#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:42:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179124 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/86/4308665.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_4308665
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Jack L. Smith'
_publ_contact_author_name        'Richard D. Adams'
_publ_section_title
;
High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl
Ligands: Synthesis, Structures, and Reactivity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1413
_journal_page_last               1420
_journal_paper_doi               10.1021/ic0485108
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C48 H35 Ge4 Ir3 O6'
_chemical_formula_weight         1574.72
_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                98.0030(10)
_cell_angle_beta                 93.9260(10)
_cell_angle_gamma                114.3030(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6076(7)
_cell_length_b                   12.9334(8)
_cell_length_c                   17.3520(11)
_cell_measurement_reflns_used    6255
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.30
_cell_volume                     2328.1(3)
_computing_cell_refinement       'SAINT+  V6.2 (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT+  V6.2'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20523
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    11.133
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.864
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9138
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0280
_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)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                8208
_reflns_number_total             9138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0485108si20041027_105929_1.cif
_cod_data_source_block           Ir3Ge4
_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        2328.1(2)
_cod_database_code               4308665
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
Ir1 Ir 0.241799(17) 0.247200(14) 0.287307(9) 0.03407(6) Uani 1 1 d . . .
Ir2 Ir 0.131296(16) 0.034999(14) 0.344416(9) 0.03152(6) Uani 1 1 d . . .
Ir3 Ir 0.129653(16) 0.037941(14) 0.177347(9) 0.03267(6) Uani 1 1 d . . .
Ge1 Ge 0.24949(4) 0.22955(4) 0.42887(2) 0.03513(11) Uani 1 1 d . . .
Ge2 Ge 0.01581(4) -0.13527(4) 0.23691(3) 0.03608(11) Uani 1 1 d . . .
Ge3 Ge 0.26764(5) 0.22778(4) 0.14508(3) 0.03742(11) Uani 1 1 d . . .
Ge4 Ge 0.31920(4) 0.09763(4) 0.27518(2) 0.03444(11) Uani 1 1 d . . .
O11 O 0.0102(5) 0.3036(4) 0.2667(3) 0.0910(15) Uani 1 1 d . . .
O12 O 0.4683(5) 0.4782(4) 0.3224(3) 0.1039(18) Uani 1 1 d . . .
O21 O -0.1080(4) 0.0133(4) 0.4155(2) 0.0742(12) Uani 1 1 d . . .
O22 O 0.2280(5) -0.0998(4) 0.4369(2) 0.0788(12) Uani 1 1 d . . .
O31 O 0.2075(4) -0.0979(4) 0.0533(2) 0.0790(13) Uani 1 1 d . . .
O32 O -0.1274(4) 0.0308(4) 0.1168(3) 0.0828(13) Uani 1 1 d . . .
C11 C 0.0960(6) 0.2836(4) 0.2770(3) 0.0520(13) Uani 1 1 d . . .
C12 C 0.3830(6) 0.3900(5) 0.3103(3) 0.0630(15) Uani 1 1 d . . .
C21 C -0.0224(4) 0.0238(4) 0.3834(3) 0.0450(11) Uani 1 1 d . . .
C22 C 0.1942(5) -0.0475(4) 0.4021(3) 0.0491(12) Uani 1 1 d . . .
C31 C 0.1784(5) -0.0468(4) 0.1003(3) 0.0510(12) Uani 1 1 d . . .
C32 C -0.0332(5) 0.0350(4) 0.1406(3) 0.0475(11) Uani 1 1 d . . .
C41 C 0.1684(4) 0.3057(4) 0.4960(3) 0.0402(10) Uani 1 1 d . . .
C42 C 0.4126(4) 0.2598(4) 0.4887(2) 0.0405(10) Uani 1 1 d . . .
C43 C 0.0753(5) -0.2561(4) 0.2243(2) 0.0406(10) Uani 1 1 d . . .
C44 C -0.1705(4) -0.2114(4) 0.2167(3) 0.0395(10) Uani 1 1 d . . .
