# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_IrSiCl3
_database_code_depnum_ccdc_archive 'CCDC 1444518'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-02-19 downloaded from the CCDC.
;


# CHEMICAL DATA
_chemical_formula_moiety         'C37 H28 Cl3 Ir O P2 Si, 2(C H2 Cl2)'
_chemical_formula_sum            'C39 H32 Cl7 Ir O P2 Si'
_chemical_formula_weight         1047.03

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'
Si Si 0.0817 0.0704 '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'


# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   10.2652(2)
_cell_length_b                   15.8355(3)
_cell_length_c                   25.8307(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4198.90(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    10695
_cell_measurement_theta_min      2.0348
_cell_measurement_theta_max      27.4855

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2056
_exptl_absorpt_coefficient_mu    3.761
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5201
_exptl_absorpt_correction_T_max  0.7529
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_special_details           ?


# EXPERIMENTAL DATA
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_detector       CCD
_diffrn_measurement_method       'ω and φ'
_diffrn_measurement_device       'Mercury CCD (2x2 bin mode)'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_device_details 'AFC7: Eulerian 3-circle'
_diffrn_detector_area_resol_mean 7.32
_diffrn_ambient_temperature      200(2)
_diffrn_source_power             10.0000
_diffrn_source_voltage           50.0000
_diffrn_source_current           200.0000

_diffrn_reflns_number            31365
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996

_diffrn_measurement_details      
;
scan:
	Number of images: 600
	           Slice: -80.0000 - 100.0000
	     Image width: 0.3000
	        Exp time: 4.0000
	   Rotation axis: Phi
	           Omega: 0.0000
	             Chi: 0.0000
	             Phi: 0.0000
	             XTD: 55.1547
	          2theta: 24.4998
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 4.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 0.0000
	             XTD: 55.1547
	          2theta: 24.4998
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 4.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 90.0000
	             XTD: 55.1547
	          2theta: 24.4998
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 4.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 180.0000
	             XTD: 55.1547
	          2theta: 24.4998
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 4.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 270.0000
	             XTD: 55.1547
	          2theta: 24.4998

;



# REFINEMENT DATA
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_reflns_number_total             9362
_reflns_number_gt                8965
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0233P)²+1.0535P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9362
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0661
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.016(5)
_chemical_absolute_configuration ad

_refine_diff_density_max         1.617
_refine_diff_density_min         -0.886
_refine_diff_density_rms         0.094

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'



# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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 0.800764(16) 0.080659(10) 0.616321(5) 0.02153(5) Uani 1 1 d . . .
Si1 Si 0.70908(15) 0.09773(8) 0.69801(4) 0.0297(3) Uani 1 1 d . . .
Cl1 Cl 0.52640(17) 0.14733(11) 0.70016(6) 0.0593(4) Uani 1 1 d . . .
Cl2 Cl 0.91980(12) 0.05741(7) 0.53373(4) 0.0322(3) Uani 1 1 d . . .
Cl3 Cl 0.97455(12) 0.01977(7) 0.66618(4) 0.0319(2) Uani 1 1 d . . .
C1 C 0.6603(5) 0.1288(3) 0.58081(17) 0.0318(11) Uani 1 1 d . . .
O1 O 0.5776(4) 0.1566(2) 0.55950(14) 0.0413(9) Uani 1 1 d . . .
P1 P 0.89461(13) 0.21349(7) 0.63372(4) 0.0241(2) Uani 1 1 d . . .
C2 C 0.8124(6) 0.1772(3) 0.73359(16) 0.0337(10) Uani 1 1 d . . .
C3 C 0.8054(8) 0.1932(4) 0.78689(18) 0.0510(14) Uani 1 1 d . . .
H3A H 0.7473 0.1616 0.8080 0.061 Uiso 1 1 calc R . .
C4 C 0.8831(8) 0.2548(4) 0.8087(2) 0.0602(18) Uani 1 1 d . . .
H4A H 0.8763 0.2656 0.8448 0.072 Uiso 1 1 calc R . .
C5 C 0.9688(7) 0.3005(4) 0.7801(2) 0.0501(15) Uani 1 1 d . . .
H5A H 1.0219 0.3420 0.7962 0.060 Uiso 1 1 calc R . .
C6 C 0.9783(6) 0.2860(3) 0.72692(18) 0.0381(12) Uani 1 1 d . . .
H6A H 1.0384 0.3173 0.7066 0.046 Uiso 1 1 calc R . .
C7 C 0.8998(5) 0.2259(3) 0.70414(16) 0.0304(10) Uani 1 1 d . . .
C8 C 1.0570(4) 0.2391(3) 0.60992(17) 0.0293(9) Uani 1 1 d . . .
C9 C 1.1562(5) 0.1814(3) 0.6155(2) 0.0452(13) Uani 1 1 d . . .
H9A H 1.1391 0.1286 0.6316 0.054 Uiso 1 1 calc R . .
C10 C 1.2808(6) 0.1992(4) 0.5979(2) 0.0531(16) Uani 1 1 d . . .
H10A H 1.3484 0.1589 0.6024 0.064 Uiso 1 1 calc R . .
C11 C 1.3071(6) 0.2755(3) 0.57395(18) 0.0417(12) Uani 1 1 d . . .
H11A H 1.3923 0.2880 0.5618 0.050 Uiso 1 1 calc R . .
C12 C 1.2084(6) 0.3327(3) 0.56802(19) 0.0455(13) Uani 1 1 d . . .
H12A H 1.2255 0.3851 0.5514 0.055 Uiso 1 1 calc R . .
C13 C 1.0836(6) 0.3155(4) 0.5859(2) 0.0419(12) Uani 1 1 d . . .
H13A H 1.0163 0.3561 0.5817 0.050 Uiso 1 1 calc R . .
C14 C 0.7901(5) 0.2990(2) 0.61144(16) 0.0276(9) Uani 1 1 d . . .
C15 C 0.7238(6) 0.3519(3) 0.6451(2) 0.0414(13) Uani 1 1 d . . .
H15A H 0.7348 0.3459 0.6814 0.050 Uiso 1 1 calc R . .
C16 C 0.6415(6) 0.4134(4) 0.6257(2) 0.0560(16) Uani 1 1 d . . .
H16A H 0.5974 0.4504 0.6487 0.067 Uiso 1 1 calc R . .
C17 C 0.6232(6) 0.4210(4) 0.5727(2) 0.0518(15) Uani 1 1 d . . .
H17A H 0.5662 0.4630 0.5594 0.062 Uiso 1 1 calc R . .
C18 C 0.6878(6) 0.3677(3) 0.53948(19) 0.0421(12) Uani 1 1 d . . .
H18A H 0.6744 0.3726 0.5032 0.051 Uiso 1 1 calc R . .
C19 C 0.7714(5) 0.3075(3) 0.55826(17) 0.0352(12) Uani 1 1 d . . .
H19A H 0.8166 0.2714 0.5350 0.042 Uiso 1 1 calc R . .
P2 P 0.69912(12) -0.05207(6) 0.62149(4) 0.0255(2) Uani 1 1 d . . .
C20 C 0.6928(6) -0.0116(3) 0.72593(16) 0.0334(10) Uani 1 1 d . . .
C21 C 0.6807(7) -0.0315(4) 0.77829(19) 0.0502(15) Uani 1 1 d . . .
H21A H 0.6788 0.0129 0.8030 0.060 Uiso 1 1 calc R . .
C22 C 0.6715(7) -0.1136(4) 0.7950(2) 0.0606(19) Uani 1 1 d . . .
H22A H 0.6642 -0.1253 0.8309 0.073 Uiso 1 1 calc R . .
C23 C 0.6729(7) -0.1782(4) 0.7603(2) 0.0621(19) Uani 1 1 d . . .
H23A H 0.6692 -0.2349 0.7722 0.074 Uiso 1 1 calc R . .
C24 C 0.6798(6) -0.1619(3) 0.7073(2) 0.0452(13) Uani 1 1 d . . .
H24A H 0.6763 -0.2069 0.6831 0.054 Uiso 1 1 calc R . .
C25 C 0.6917(5) -0.0793(3) 0.69058(15) 0.0312(9) Uani 1 1 d . . .
C26 C 0.5313(5) -0.0516(3) 0.5990(2) 0.0349(11) Uani 1 1 d . . .
C27 C 0.4251(6) -0.0599(4) 0.6327(2) 0.0491(14) Uani 1 1 d . . .
H27A H 0.4397 -0.0708 0.6684 0.059 Uiso 1 1 calc R . .
C28 C 0.2993(6) -0.0523(4) 0.6144(3) 0.0588(15) Uani 1 1 d . . .
H28A H 0.2279 -0.0596 0.6373 0.071 Uiso 1 1 calc R . .
C29 C 0.2768(6) -0.0341(4) 0.5631(3) 0.0549(16) Uani 1 1 d . . .
H29A H 0.1901 -0.0273 0.5509 0.066 Uiso 1 1 calc R . .
C30 C 0.3792(6) -0.0259(3) 0.5297(2) 0.0466(14) Uani 1 1 d . . .
H30A H 0.3629 -0.0145 0.4942 0.056 Uiso 1 1 calc R . .
C31 C 0.5061(6) -0.0338(3) 0.5468(2) 0.0377(12) Uani 1 1 d . . .
H31A H 0.5763 -0.0273 0.5231 0.045 Uiso 1 1 calc R . .
C32 C 0.7738(5) -0.1416(3) 0.58849(17) 0.0295(10) Uani 1 1 d . . .
C33 C 0.6978(7) -0.2090(3) 0.5709(2) 0.0430(12) Uani 1 1 d . . .
H33A H 0.6059 -0.2080 0.5753 0.052 Uiso 1 1 calc R . .
C34 C 0.7570(7) -0.2770(4) 0.5470(3) 0.0563(17) Uani 1 1 d . . .
H34A H 0.7053 -0.3229 0.5351 0.068 Uiso 1 1 calc R . .
C35 C 0.8913(7) -0.2791(4) 0.5400(3) 0.0565(17) Uani 1 1 d . . .
H35A H 0.9313 -0.3262 0.5237 0.068 Uiso 1 1 calc R . .
C36 C 0.9666(6) -0.2117(4) 0.5572(2) 0.0434(13) Uani 1 1 d . . .
H36A H 1.0584 -0.2125 0.5524 0.052 Uiso 1 1 calc R . .
C37 C 0.9080(6) -0.1431(3) 0.58139(17) 0.0343(11) Uani 1 1 d . . .
H37A H 0.9598 -0.0972 0.5931 0.041 Uiso 1 1 calc R . .
C38 C 0.3224(9) 0.6072(5) 0.5551(2) 0.086(3) Uani 1 1 d . . .
H38A H 0.3096 0.6571 0.5327 0.103 Uiso 1 1 calc R . .
H38B H 0.3513 0.5598 0.5330 0.103 Uiso 1 1 calc R . .
Cl4 Cl 0.4445(3) 0.62958(17) 0.60105(9) 0.1014(8) Uani 1 1 d . . .
Cl5 Cl 0.1753(2) 0.58088(17) 0.58398(6) 0.0856(6) Uani 1 1 d . . .
C39 C 0.8845(11) 0.5593(10) 0.7105(4) 0.135(5) Uani 1 1 d . . .
H39A H 0.9453 0.5934 0.7316 0.161 Uiso 0.50 1 calc PR A 1
H39B H 0.9277 0.5054 0.7016 0.161 Uiso 0.50 1 calc PR A 1
H39C H 0.9164 0.6173 0.7037 0.161 Uiso 0.25 1 calc PR A 2
H39D H 0.9266 0.5428 0.7434 0.161 Uiso 0.25 1 calc PR A 2
H39E H 0.9117 0.5013 0.7199 0.161 Uiso 0.25 1 calc PR A 3
H39F H 0.9451 0.6000 0.7268 0.161 Uiso 0.25 1 calc PR A 3
Cl6 Cl 0.7429(6) 0.5399(6) 0.74496(16) 0.114(3) Uani 0.50 1 d P B 1
Cl7 Cl 0.8440(11) 0.6132(5) 0.6548(3) 0.109(3) Uani 0.50 1 d P B 1
Cl8A Cl 0.7327(14) 0.5774(12) 0.7294(7) 0.319(12) Uani 0.25 1 d P B 2
Cl9A Cl 0.9627(16) 0.5077(8) 0.6709(8) 0.151(6) Uani 0.25 1 d P B 2
Cl8B Cl 0.7327(14) 0.5774(12) 0.7294(7) 0.319(12) Uani 0.25 1 d P B 3
Cl9B Cl 0.883(2) 0.5716(15) 0.6459(5) 0.135(10) Uani 0.25 1 d P B 3




# MOLECULAR GEOMETRY
_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C1 1.871(6) . ?
Ir1 Si1 2.3261(11) . ?
Ir1 P2 2.3504(11) . ?
Ir1 P1 2.3568(12) . ?
Ir1 Cl3 2.4023(12) . ?
Ir1 Cl2 2.4859(10) . ?
Si1 C20 1.883(5) . ?
Si1 C2 1.885(5) . ?
Si1 Cl1 2.034(2) . ?
C1 O1 1.103(6) . ?
P1 C14 1.821(4) . ?
P1 C8 1.823(5) . ?
P1 C7 1.830(4) . ?
C2 C3 1.402(6) . ?
C2 C7 1.407(7) . ?
C3 C4 1.380(9) . ?
C3 H3A 0.9500 . ?
C4 C5 1.357(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.397(7) . ?
C5 H5A 0.9500 . ?
C6 C7 1.378(7) . ?
C6 H6A 0.9500 . ?
C8 C9 1.375(7) . ?
C8 C13 1.387(7) . ?
C9 C10 1.386(8) . ?
C9 H9A 0.9500 . ?
C10 C11 1.385(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.367(9) . ?
C11 H11A 0.9500 . ?
C12 C13 1.390(8) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.385(7) . ?
C14 C19 1.393(6) . ?
C15 C16 1.383(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.388(8) . ?
C16 H16A 0.9500 . ?
C17 C18 1.374(8) . ?
C17 H17A 0.9500 . ?
C18 C19 1.372(7) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
P2 C26 1.818(5) . ?
P2 C32 1.823(5) . ?
P2 C25 1.838(4) . ?
C20 C21 1.394(6) . ?
C20 C25 1.409(6) . ?
C21 C22 1.373(8) . ?
C21 H21A 0.9500 . ?
C22 C23 1.360(9) . ?
C22 H22A 0.9500 . ?
C23 C24 1.394(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.383(7) . ?
C24 H24A 0.9500 . ?
C26 C31 1.402(7) . ?
C26 C27 1.402(8) . ?
C27 C28 1.380(9) . ?
C27 H27A 0.9500 . ?
C28 C29 1.376(9) . ?
C28 H28A 0.9500 . ?
C29 C30 1.366(9) . ?
C29 H29A 0.9500 . ?
C30 C31 1.381(8) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C37 1.390(8) . ?
C32 C33 1.399(7) . ?
C33 C34 1.383(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.391(10) . ?
C34 H34A 0.9500 . ?
C35 C36 1.391(9) . ?
C35 H35A 0.9500 . ?
C36 C37 1.390(7) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 Cl5 1.734(9) . ?
C38 Cl4 1.762(9) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 Cl9A 1.536(17) . ?
C39 Cl8A 1.658(16) . ?
C39 Cl9B 1.678(17) . ?
C39 Cl7 1.723(13) . ?
C39 Cl6 1.732(13) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 H39C 0.9900 . ?
C39 H39D 0.9900 . ?
C39 H39E 0.9900 . ?
C39 H39F 0.9900 . ?

