uiso 1 1 calc R . .
C37 C 0.4839(7) 0.2485(5) 0.5221(4) 0.027(2) Uani 1 1 d . . .
C38 C 0.4560(7) 0.1831(6) 0.5579(4) 0.030(2) Uani 1 1 d . . .
H38 H 0.3997 0.1452 0.5402 0.036 Uiso 1 1 calc R . .
C39 C 0.5111(7) 0.1734(6) 0.6198(4) 0.032(2) Uani 1 1 d . . .
H39 H 0.4920 0.1284 0.6441 0.038 Uiso 1 1 calc R . .
C40 C 0.5924(7) 0.2273(6) 0.6467(4) 0.034(2) Uani 1 1 d . . .
H40 H 0.6288 0.2196 0.6893 0.041 Uiso 1 1 calc R . .
C41 C 0.6214(7) 0.2928(7) 0.6122(4) 0.038(2) Uani 1 1 d . . .
H41 H 0.6781 0.3301 0.6304 0.046 Uiso 1 1 calc R . .
C42 C 0.5653(7) 0.3034(7) 0.5492(4) 0.034(2) Uani 1 1 d . . .
H42 H 0.5839 0.3489 0.5251 0.041 Uiso 1 1 calc R . .
C43 C 0.5268(6) 0.2856(6) 0.4052(4) 0.024(2) Uani 1 1 d . . .
C44 C 0.6176(7) 0.2364(6) 0.4280(5) 0.037(2) Uani 1 1 d . . .
H44 H 0.6230 0.1969 0.4616 0.044 Uiso 1 1 calc R . .
C45 C 0.6996(8) 0.2465(7) 0.4005(5) 0.046(3) Uani 1 1 d . . .
H45 H 0.7612 0.2134 0.4162 0.055 Uiso 1 1 calc R . .
C46 C 0.6948(8) 0.3016(7) 0.3525(5) 0.046(3) Uani 1 1 d . . .
H46 H 0.7517 0.3072 0.3343 0.056 Uiso 1 1 calc R . .
C47 C 0.6048(9) 0.3498(7) 0.3304(6) 0.047(3) Uani 1 1 d . . .
H47 H 0.6000 0.3886 0.2964 0.057 Uiso 1 1 calc R . .
C48 C 0.5204(8) 0.3424(6) 0.3572(5) 0.036(2) Uani 1 1 d . . .
H48 H 0.4596 0.3766 0.3420 0.043 Uiso 1 1 calc R . .
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'
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'
O O 0.0106 0.0060 '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 177.40(9) . . ?
C12 Ir1 C1 101.7(4) . . ?
C12 Ir1 P1 148.8(3) . . ?
C1 Ir1 P1 47.1(3) . . ?
C12 Ir1 P3 91.7(3) . . ?
C1 Ir1 P3 131.1(3) . . ?
P1 Ir1 P3 109.04(8) . . ?
C12 Ir1 P2 96.2(3) . . ?
C1 Ir1 P2 122.0(3) . . ?
P1 Ir1 P2 101.47(8) . . ?
P3 Ir1 P2 102.53(8) . . ?
C1 P1 C6 115.8(4) . . ?
C1 P1 Au1 119.5(3) . . ?
C6 P1 Au1 109.4(3) . . ?
C1 P1 Ir1 52.9(3) . . ?
C6 P1 Ir1 119.9(3) . . ?
Au1 P1 Ir1 127.39(11) . . ?
C13 P2 C25 103.1(4) . . ?
C13 P2 C19 99.0(4) . . ?
C25 P2 C19 106.6(4) . . ?
C13 P2 Ir1 120.4(3) . . ?
C25 P2 Ir1 120.1(3) . . ?
C19 P2 Ir1 104.9(3) . . ?
C37 P3 C31 104.0(4) . . ?
C37 P3 C43 101.0(4) . . ?
C31 P3 C43 104.7(4) . . ?
C37 P3 Ir1 111.7(3) . . ?
C31 P3 Ir1 116.1(3) . . ?
C43 P3 Ir1 117.5(3) . . ?
C2 C1 P1 134.5(7) . . ?
C2 C1 Ir1 144.5(7) . . ?
P1 C1 Ir1 79.9(3) . . ?
C5 C2 C1 110.7(9) . . ?
C5 C2 C4 110.7(10) . . ?
C1 C2 C4 108.0(8) . . ?
C5 C2 C3 109.6(9) . . ?
C1 C2 C3 109.5(8) . . ?
C4 C2 C3 108.3(9) . . ?
C11A C6 C7 113.7(16) . . ?
C11A C6 C11 79.2(16) . . ?
C7 C6 C11 115.1(11) . . ?
C11A C6 C7A 118.9(19) . . ?
C7 C6 C7A 72.3(14) . . ?
C11 C6 C7A 49.5(14) . . ?
C11A C6 P1 118.7(14) . . ?
C7 C6 P1 117.0(8) . . ?
C11 C6 P1 107.0(7) . . ?
C7A C6 P1 107.8(13) . . ?
C6 C7 C8 111.7(11) . . ?
C8A C7A C6 108(3) . . ?
C9 C8 C7 111.1(12) . . ?
C7A C8A C9A 108(4) . . ?
C10 C9 C8 112.4(14) . . ?
C10A C9A C8A 105(4) . . ?
C9 C10 C11 109.7(16) . . ?