C45 C 0.2144(5) 0.3173(4) 0.0808(2) 0.0417(10) Uani 1 1 d . . .
C46 C 0.4345(5) 0.2434(4) 0.1164(3) 0.0480(12) Uani 1 1 d . . .
C47 C 0.4745(4) 0.0779(4) 0.2776(3) 0.0399(10) Uani 1 1 d . . .
C51 C 0.5243(5) 0.3554(5) 0.4862(3) 0.0593(14) Uani 1 1 d . . .
H51 H 0.5220 0.4093 0.4566 0.071 Uiso 1 1 calc R . .
C52 C 0.6398(6) 0.3724(5) 0.5270(3) 0.0684(16) Uani 1 1 d . . .
H52 H 0.7139 0.4370 0.5243 0.082 Uiso 1 1 calc R . .
C53 C 0.6443(6) 0.2945(5) 0.5710(3) 0.0635(15) Uani 1 1 d . . .
H53 H 0.7216 0.3051 0.5979 0.076 Uiso 1 1 calc R . .
C54 C 0.5358(5) 0.2013(5) 0.5753(3) 0.0636(15) Uani 1 1 d . . .
H54 H 0.5388 0.1488 0.6060 0.076 Uiso 1 1 calc R . .
C55 C 0.4209(5) 0.1833(5) 0.5347(3) 0.0552(13) Uani 1 1 d . . .
H55 H 0.3476 0.1186 0.5384 0.066 Uiso 1 1 calc R . .
C56 C 0.2306(6) 0.3709(5) 0.5679(3) 0.0570(13) Uani 1 1 d . . .
H56 H 0.3105 0.3757 0.5855 0.068 Uiso 1 1 calc R . .
C57 C 0.1770(8) 0.4305(6) 0.6154(4) 0.082(2) Uani 1 1 d . . .
H57 H 0.2209 0.4748 0.6640 0.099 Uiso 1 1 calc R . .
C58 C 0.0601(8) 0.4232(6) 0.5898(4) 0.086(2) Uani 1 1 d . . .
H58 H 0.0230 0.4615 0.6215 0.103 Uiso 1 1 calc R . .
C59 C -0.0035(6) 0.3596(6) 0.5175(4) 0.0738(17) Uani 1 1 d . . .
H59 H -0.0823 0.3567 0.4994 0.089 Uiso 1 1 calc R . .
C60 C 0.0499(5) 0.3000(5) 0.4716(3) 0.0544(13) Uani 1 1 d . . .
H60 H 0.0053 0.2552 0.4233 0.065 Uiso 1 1 calc R . .
C61 C -0.2449(5) -0.2299(4) 0.2764(3) 0.0576(14) Uani 1 1 d . . .
H61 H -0.2057 -0.2042 0.3284 0.069 Uiso 1 1 calc R . .
C62 C -0.3754(6) -0.2852(5) 0.2609(4) 0.0710(18) Uani 1 1 d . . .
H62 H -0.4238 -0.2975 0.3020 0.085 Uiso 1 1 calc R . .
C63 C -0.4344(5) -0.3224(5) 0.1849(4) 0.0647(16) Uani 1 1 d . . .
H63 H -0.5230 -0.3590 0.1742 0.078 Uiso 1 1 calc R . .
C64 C -0.3631(6) -0.3058(5) 0.1254(3) 0.0710(17) Uani 1 1 d . . .
H64 H -0.4030 -0.3319 0.0736 0.085 Uiso 1 1 calc R . .
C65 C -0.2319(5) -0.2504(5) 0.1409(3) 0.0594(14) Uani 1 1 d . . .
H65 H -0.1842 -0.2392 0.0994 0.071 Uiso 1 1 calc R . .
C66 C -0.0097(5) -0.3716(4) 0.2068(3) 0.0520(12) Uani 1 1 d . . .
H66 H -0.0972 -0.3928 0.2015 0.062 Uiso 1 1 calc R . .