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
C1 Ir1 Si1 94.90(14) . . ?
C1 Ir1 P2 92.89(14) . . ?
Si1 Ir1 P2 82.69(4) . . ?
C1 Ir1 P1 92.55(14) . . ?
Si1 Ir1 P1 83.61(4) . . ?
P2 Ir1 P1 165.64(4) . . ?
C1 Ir1 Cl3 176.90(14) . . ?
Si1 Ir1 Cl3 82.00(4) . . ?
P2 Ir1 Cl3 86.58(4) . . ?
P1 Ir1 Cl3 87.27(4) . . ?
C1 Ir1 Cl2 91.06(14) . . ?
Si1 Ir1 Cl2 174.00(5) . . ?
P2 Ir1 Cl2 97.73(4) . . ?
P1 Ir1 Cl2 95.45(4) . . ?
Cl3 Ir1 Cl2 92.04(4) . . ?
C20 Si1 C2 118.5(2) . . ?
C20 Si1 Cl1 105.2(2) . . ?
C2 Si1 Cl1 104.33(18) . . ?
C20 Si1 Ir1 106.06(15) . . ?
C2 Si1 Ir1 106.99(16) . . ?
Cl1 Si1 Ir1 116.28(7) . . ?
O1 C1 Ir1 179.2(4) . . ?
C14 P1 C8 105.5(2) . . ?
C14 P1 C7 104.6(2) . . ?
C8 P1 C7 106.5(2) . . ?
C14 P1 Ir1 111.25(15) . . ?
C8 P1 Ir1 120.53(16) . . ?
C7 P1 Ir1 107.31(16) . . ?
C3 C2 C7 117.7(5) . . ?
C3 C2 Si1 124.8(4) . . ?
C7 C2 Si1 117.5(3) . . ?
C4 C3 C2 119.9(6) . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C5 C4 C3 122.0(5) . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 H4A 119.0 . . ?
C4 C5 C6 119.5(5) . . ?
C4 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
C7 C6 C5 119.5(5) . . ?
C7 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C6 C7 C2 121.3(4) . . ?
C6 C7 P1 121.0(4) . . ?
C2 C7 P1 117.4(4) . . ?
C9 C8 C13 118.8(5) . . ?
C9 C8 P1 119.6(4) . . ?
C13 C8 P1 121.6(4) . . ?
C8 C9 C10 120.9(5) . . ?
C8 C9 H9A 119.5 . . ?
C10 C9 H9A 119.5 . . ?
C11 C10 C9 120.3(6) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C12 C11 C10 118.9(5) . . ?
C12 C11 H11A 120.5 . . ?
C10 C11 H11A 120.5 . . ?
C11 C12 C13 121.1(5) . . ?
C11 C12 H12A 119.5 . . ?
C13 C12 H12A 119.5 . . ?
C8 C13 C12 120.1(5) . . ?
C8 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C15 C14 C19 119.5(4) . . ?
C15 C14 P1 122.7(4) . . ?
C19 C14 P1 117.7(3) . . ?
C16 C15 C14 119.9(5) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C17 120.0(5) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C18 C17 C16 119.8(5) . . ?
C18 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
C19 C18 C17 120.6(5) . . ?
C19 C18 H18A 119.7 . . ?
C17 C18 H18A 119.7 . . ?
C18 C19 C14 120.1(5) . . ?
C18 C19 H19A 119.9 . . ?
C14 C19 H19A 119.9 . . ?
C26 P2 C32 104.6(2) . . ?
C26 P2 C25 105.8(2) . . ?
C32 P2 C25 106.8(2) . . ?
C26 P2 Ir1 113.49(17) . . ?
C32 P2 Ir1 118.81(16) . . ?
C25 P2 Ir1 106.47(16) . . ?
C21 C20 C25 117.1(4) . . ?
C21 C20 Si1 126.0(4) . . ?
C25 C20 Si1 116.9(3) . . ?
C22 C21 C20 121.6(6) . . ?
C22 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
C23 C22 C21 120.4(5) . . ?
C23 C22 H22A 119.8 . . ?
C21 C22 H22A 119.8 . . ?
C22 C23 C24 120.5(5) . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 H23A 119.8 . . ?
C25 C24 C23 119.2(5) . . ?
C25 C24 H24A 120.4 . . ?
C23 C24 H24A 120.4 . . ?
C24 C25 C20 121.2(4) . . ?
C24 C25 P2 122.0(4) . . ?
C20 C25 P2 116.8(3) . . ?
C31 C26 C27 118.2(5) . . ?
C31 C26 P2 118.9(4) . . ?
C27 C26 P2 122.5(4) . . ?
C28 C27 C26 120.4(6) . . ?
C28 C27 H27A 119.8 . . ?
C26 C27 H27A 119.8 . . ?
C29 C28 C27 120.4(6) . . ?
C29 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C30 C29 C28 119.9(5) . . ?
C30 C29 H29A 120.0 . . ?
C28 C29 H29A 120.0 . . ?
C29 C30 C31 121.0(5) . . ?
C29 C30 H30A 119.5 . . ?
C31 C30 H30A 119.5 . . ?
C30 C31 C26 120.0(5) . . ?
C30 C31 H31A 120.0 . . ?
C26 C31 H31A 120.0 . . ?
C37 C32 C33 119.8(5) . . ?
C37 C32 P2 119.5(4) . . ?
C33 C32 P2 120.7(4) . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 H33A 120.2 . . ?
C32 C33 H33A 120.2 . . ?
C33 C34 C35 120.8(6) . . ?
C33 C34 H34A 119.6 . . ?
C35 C34 H34A 119.6 . . ?
C36 C35 C34 119.4(6) . . ?
C36 C35 H35A 120.3 . . ?
C34 C35 H35A 120.3 . . ?
C37 C36 C35 120.2(6) . . ?
C37 C36 H36A 119.9 . . ?
C35 C36 H36A 119.9 . . ?
C36 C37 C32 120.2(5) . . ?
C36 C37 H37A 119.9 . . ?
C32 C37 H37A 119.9 . . ?
Cl5 C38 Cl4 112.2(3) . . ?
Cl5 C38 H38A 109.2 . . ?
Cl4 C38 H38A 109.2 . . ?
Cl5 C38 H38B 109.2 . . ?
Cl4 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
Cl9A C39 Cl8A 141.2(12) . . ?
Cl9A C39 Cl9B 53.5(10) . . ?
Cl8A C39 Cl9B 105.3(12) . . ?
Cl9A C39 Cl7 80.5(9) . . ?
Cl8A C39 Cl7 86.2(10) . . ?
Cl9B C39 Cl7 27.3(9) . . ?
Cl9A C39 Cl6 133.4(11) . . ?
Cl8A C39 Cl6 24.6(9) . . ?
Cl9B C39 Cl6 121.6(9) . . ?
Cl7 C39 Cl6 108.3(8) . . ?
Cl9A C39 H39A 109.1 . . ?
Cl8A C39 H39A 109.7 . . ?
Cl9B C39 H39A 119.4 . . ?
Cl7 C39 H39A 110.0 . . ?
Cl6 C39 H39A 110.0 . . ?
Cl9A C39 H39B 31.9 . . ?
Cl8A C39 H39B 129.7 . . ?
Cl9B C39 H39B 82.7 . . ?
Cl7 C39 H39B 110.0 . . ?
Cl6 C39 H39B 110.0 . . ?
H39A C39 H39B 108.4 . . ?
Cl9A C39 H39C 101.7 . . ?
Cl8A C39 H39C 101.7 . . ?
Cl9B C39 H39C 73.7 . . ?
Cl7 C39 H39C 58.2 . . ?
Cl6 C39 H39C 122.2 . . ?
H39A C39 H39C 52.0 . . ?
H39B C39 H39C 127.7 . . ?
Cl9A C39 H39D 101.7 . . ?
Cl8A C39 H39D 101.7 . . ?
Cl9B C39 H39D 152.7 . . ?
Cl7 C39 H39D 162.5 . . ?
Cl6 C39 H39D 83.0 . . ?
H39A C39 H39D 52.7 . . ?
H39B C39 H39D 77.0 . . ?
H39C C39 H39D 104.7 . . ?
Cl9A C39 H39E 61.4 . . ?
Cl8A C39 H39E 110.7 . . ?
Cl9B C39 H39E 110.7 . . ?
Cl7 C39 H39E 137.1 . . ?
Cl6 C39 H39E 86.9 . . ?
H39A C39 H39E 101.1 . . ?
H39B C39 H39E 29.5 . . ?
H39C C39 H39E 144.1 . . ?
H39D C39 H39E 54.6 . . ?
Cl9A C39 H39F 107.5 . . ?
Cl8A C39 H39F 110.7 . . ?
Cl9B C39 H39F 110.7 . . ?
Cl7 C39 H39F 100.6 . . ?
Cl6 C39 H39F 115.1 . . ?
H39A C39 H39F 9.5 . . ?
H39B C39 H39F 112.3 . . ?
H39C C39 H39F 42.6 . . ?
H39D C39 H39F 62.1 . . ?
H39E C39 H39F 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ir1 Si1 C20 119.4(2) . . . . ?