C9A C10A C11A 117(3) . . ?
C6 C11 C10 108.0(12) . . ?
C6 C11A C10A 113(2) . . ?
O1 C12 Ir1 178.7(9) . . ?
C14 C13 C18 117.6(9) . . ?
C14 C13 P2 121.3(7) . . ?
C18 C13 P2 121.0(7) . . ?
C13 C14 C15 122.2(9) . . ?
C16 C15 C14 118.8(9) . . ?
C17 C16 C15 120.6(9) . . ?
C16 C17 C18 119.4(10) . . ?
C17 C18 C13 121.3(9) . . ?
C20 C19 C24 119.2(9) . . ?
C20 C19 P2 124.3(8) . . ?
C24 C19 P2 116.4(7) . . ?
C19 C20 C21 119.4(10) . . ?
C22 C21 C20 121.1(10) . . ?
C21 C22 C23 120.2(10) . . ?
C22 C23 C24 119.6(10) . . ?
C23 C24 C19 120.4(9) . . ?
C26 C25 C30 118.3(9) . . ?
C26 C25 P2 120.4(7) . . ?
C30 C25 P2 121.2(7) . . ?
C27 C26 C25 120.5(9) . . ?
C26 C27 C28 120.8(10) . . ?
C29 C28 C27 119.2(9) . . ?
C28 C29 C30 121.1(10) . . ?
C29 C30 C25 120.1(9) . . ?
C36 C31 C32 119.7(9) . . ?
C36 C31 P3 118.4(7) . . ?
C32 C31 P3 121.6(7) . . ?
C31 C32 C33 120.4(9) . . ?
C32 C33 C34 118.3(10) . . ?
C35 C34 C33 120.7(9) . . ?
C36 C35 C34 119.1(9) . . ?
C31 C36 C35 121.6(10) . . ?
C42 C37 C38 119.2(8) . . ?
C42 C37 P3 119.1(7) . . ?
C38 C37 P3 121.7(7) . . ?
C39 C38 C37 119.5(8) . . ?
C40 C39 C38 121.4(9) . . ?
C39 C40 C41 120.1(8) . . ?
C40 C41 C42 118.8(9) . . ?
C37 C42 C41 120.9(9) . . ?
C48 C43 C44 119.9(9) . . ?
C48 C43 P3 122.7(7) . . ?
C44 C43 P3 117.2(7) . . ?
C45 C44 C43 118.9(9) . . ?
C46 C45 C44 122.3(10) . . ?
C45 C46 C47 118.3(10) . . ?
C46 C47 C48 121.3(10) . . ?
C43 C48 C47 119.2(9) . . ?
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 2.255(2) . ?
Au1 Cl1 2.300(2) . ?
Ir1 C12 1.882(9) . ?
Ir1 C1 1.909(9) . ?
Ir1 P1 2.356(2) . ?
Ir1 P3 2.358(2) . ?
Ir1 P2 2.359(2) . ?
P1 C1 1.753(9) . ?
P1 C6 1.888(10) . ?
P2 C13 1.821(9) . ?
P2 C25 1.831(9) . ?
P2 C19 1.853(9) . ?
P3 C37 1.845(9) . ?
P3 C31 1.846(9) . ?
P3 C43 1.853(9) . ?
O1 C12 1.150(10) . ?
C1 C2 1.524(12) . ?
C2 C5 1.499(16) . ?
C2 C4 1.542(13) . ?
C2 C3 1.548(14) . ?
C6 C11A 1.28(3) . ?
C6 C7 1.395(15) . ?
C6 C11 1.565(17) . ?
C6 C7A 1.62(3) . ?
C7 C8 1.539(18) . ?
C7A C8A 1.53(5) . ?
C8 C9 1.53(2) . ?
C8A C9A 1.66(6) . ?
C9 C10 1.49(3) . ?
C9A C10A 1.38(6) . ?
C10 C11 1.60(2) . ?
C10A C11A 1.55(4) . ?
C13 C14 1.375(12) . ?
C13 C18 1.402(13) . ?
C14 C15 1.388(13) . ?
C15 C16 1.386(14) . ?
C16 C17 1.382(14) . ?
C17 C18 1.383(13) . ?
C19 C20 1.379(13) . ?
C19 C24 1.394(13) . ?
C20 C21 1.395(14) . ?
C21 C22 1.357(15) . ?
C22 C23 1.376(14) . ?
C23 C24 1.389(13) . ?
C25 C26 1.388(12) . ?
C25 C30 1.401(12) . ?
C26 C27 1.372(13) . ?
C27 C28 1.385(14) . ?
C28 C29 1.361(13) . ?
C29 C30 1.381(12) . ?
C31 C36 1.366(12) . ?
C31 C32 1.375(13) . ?
C32 C33 1.389(13) . ?
C33 C34 1.408(14) . ?
C34 C35 1.374(14) . ?
C35 C36 1.367(13) . ?
C37 C42 1.381(12) . ?
C37 C38 1.389(12) . ?
C38 C39 1.387(12) . ?
C39 C40 1.370(13) . ?
C40 C41 1.378(14) . ?
C41 C42 1.413(12) . ?
C43 C48 1.362(12) . ?
C43 C44 1.403(12) . ?
C44 C45 1.389(14) . ?
C45 C46 1.350(14) . ?
C46 C47 1.385(15) . ?
C47 C48 1.406(14) . ?