C67 C 0.0361(7) -0.4560(5) 0.1971(4) 0.0697(16) Uani 1 1 d . . .
H67 H -0.0215 -0.5334 0.1850 0.084 Uiso 1 1 calc R . .
C68 C 0.1631(6) -0.4273(5) 0.2050(4) 0.0687(16) Uani 1 1 d . . .
H68 H 0.1923 -0.4845 0.1978 0.082 Uiso 1 1 calc R . .
C69 C 0.2477(6) -0.3142(5) 0.2237(4) 0.0706(17) Uani 1 1 d . . .
H69 H 0.3350 -0.2935 0.2302 0.085 Uiso 1 1 calc R . .
C70 C 0.2024(5) -0.2301(5) 0.2329(3) 0.0615(14) Uani 1 1 d . . .
H70 H 0.2609 -0.1530 0.2455 0.074 Uiso 1 1 calc R . .
C71 C 0.5484(5) 0.3029(5) 0.1667(4) 0.0719(17) Uani 1 1 d . . .
H71 H 0.5488 0.3424 0.2158 0.086 Uiso 1 1 calc R . .
C72 C 0.6605(6) 0.3044(6) 0.1453(5) 0.093(2) Uani 1 1 d . . .
H72 H 0.7361 0.3463 0.1796 0.111 Uiso 1 1 calc R . .
C73 C 0.6625(7) 0.2459(7) 0.0750(5) 0.091(2) Uani 1 1 d . . .
H73 H 0.7386 0.2456 0.0618 0.109 Uiso 1 1 calc R . .
C74 C 0.5541(8) 0.1880(6) 0.0242(4) 0.092(2) Uani 1 1 d . . .
H74 H 0.5560 0.1490 -0.0245 0.110 Uiso 1 1 calc R . .
C75 C 0.4387(6) 0.1861(6) 0.0440(3) 0.0710(17) Uani 1 1 d . . .
H75 H 0.3645 0.1460 0.0083 0.085 Uiso 1 1 calc R . .
C76 C 0.3083(5) 0.4143(4) 0.0622(3) 0.0516(12) Uani 1 1 d . . .
H76 H 0.3937 0.4328 0.0780 0.062 Uiso 1 1 calc R . .
C77 C 0.2762(6) 0.4841(5) 0.0203(3) 0.0668(16) Uani 1 1 d . . .
H77 H 0.3401 0.5501 0.0089 0.080 Uiso 1 1 calc R . .
C78 C 0.1518(6) 0.4569(5) -0.0044(3) 0.0652(16) Uani 1 1 d . . .
H78 H 0.1314 0.5043 -0.0328 0.078 Uiso 1 1 calc R . .
C79 C 0.0565(6) 0.3607(5) 0.0122(3) 0.0647(15) Uani 1 1 d . . .
H79 H -0.0285 0.3415 -0.0054 0.078 Uiso 1 1 calc R . .
C80 C 0.0893(5) 0.2911(5) 0.0562(3) 0.0548(13) Uani 1 1 d . . .
H80 H 0.0251 0.2264 0.0689 0.066 Uiso 1 1 calc R . .
C81 C 0.5602(6) 0.1140(6) 0.3455(3) 0.0695(17) Uani 1 1 d . . .
H81 H 0.5427 0.1487 0.3910 0.083 Uiso 1 1 calc R . .
C82 C 0.6709(7) 0.0994(8) 0.3469(4) 0.098(3) Uani 1 1 d . . .
H82 H 0.7276 0.1233 0.3932 0.118 Uiso 1 1 calc R . .
C83 C 0.6981(6) 0.0486(7) 0.2784(4) 0.087(2) Uani 1 1 d . . .
H83 H 0.7738 0.0399 0.2786 0.105 Uiso 1 1 calc R . .
C84 C 0.6143(6) 0.0122(6) 0.2122(4) 0.0778(19) Uani 1 1 d . . .
H84 H 0.6311 -0.0237 0.1670 0.093 Uiso 1 1 calc R . .