P2 Ir1 Si1 C20 27.13(19) . . . . ?
P1 Ir1 Si1 C20 -148.5(2) . . . . ?
Cl3 Ir1 Si1 C20 -60.42(19) . . . . ?
Cl2 Ir1 Si1 C20 -67.3(5) . . . . ?
C1 Ir1 Si1 C2 -113.2(2) . . . . ?
P2 Ir1 Si1 C2 154.53(17) . . . . ?
P1 Ir1 Si1 C2 -21.15(17) . . . . ?
Cl3 Ir1 Si1 C2 66.98(17) . . . . ?
Cl2 Ir1 Si1 C2 60.1(4) . . . . ?
C1 Ir1 Si1 Cl1 2.89(16) . . . . ?
P2 Ir1 Si1 Cl1 -89.41(8) . . . . ?
P1 Ir1 Si1 Cl1 94.91(8) . . . . ?
Cl3 Ir1 Si1 Cl1 -176.96(9) . . . . ?
Cl2 Ir1 Si1 Cl1 176.2(4) . . . . ?
Si1 Ir1 C1 O1 -135(40) . . . . ?
P2 Ir1 C1 O1 -52(40) . . . . ?
P1 Ir1 C1 O1 141(40) . . . . ?
Cl3 Ir1 C1 O1 -132(39) . . . . ?
Cl2 Ir1 C1 O1 46(40) . . . . ?
C1 Ir1 P1 C14 4.5(2) . . . . ?
Si1 Ir1 P1 C14 -90.14(15) . . . . ?
P2 Ir1 P1 C14 -107.7(2) . . . . ?
Cl3 Ir1 P1 C14 -172.39(15) . . . . ?
Cl2 Ir1 P1 C14 95.82(15) . . . . ?
C1 Ir1 P1 C8 -119.7(2) . . . . ?
Si1 Ir1 P1 C8 145.66(17) . . . . ?
P2 Ir1 P1 C8 128.1(2) . . . . ?
Cl3 Ir1 P1 C8 63.41(17) . . . . ?
Cl2 Ir1 P1 C8 -28.38(17) . . . . ?
C1 Ir1 P1 C7 118.3(2) . . . . ?
Si1 Ir1 P1 C7 23.68(18) . . . . ?
P2 Ir1 P1 C7 6.1(3) . . . . ?
Cl3 Ir1 P1 C7 -58.57(18) . . . . ?
Cl2 Ir1 P1 C7 -150.37(18) . . . . ?
C20 Si1 C2 C3 -47.5(6) . . . . ?
Cl1 Si1 C2 C3 69.0(5) . . . . ?
Ir1 Si1 C2 C3 -167.2(5) . . . . ?
C20 Si1 C2 C7 134.6(4) . . . . ?
Cl1 Si1 C2 C7 -108.8(4) . . . . ?
Ir1 Si1 C2 C7 14.9(4) . . . . ?
C7 C2 C3 C4 -0.1(9) . . . . ?
Si1 C2 C3 C4 -178.0(5) . . . . ?
C2 C3 C4 C5 -1.0(11) . . . . ?
C3 C4 C5 C6 0.8(11) . . . . ?
C4 C5 C6 C7 0.5(9) . . . . ?
C5 C6 C7 C2 -1.6(8) . . . . ?
C5 C6 C7 P1 172.6(5) . . . . ?
C3 C2 C7 C6 1.4(8) . . . . ?
Si1 C2 C7 C6 179.5(4) . . . . ?
C3 C2 C7 P1 -173.0(5) . . . . ?
Si1 C2 C7 P1 5.1(6) . . . . ?
C14 P1 C7 C6 -78.6(5) . . . . ?
C8 P1 C7 C6 32.8(5) . . . . ?
Ir1 P1 C7 C6 163.1(4) . . . . ?
C14 P1 C7 C2 95.8(4) . . . . ?
C8 P1 C7 C2 -152.8(4) . . . . ?
Ir1 P1 C7 C2 -22.4(4) . . . . ?
C14 P1 C8 C9 -172.8(4) . . . . ?
C7 P1 C8 C9 76.5(5) . . . . ?
Ir1 P1 C8 C9 -45.9(5) . . . . ?
C14 P1 C8 C13 6.9(5) . . . . ?
C7 P1 C8 C13 -103.9(4) . . . . ?
Ir1 P1 C8 C13 133.8(4) . . . . ?
C13 C8 C9 C10 0.6(9) . . . . ?
P1 C8 C9 C10 -179.8(5) . . . . ?
C8 C9 C10 C11 -0.6(10) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C10 C11 C12 C13 0.4(8) . . . . ?
C9 C8 C13 C12 0.0(8) . . . . ?
P1 C8 C13 C12 -179.7(4) . . . . ?
C11 C12 C13 C8 -0.5(8) . . . . ?
C8 P1 C14 C15 -118.1(4) . . . . ?
C7 P1 C14 C15 -6.0(5) . . . . ?
Ir1 P1 C14 C15 109.5(4) . . . . ?
C8 P1 C14 C19 65.6(4) . . . . ?
C7 P1 C14 C19 177.8(4) . . . . ?
Ir1 P1 C14 C19 -66.7(4) . . . . ?
C19 C14 C15 C16 -1.1(8) . . . . ?
P1 C14 C15 C16 -177.2(5) . . . . ?
C14 C15 C16 C17 1.3(9) . . . . ?
C15 C16 C17 C18 -0.4(10) . . . . ?
C16 C17 C18 C19 -0.7(10) . . . . ?
C17 C18 C19 C14 1.0(9) . . . . ?
C15 C14 C19 C18 -0.1(8) . . . . ?
P1 C14 C19 C18 176.3(4) . . . . ?
C1 Ir1 P2 C26 -7.3(2) . . . . ?
Si1 Ir1 P2 C26 87.29(18) . . . . ?
P1 Ir1 P2 C26 104.9(2) . . . . ?
Cl3 Ir1 P2 C26 169.65(18) . . . . ?
Cl2 Ir1 P2 C26 -98.75(18) . . . . ?
C1 Ir1 P2 C32 116.3(2) . . . . ?
Si1 Ir1 P2 C32 -149.13(18) . . . . ?
P1 Ir1 P2 C32 -131.6(2) . . . . ?
Cl3 Ir1 P2 C32 -66.77(18) . . . . ?
Cl2 Ir1 P2 C32 24.83(18) . . . . ?
C1 Ir1 P2 C25 -123.3(2) . . . . ?
Si1 Ir1 P2 C25 -28.68(17) . . . . ?
P1 Ir1 P2 C25 -11.1(3) . . . . ?
Cl3 Ir1 P2 C25 53.68(17) . . . . ?
Cl2 Ir1 P2 C25 145.28(17) . . . . ?
C2 Si1 C20 C21 39.0(7) . . . . ?
Cl1 Si1 C20 C21 -77.0(6) . . . . ?
Ir1 Si1 C20 C21 159.2(5) . . . . ?
C2 Si1 C20 C25 -141.5(4) . . . . ?
Cl1 Si1 C20 C25 102.5(4) . . . . ?
Ir1 Si1 C20 C25 -21.3(5) . . . . ?
C25 C20 C21 C22 1.7(10) . . . . ?
Si1 C20 C21 C22 -178.9(6) . . . . ?
C20 C21 C22 C23 -0.6(12) . . . . ?
C21 C22 C23 C24 -1.9(12) . . . . ?
C22 C23 C24 C25 3.2(11) . . . . ?
C23 C24 C25 C20 -2.1(9) . . . . ?
C23 C24 C25 P2 -179.2(5) . . . . ?
C21 C20 C25 C24 -0.3(8) . . . . ?
Si1 C20 C25 C24 -179.9(5) . . . . ?
C21 C20 C25 P2 176.9(5) . . . . ?
Si1 C20 C25 P2 -2.6(6) . . . . ?
C26 P2 C25 C24 81.3(5) . . . . ?
C32 P2 C25 C24 -29.8(5) . . . . ?
Ir1 P2 C25 C24 -157.7(4) . . . . ?
C26 P2 C25 C20 -96.0(4) . . . . ?
C32 P2 C25 C20 153.0(4) . . . . ?
Ir1 P2 C25 C20 25.1(4) . . . . ?
C32 P2 C26 C31 -66.5(4) . . . . ?
C25 P2 C26 C31 -179.1(4) . . . . ?
Ir1 P2 C26 C31 64.6(4) . . . . ?
C32 P2 C26 C27 120.1(5) . . . . ?
C25 P2 C26 C27 7.5(5) . . . . ?
Ir1 P2 C26 C27 -108.9(5) . . . . ?
C31 C26 C27 C28 1.2(9) . . . . ?
P2 C26 C27 C28 174.7(5) . . . . ?
C26 C27 C28 C29 -1.8(10) . . . . ?
C27 C28 C29 C30 1.9(9) . . . . ?
C28 C29 C30 C31 -1.3(9) . . . . ?
C29 C30 C31 C26 0.7(8) . . . . ?
C27 C26 C31 C30 -0.7(8) . . . . ?
P2 C26 C31 C30 -174.4(4) . . . . ?
C26 P2 C32 C37 156.6(4) . . . . ?
C25 P2 C32 C37 -91.6(4) . . . . ?
Ir1 P2 C32 C37 28.7(4) . . . . ?
C26 P2 C32 C33 -24.3(5) . . . . ?
C25 P2 C32 C33 87.6(4) . . . . ?
Ir1 P2 C32 C33 -152.1(3) . . . . ?
C37 C32 C33 C34 0.6(8) . . . . ?
P2 C32 C33 C34 -178.6(4) . . . . ?
C32 C33 C34 C35 -0.2(10) . . . . ?
C33 C34 C35 C36 -0.3(11) . . . . ?
C34 C35 C36 C37 0.5(10) . . . . ?
C35 C36 C37 C32 -0.1(8) . . . . ?
C33 C32 C37 C36 -0.4(7) . . . . ?
P2 C32 C37 C36 178.8(4) . . . . ?
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/Hexane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_IrGeCl3
_database_code_depnum_ccdc_archive 'CCDC 1444519'
_audit_update_record             
;
2015-12-28 deposited with the CCDC.
2016-02-19 downloaded from the CCDC.
;