C85 C 0.5042(5) 0.0278(5) 0.2108(3) 0.0666(16) Uani 1 1 d . . .
H85 H 0.4485 0.0042 0.1641 0.080 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
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
C12 Ir1 C11 104.8(3) . . ?
C12 Ir1 Ge4 108.0(2) . . ?
C11 Ir1 Ge4 147.07(15) . . ?
C12 Ir1 Ge3 91.22(16) . . ?
C11 Ir1 Ge3 96.44(14) . . ?
Ge4 Ir1 Ge3 79.674(16) . . ?
C12 Ir1 Ge1 91.30(16) . . ?
C11 Ir1 Ge1 99.00(14) . . ?
Ge4 Ir1 Ge1 83.724(15) . . ?
Ge3 Ir1 Ge1 163.171(18) . . ?
C12 Ir1 Ir3 142.72(17) . . ?
C11 Ir1 Ir3 95.68(15) . . ?
Ge4 Ir1 Ir3 55.111(12) . . ?
Ge3 Ir1 Ir3 55.257(12) . . ?
Ge1 Ir1 Ir3 116.177(12) . . ?
C12 Ir1 Ir2 140.72(18) . . ?
C11 Ir1 Ir2 100.36(15) . . ?
Ge4 Ir1 Ir2 54.512(12) . . ?
Ge3 Ir1 Ir2 115.531(13) . . ?
Ge1 Ir1 Ir2 54.940(11) . . ?
Ir3 Ir1 Ir2 61.387(7) . . ?
C22 Ir2 C21 106.3(2) . . ?
C22 Ir2 Ge4 91.73(16) . . ?
C21 Ir2 Ge4 161.50(15) . . ?
C22 Ir2 Ge2 92.55(15) . . ?
C21 Ir2 Ge2 92.95(14) . . ?
Ge4 Ir2 Ge2 90.301(16) . . ?
C22 Ir2 Ge1 98.25(15) . . ?
C21 Ir2 Ge1 89.79(14) . . ?
Ge4 Ir2 Ge1 83.405(15) . . ?
Ge2 Ir2 Ge1 167.636(16) . . ?
C22 Ir2 Ir1 135.30(16) . . ?
C21 Ir2 Ir1 108.38(14) . . ?
Ge4 Ir2 Ir1 53.878(11) . . ?
Ge2 Ir2 Ir1 112.730(13) . . ?
Ge1 Ir2 Ir1 55.067(12) . . ?
C22 Ir2 Ir3 126.86(15) . . ?
C21 Ir2 Ir3 114.76(15) . . ?
Ge4 Ir2 Ir3 53.825(11) . . ?
Ge2 Ir2 Ir3 54.457(11) . . ?
Ge1 Ir2 Ir3 113.600(12) . . ?
Ir1 Ir2 Ir3 58.676(6) . . ?
C31 Ir3 C32 110.5(2) . . ?
C31 Ir3 Ge4 96.48(16) . . ?
C32 Ir3 Ge4 153.00(15) . . ?
C31 Ir3 Ge3 94.24(15) . . ?
C32 Ir3 Ge3 97.36(14) . . ?
Ge4 Ir3 Ge3 79.486(16) . . ?
C31 Ir3 Ge2 92.08(15) . . ?
C32 Ir3 Ge2 89.48(14) . . ?
Ge4 Ir3 Ge2 90.165(16) . . ?
Ge3 Ir3 Ge2 168.410(16) . . ?
C31 Ir3 Ir1 138.77(16) . . ?
C32 Ir3 Ir1 101.59(15) . . ?
Ge4 Ir3 Ir1 54.387(11) . . ?
Ge3 Ir3 Ir1 55.649(12) . . ?
Ge2 Ir3 Ir1 113.867(12) . . ?
C31 Ir3 Ir2 129.77(16) . . ?
C32 Ir3 Ir2 105.71(14) . . ?
Ge4 Ir3 Ir2 53.750(11) . . ?
Ge3 Ir3 Ir2 114.492(12) . . ?
Ge2 Ir3 Ir2 54.343(11) . . ?
Ir1 Ir3 Ir2 59.936(6) . . ?
C41 Ge1 C42 106.65(19) . . ?
C41 Ge1 Ir2 123.54(14) . . ?
C42 Ge1 Ir2 116.70(13) . . ?
C41 Ge1 Ir1 117.91(13) . . ?
C42 Ge1 Ir1 118.99(13) . . ?
Ir2 Ge1 Ir1 69.994(13) . . ?
C43 Ge2 C44 107.01(19) . . ?
C43 Ge2 Ir2 118.11(14) . . ?
C44 Ge2 Ir2 121.53(13) . . ?
C43 Ge2 Ir3 117.45(14) . . ?
C44 Ge2 Ir3 118.49(13) . . ?
Ir2 Ge2 Ir3 71.200(14) . . ?
C45 Ge3 C46 105.67(19) . . ?
C45 Ge3 Ir3 126.79(14) . . ?
C46 Ge3 Ir3 115.41(14) . . ?
C45 Ge3 Ir1 118.77(13) . . ?
C46 Ge3 Ir1 118.20(15) . . ?
Ir3 Ge3 Ir1 69.095(12) . . ?
C47 Ge4 Ir1 141.49(14) . . ?
C47 Ge4 Ir2 136.06(13) . . ?
Ir1 Ge4 Ir2 71.610(13) . . ?
C47 Ge4 Ir3 135.03(13) . . ?
Ir1 Ge4 Ir3 70.502(13) . . ?
Ir2 Ge4 Ir3 72.425(14) . . ?
O11 C11 Ir1 176.4(5) . . ?
O12 C12 Ir1 177.9(6) . . ?
O21 C21 Ir2 170.6(5) . . ?
O22 C22 Ir2 177.7(5) . . ?
O31 C31 Ir3 179.6(5) . . ?
O32 C32 Ir3 177.3(5) . . ?
C56 C41 C60 117.9(4) . . ?
C56 C41 Ge1 120.5(4) . . ?
C60 C41 Ge1 121.5(3) . . ?
C51 C42 C55 116.9(5) . . ?
C51 C42 Ge1 122.7(4) . . ?
C55 C42 Ge1 120.4(4) . . ?
C70 C43 C66 117.6(4) . . ?
C70 C43 Ge2 121.2(4) . . ?
C66 C43 Ge2 121.3(4) . . ?
C65 C44 C61 117.6(5) . . ?
C65 C44 Ge2 120.1(3) . . ?
C61 C44 Ge2 122.3(4) . . ?
C80 C45 C76 118.7(5) . . ?
C80 C45 Ge3 123.4(4) . . ?
C76 C45 Ge3 117.8(4) . . ?
C75 C46 C71 117.3(5) . . ?
C75 C46 Ge3 118.8(4) . . ?
C71 C46 Ge3 123.8(4) . . ?
C81 C47 C85 118.0(5) . . ?
C81 C47 Ge4 121.2(4) . . ?
C85 C47 Ge4 120.8(4) . . ?
C42 C51 C52 121.4(5) . . ?
C53 C52 C51 119.9(6) . . ?
C54 C53 C52 119.7(6) . . ?
C53 C54 C55 120.8(5) . . ?
C54 C55 C42 121.2(5) . . ?
C41 C56 C57 121.5(6) . . ?
C58 C57 C56 119.3(6) . . ?
C57 C58 C59 120.3(5) . . ?
C58 C59 C60 119.8(6) . . ?
C59 C60 C41 121.2(5) . . ?
C62 C61 C44 121.3(5) . . ?
C63 C62 C61 120.1(5) . . ?
C64 C63 C62 119.6(6) . . ?
C63 C64 C65 120.4(5) . . ?
C44 C65 C64 121.0(5) . . ?
C43 C66 C67 119.8(5) . . ?
C68 C67 C66 121.2(5) . . ?
C67 C68 C69 119.6(5) . . ?