# CHEMICAL DATA
_chemical_formula_moiety         'C37 H28 Cl3 Ge Ir O P2, C H2 Cl2'
_chemical_formula_sum            'C38 H30 Cl5 Ge Ir O P2'
_chemical_formula_weight         1006.60

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'
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'
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'


# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.3353(9)
_cell_length_b                   22.6480(9)
_cell_length_c                   18.5245(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.286(2)
_cell_angle_gamma                90.00
_cell_volume                     7568.8(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    13932
_cell_measurement_theta_min      2.1173
_cell_measurement_theta_max      27.4855

_exptl_crystal_preparation       
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_description       Platelet
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3920
_exptl_absorpt_coefficient_mu    4.775
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2575
_exptl_absorpt_correction_T_max  0.8320
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_special_details           ?


# EXPERIMENTAL DATA
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_detector       CCD
_diffrn_measurement_method       'ω and φ'
_diffrn_measurement_device       'Mercury CCD (2x2 bin mode)'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_device_details 'AFC7: Eulerian 3-circle'
_diffrn_detector_area_resol_mean 7.32
_diffrn_ambient_temperature      200(2)
_diffrn_source_power             3.2000
_diffrn_source_voltage           40.0000
_diffrn_source_current           80.0000

_diffrn_reflns_number            52411
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0700
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_min         2.26
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.994

_diffrn_measurement_details      
;
scan:
	Number of images: 600
	           Slice: -80.0000 - 100.000
	     Image width: 0.3000
	        Exp time: 8.0000
	   Rotation axis: Phi
	           Omega: 0.0000
	             Chi: 0.0000
	             Phi: 0.0000
	             XTD: 55.0096
	          2theta: 24.7185
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 0.0000
	             XTD: 55.0096
	          2theta: 24.7185
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 90.0000
	             XTD: 55.0096
	          2theta: 24.7185
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 180.0000
	             XTD: 55.0096
	          2theta: 24.7185
scan:
	Number of images: 200
	           Slice: -15.0000 - 45.0000
	     Image width: 0.3000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 90.0000
	             Phi: 270.0000
	             XTD: 55.0096
	          2theta: 24.7185

;


# REFINEMENT DATA
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_reflns_number_total             14733
_reflns_number_gt                11943
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0015P)²+28.8537P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14733
_refine_ls_number_parameters     865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_ref         0.1052
_refine_ls_wR_factor_gt          0.0969
_refine_ls_goodness_of_fit_ref   1.249
_refine_ls_restrained_S_all      1.249
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

_refine_diff_density_max         1.933
_refine_diff_density_min         -2.169
_refine_diff_density_rms         0.171

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97



# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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 0.307391(19) 0.708113(12) 0.228926(16) 0.02737(9) Uani 1 1 d . . .
Ge1 Ge 0.18443(5) 0.70507(4) 0.25436(5) 0.0340(2) Uani 1 1 d . . .
Cl1 Cl 0.23701(12) 0.70636(8) 0.10602(10) 0.0336(5) Uani 1 1 d . . .
Cl2 Cl 0.42607(11) 0.70925(8) 0.18450(11) 0.0315(4) Uani 1 1 d . . .
C1 C 0.3560(5) 0.7096(3) 0.3259(5) 0.035(2) Uani 1 1 d . . .
O1 O 0.3842(4) 0.7115(3) 0.3841(3) 0.0517(18) Uani 1 1 d . . .
Cl3 Cl 0.17005(18) 0.70498(11) 0.36880(14) 0.0648(8) Uani 1 1 d . . .
P1 P 0.29695(13) 0.60452(8) 0.22913(10) 0.0292(5) Uani 1 1 d . . .
C2 C 0.1455(5) 0.6293(3) 0.2167(5) 0.037(2) Uani 1 1 d . . .
C3 C 0.0709(6) 0.6145(4) 0.1984(5) 0.047(2) Uani 1 1 d . . .
H3A H 0.0346 0.6428 0.2054 0.056 Uiso 1 1 calc R . .
C4 C 0.0479(6) 0.5592(4) 0.1702(5) 0.047(2) Uani 1 1 d . . .
H4A H -0.0034 0.5502 0.1573 0.057 Uiso 1 1 calc R . .
C5 C 0.1012(6) 0.5172(4) 0.1611(5) 0.049(3) Uani 1 1 d . . .
H5A H 0.0865 0.4790 0.1430 0.059 Uiso 1 1 calc R . .
C6 C 0.1749(6) 0.5315(4) 0.1784(5) 0.044(2) Uani 1 1 d . . .
H6A H 0.2108 0.5029 0.1714 0.052 Uiso 1 1 calc R . .
C7 C 0.1983(5) 0.5862(3) 0.2058(4) 0.035(2) Uani 1 1 d . . .
C8 C 0.3292(5) 0.5731(3) 0.3193(4) 0.0334(19) Uani 1 1 d . . .
C9 C 0.2794(6) 0.5516(4) 0.3621(4) 0.046(2) Uani 1 1 d . . .
H9A H 0.2277 0.5513 0.3433 0.055 Uiso 1 1 calc R . .
C10 C 0.3064(7) 0.5308(4) 0.4326(5) 0.056(3) Uani 1 1 d . . .
H10A H 0.2728 0.5159 0.4616 0.067 Uiso 1 1 calc R . .
C11 C 0.3798(7) 0.5316(4) 0.4601(5) 0.055(3) Uani 1 1 d . . .
H11A H 0.3974 0.5167 0.5080 0.066 Uiso 1 1 calc R . .
C12 C 0.4286(6) 0.5538(4) 0.4197(5) 0.050(3) Uani 1 1 d . . .
H12A H 0.4799 0.5552 0.4403 0.060 Uiso 1 1 calc R . .
C13 C 0.4045(6) 0.5744(4) 0.3484(5) 0.043(2) Uani 1 1 d . . .
H13A H 0.4391 0.5892 0.3203 0.052 Uiso 1 1 calc R . .
C14 C 0.3419(5) 0.5606(3) 0.1676(4) 0.0333(19) Uani 1 1 d . . .
C15 C 0.3398(6) 0.5786(4) 0.0967(4) 0.046(3) Uani 1 1 d . . .
H15A H 0.3154 0.6145 0.0805 0.056 Uiso 1 1 calc R . .
C16 C 0.3722(7) 0.5458(4) 0.0481(5) 0.056(3) Uani 1 1 d . . .
H16A H 0.3713 0.5596 -0.0005 0.068 Uiso 1 1 calc R . .
C17 C 0.4059(6) 0.4932(4) 0.0705(5) 0.052(3) Uani 1 1 d . . .
H17A H 0.4274 0.4699 0.0371 0.063 Uiso 1 1 calc R . .
C18 C 0.4082(6) 0.4743(4) 0.1411(5) 0.057(3) Uani 1 1 d . . .
H18A H 0.4315 0.4378 0.1568 0.068 Uiso 1 1 calc R . .
C19 C 0.3768(6) 0.5083(4) 0.1897(5) 0.053(3) Uani 1 1 d . . .
H19A H 0.3795 0.4953 0.2389 0.064 Uiso 1 1 calc R . .
P2 P 0.28579(13) 0.81072(8) 0.22646(11) 0.0278(5) Uani 1 1 d . . .
C20 C 0.1381(5) 0.7782(3) 0.2150(5) 0.037(2) Uani 1 1 d . . .
C21 C 0.0620(6) 0.7895(4) 0.2024(6) 0.052(3) Uani 1 1 d . . .
H21A H 0.0288 0.7600 0.2133 0.062 Uiso 1 1 calc R . .
C22 C 0.0340(6) 0.8435(4) 0.1739(6) 0.056(3) Uani 1 1 d . . .
H22A H -0.0180 0.8501 0.1639 0.067 Uiso 1 1 calc R . .
C23 C 0.0819(5) 0.8874(4) 0.1603(5) 0.044(2) Uani 1 1 d . . .
H23A H 0.0630 0.9246 0.1421 0.052 Uiso 1 1 calc R . .
C24 C 0.1571(5) 0.8770(4) 0.1731(4) 0.037(2) Uani 1 1 d . . .
H24A H 0.1899 0.9070 0.1627 0.044 Uiso 1 1 calc R . .
C25 C 0.1857(5) 0.8225(3) 0.2012(4) 0.0305(18) Uani 1 1 d . . .
C26 C 0.3083(5) 0.8440(3) 0.3162(4) 0.035(2) Uani 1 1 d . . .
C27 C 0.2540(6) 0.8670(4) 0.3525(4) 0.049(3) Uani 1 1 d . . .
H27A H 0.2035 0.8670 0.3291 0.059 Uiso 1 1 calc R . .
C28 C 0.2743(7) 0.8899(4) 0.4230(5) 0.059(3) Uani 1 1 d . . .
H28A H 0.2375 0.9059 0.4475 0.070 Uiso 1 1 calc R . .
C29 C 0.3470(8) 0.8895(4) 0.4572(5) 0.067(4) Uani 1 1 d . . .
H29A H 0.3599 0.9044 0.5057 0.081 Uiso 1 1 calc R . .
C30 C 0.4013(7) 0.8680(4) 0.4226(5) 0.059(3) Uani 1 1 d . . .
H30A H 0.4515 0.8683 0.4468 0.070 Uiso 1 1 calc R . .
C31 C 0.3823(6) 0.8454(4) 0.3512(5) 0.047(2) Uani 1 1 d . . .
H31A H 0.4200 0.8310 0.3265 0.057 Uiso 1 1 calc R . .
C32 C 0.3282(5) 0.8560(3) 0.1652(4) 0.0313(19) Uani 1 1 d . . .
C33 C 0.3383(6) 0.8341(4) 0.0979(5) 0.049(3) Uani 1 1 d . . .
H33A H 0.3242 0.7947 0.0845 0.059 Uiso 1 1 calc R . .
C34 C 0.3688(7) 0.8691(5) 0.0502(6) 0.068(4) Uani 1 1 d . . .
H34A H 0.3765 0.8534 0.0046 0.081 Uiso 1 1 calc R . .
C35 C 0.3881(6) 0.9264(4) 0.0684(6) 0.061(3) Uani 1 1 d . . .
H35A H 0.4075 0.9507 0.0346 0.073 Uiso 1 1 calc R . .
C36 C 0.3794(6) 0.9486(4) 0.1351(5) 0.053(3) Uani 1 1 d . . .
H36A H 0.3941 0.9879 0.1481 0.063 Uiso 1 1 calc R . .
C37 C 0.3494(5) 0.9140(3) 0.1833(5) 0.041(2) Uani 1 1 d . . .
H37A H 0.3431 0.9297 0.2293 0.049 Uiso 1 1 calc R . .
Ir2 Ir 0.685442(18) 0.483305(12) 0.274160(15) 0.02625(8) Uani 1 1 d . . .
Ge2 Ge 0.80412(5) 0.49037(3) 0.23973(5) 0.0309(2) Uani 1 1 d . . .
Cl4 Cl 0.76420(12) 0.48153(8) 0.39304(10) 0.0334(5) Uani 1 1 d . . .