C68 C69 C70 119.4(6) . . ?
C43 C70 C69 122.5(5) . . ?
C72 C71 C46 121.2(6) . . ?
C73 C72 C71 120.7(7) . . ?
C74 C73 C72 119.9(6) . . ?
C73 C74 C75 120.6(7) . . ?
C46 C75 C74 120.2(6) . . ?
C45 C76 C77 120.4(5) . . ?
C78 C77 C76 120.4(5) . . ?
C77 C78 C79 120.7(5) . . ?
C78 C79 C80 118.7(6) . . ?
C45 C80 C79 121.0(5) . . ?
C82 C81 C47 120.9(5) . . ?
C81 C82 C83 119.7(6) . . ?
C84 C83 C82 119.6(6) . . ?
C83 C84 C85 120.6(6) . . ?
C84 C85 C47 121.2(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
Ir1 C12 1.863(6) . ?
Ir1 C11 1.939(6) . ?
Ir1 Ge4 2.4365(5) . ?
Ir1 Ge3 2.4969(5) . ?
Ir1 Ge1 2.4973(5) . ?
Ir1 Ir3 2.8252(3) . ?
Ir1 Ir2 2.8624(3) . ?
Ir2 C22 1.875(5) . ?
Ir2 C21 1.908(5) . ?
Ir2 Ge4 2.4561(5) . ?
Ir2 Ge2 2.4920(5) . ?
Ir2 Ge1 2.4934(5) . ?
Ir2 Ir3 2.9034(3) . ?
Ir3 C31 1.874(5) . ?
Ir3 C32 1.937(5) . ?
Ir3 Ge4 2.4584(5) . ?
Ir3 Ge3 2.4851(5) . ?
Ir3 Ge2 2.4956(5) . ?
Ge1 C41 1.951(4) . ?
Ge1 C42 1.955(5) . ?
Ge2 C43 1.944(4) . ?
Ge2 C44 1.954(4) . ?
Ge3 C45 1.954(4) . ?
Ge3 C46 1.970(5) . ?
Ge4 C47 1.921(4) . ?
O11 C11 1.136(6) . ?
O12 C12 1.141(6) . ?
O21 C21 1.140(5) . ?
O22 C22 1.129(6) . ?
O31 C31 1.135(6) . ?
O32 C32 1.119(6) . ?
C41 C56 1.368(7) . ?
C41 C60 1.380(7) . ?
C42 C51 1.383(7) . ?
C42 C55 1.384(7) . ?
C43 C70 1.364(7) . ?
C43 C66 1.385(6) . ?
C44 C65 1.372(6) . ?
C44 C61 1.378(6) . ?
C45 C80 1.370(7) . ?
C45 C76 1.378(6) . ?
C46 C75 1.381(7) . ?
C46 C71 1.386(7) . ?
C47 C81 1.378(7) . ?
C47 C85 1.383(6) . ?
C51 C52 1.390(7) . ?
C52 C53 1.361(8) . ?
C53 C54 1.354(8) . ?
C54 C55 1.378(7) . ?
C56 C57 1.396(8) . ?
C57 C58 1.360(10) . ?
C58 C59 1.373(9) . ?
C59 C60 1.379(7) . ?
C61 C62 1.370(7) . ?
C62 C63 1.366(8) . ?
C63 C64 1.353(8) . ?
C64 C65 1.378(7) . ?
C66 C67 1.394(7) . ?
C67 C68 1.357(8) . ?
C68 C69 1.360(8) . ?
C69 C70 1.385(7) . ?
C71 C72 1.370(8) . ?
C72 C73 1.350(9) . ?
C73 C74 1.345(10) . ?
C74 C75 1.396(8) . ?
C76 C77 1.380(7) . ?
C77 C78 1.359(8) . ?
C78 C79 1.366(8) . ?
C79 C80 1.404(7) . ?
C81 C82 1.373(8) . ?
C82 C83 1.396(9) . ?
C83 C84 1.344(9) . ?
C84 C85 1.372(7) . ?