Cl5 Cl 0.57149(11) 0.47996(8) 0.32644(10) 0.0318(4) Uani 1 1 d . . .
C38 C 0.6322(5) 0.4842(3) 0.1799(4) 0.0312(19) Uani 1 1 d . . .
O2 O 0.6006(4) 0.4843(2) 0.1218(3) 0.0475(17) Uani 1 1 d . . .
Cl6 Cl 0.80326(17) 0.50507(11) 0.12255(13) 0.0599(7) Uani 1 1 d . . .
P3 P 0.70683(12) 0.38118(8) 0.26940(10) 0.0264(4) Uani 1 1 d . . .
C39 C 0.8520(5) 0.4149(3) 0.2634(5) 0.036(2) Uani 1 1 d . . .
C40 C 0.9276(5) 0.4032(4) 0.2671(5) 0.045(2) Uani 1 1 d . . .
H40A H 0.9596 0.4338 0.2565 0.054 Uiso 1 1 calc R . .
C41 C 0.9563(6) 0.3476(4) 0.2861(6) 0.053(3) Uani 1 1 d . . .
H41A H 1.0078 0.3406 0.2892 0.064 Uiso 1 1 calc R . .
C42 C 0.9113(5) 0.3030(4) 0.3003(5) 0.044(2) Uani 1 1 d . . .
H42A H 0.9316 0.2650 0.3129 0.053 Uiso 1 1 calc R . .
C43 C 0.8365(5) 0.3126(3) 0.2966(5) 0.040(2) Uani 1 1 d . . .
H43A H 0.8051 0.2814 0.3066 0.048 Uiso 1 1 calc R . .
C44 C 0.8071(5) 0.3691(3) 0.2777(4) 0.0295(18) Uani 1 1 d . . .
C45 C 0.6676(5) 0.3490(3) 0.1801(4) 0.0305(18) Uani 1 1 d . . .
C46 C 0.7105(6) 0.3301(3) 0.1313(4) 0.043(2) Uani 1 1 d . . .
H46A H 0.7630 0.3314 0.1446 0.052 Uiso 1 1 calc R . .
C47 C 0.6785(7) 0.3089(4) 0.0626(5) 0.056(3) Uani 1 1 d . . .
H47A H 0.7088 0.2955 0.0294 0.068 Uiso 1 1 calc R . .
C48 C 0.6037(8) 0.3075(4) 0.0432(5) 0.067(4) Uani 1 1 d . . .
H48A H 0.5814 0.2935 -0.0039 0.080 Uiso 1 1 calc R . .
C49 C 0.5593(7) 0.3266(4) 0.0922(6) 0.063(3) Uani 1 1 d . . .
H49A H 0.5069 0.3254 0.0788 0.076 Uiso 1 1 calc R . .
C50 C 0.5916(5) 0.3470(4) 0.1593(5) 0.044(2) Uani 1 1 d . . .
H50A H 0.5612 0.3601 0.1925 0.053 Uiso 1 1 calc R . .
C51 C 0.6745(5) 0.3327(3) 0.3346(4) 0.0327(19) Uani 1 1 d . . .
C52 C 0.6732(6) 0.3527(4) 0.4049(4) 0.043(2) Uani 1 1 d . . .
H52A H 0.6887 0.3918 0.4184 0.052 Uiso 1 1 calc R . .
C53 C 0.6494(7) 0.3162(4) 0.4552(5) 0.060(3) Uani 1 1 d . . .
H53A H 0.6474 0.3307 0.5029 0.072 Uiso 1 1 calc R . .
C54 C 0.6282(7) 0.2589(4) 0.4376(5) 0.059(3) Uani 1 1 d . . .
H54A H 0.6126 0.2338 0.4729 0.071 Uiso 1 1 calc R . .
C55 C 0.6301(5) 0.2390(3) 0.3687(5) 0.044(2) Uani 1 1 d . . .
H55A H 0.6155 0.1995 0.3562 0.052 Uiso 1 1 calc R . .
C56 C 0.6530(5) 0.2751(3) 0.3161(4) 0.034(2) Uani 1 1 d . . .
H56A H 0.6538 0.2605 0.2682 0.041 Uiso 1 1 calc R . .
P4 P 0.69665(13) 0.58671(8) 0.28064(11) 0.0285(5) Uani 1 1 d . . .
C57 C 0.8463(5) 0.5640(4) 0.2838(5) 0.036(2) Uani 1 1 d . . .
C58 C 0.9208(5) 0.5783(4) 0.2967(5) 0.044(2) Uani 1 1 d . . .
H58A H 0.9557 0.5507 0.2845 0.053 Uiso 1 1 calc R . .
C59 C 0.9459(6) 0.6325(4) 0.3275(5) 0.050(3) Uani 1 1 d . . .
H59A H 0.9972 0.6421 0.3359 0.060 Uiso 1 1 calc R . .
C60 C 0.8936(6) 0.6724(4) 0.3455(5) 0.046(2) Uani 1 1 d . . .
H60A H 0.9097 0.7093 0.3669 0.055 Uiso 1 1 calc R . .
C61 C 0.8189(5) 0.6589(3) 0.3327(4) 0.038(2) Uani 1 1 d . . .
H61A H 0.7841 0.6865 0.3451 0.045 Uiso 1 1 calc R . .
C62 C 0.7947(5) 0.6050(3) 0.3017(4) 0.0332(19) Uani 1 1 d . . .
C63 C 0.6634(5) 0.6215(3) 0.1935(4) 0.0317(19) Uani 1 1 d . . .
C64 C 0.7108(6) 0.6497(4) 0.1548(4) 0.042(2) Uani 1 1 d . . .
H64A H 0.7615 0.6539 0.1763 0.050 Uiso 1 1 calc R . .
C65 C 0.6858(7) 0.6719(4) 0.0848(5) 0.055(3) Uani 1 1 d . . .
H65A H 0.7192 0.6909 0.0585 0.066 Uiso 1 1 calc R . .
C66 C 0.6123(7) 0.6661(4) 0.0542(5) 0.059(3) Uani 1 1 d . . .
H66A H 0.5947 0.6812 0.0063 0.071 Uiso 1 1 calc R . .
C67 C 0.5635(6) 0.6385(4) 0.0924(5) 0.049(3) Uani 1 1 d . . .
H67A H 0.5126 0.6349 0.0708 0.059 Uiso 1 1 calc R . .
C68 C 0.5884(5) 0.6161(3) 0.1618(5) 0.042(2) Uani 1 1 d . . .
H68A H 0.5549 0.5971 0.1878 0.051 Uiso 1 1 calc R . .
C69 C 0.6553(5) 0.6252(3) 0.3486(4) 0.035(2) Uani 1 1 d . . .
C70 C 0.6782(8) 0.6131(5) 0.4223(5) 0.076(4) Uani 1 1 d . . .
H70A H 0.7152 0.5840 0.4370 0.092 Uiso 1 1 calc R . .
C71 C 0.6474(9) 0.6434(5) 0.4752(6) 0.086(5) Uani 1 1 d . . .
H71A H 0.6646 0.6355 0.5257 0.103 Uiso 1 1 calc R . .
C72 C 0.5935(8) 0.6837(5) 0.4552(7) 0.083(4) Uani 1 1 d . . .
H72A H 0.5718 0.7034 0.4915 0.099 Uiso 1 1 calc R . .
C73 C 0.5704(8) 0.6959(5) 0.3837(7) 0.083(4) Uani 1 1 d . . .
H73A H 0.5329 0.7248 0.3698 0.100 Uiso 1 1 calc R . .
C74 C 0.6005(6) 0.6670(4) 0.3300(6) 0.064(3) Uani 1 1 d . . .
H74A H 0.5832 0.6760 0.2798 0.076 Uiso 1 1 calc R . .
C75 C 0.6317(7) 0.9014(5) 0.4924(6) 0.075(4) Uani 1 1 d . . .
H75A H 0.6799 0.9178 0.4852 0.090 Uiso 1 1 calc R . .
H75B H 0.6369 0.8883 0.5440 0.090 Uiso 1 1 calc R . .
Cl7 Cl 0.56326(18) 0.95720(13) 0.47531(17) 0.0739(8) Uani 1 1 d . . .
Cl8 Cl 0.6101(2) 0.84132(17) 0.4355(2) 0.0991(12) Uani 1 1 d . . .
C76 C 0.8952(8) 0.3716(5) 0.4772(6) 0.084(4) Uani 1 1 d . . .
H76A H 0.8888 0.3821 0.4245 0.100 Uiso 1 1 calc R . .
H76B H 0.8457 0.3617 0.4882 0.100 Uiso 1 1 calc R . .
Cl9 Cl 0.9288(4) 0.43017(16) 0.5274(2) 0.177(3) Uani 1 1 d . . .
Cl10 Cl 0.9518(2) 0.31020(12) 0.49349(16) 0.0800(10) Uani 1 1 d . . .




# MOLECULAR GEOMETRY
_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C1 1.858(9) . ?
Ir1 P1 2.3541(19) . ?
Ir1 P2 2.3563(18) . ?
Ir1 Ge1 2.3851(10) . ?
Ir1 Cl1 2.4086(19) . ?
Ir1 Cl2 2.460(2) . ?
Ge1 C2 1.940(8) . ?
Ge1 C20 1.943(8) . ?
Ge1 Cl3 2.182(3) . ?
C1 O1 1.110(9) . ?
P1 C8 1.814(8) . ?
P1 C14 1.818(8) . ?
P1 C7 1.830(9) . ?
C2 C3 1.389(13) . ?
C2 C7 1.415(12) . ?
C3 C4 1.393(11) . ?
C3 H3A 0.9500 . ?
C4 C5 1.394(13) . ?
C4 H4A 0.9500 . ?
C5 C6 1.370(13) . ?
C5 H5A 0.9500 . ?
C6 C7 1.379(11) . ?
C6 H6A 0.9500 . ?
C8 C13 1.390(12) . ?
C8 C9 1.400(12) . ?
C9 C10 1.393(12) . ?
C9 H9A 0.9500 . ?
C10 C11 1.352(15) . ?
C10 H10A 0.9500 . ?
C11 C12 1.362(14) . ?
C11 H11A 0.9500 . ?
C12 C13 1.395(11) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.369(10) . ?
C14 C19 1.374(11) . ?
C15 C16 1.381(11) . ?
C15 H15A 0.9500 . ?
C16 C17 1.372(12) . ?
C16 H16A 0.9500 . ?
C17 C18 1.370(12) . ?
C17 H17A 0.9500 . ?
C18 C19 1.386(12) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
P2 C32 1.805(8) . ?
P2 C26 1.805(8) . ?
P2 C25 1.830(9) . ?
C20 C25 1.385(11) . ?
C20 C21 1.397(13) . ?
C21 C22 1.392(13) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(13) . ?
C22 H22A 0.9500 . ?
C23 C24 1.378(12) . ?
C23 H23A 0.9500 . ?
C24 C25 1.404(11) . ?
C24 H24A 0.9500 . ?
C26 C27 1.396(12) . ?
C26 C31 1.397(13) . ?
C27 C28 1.393(12) . ?
C27 H27A 0.9500 . ?
C28 C29 1.370(16) . ?
C28 H28A 0.9500 . ?
C29 C30 1.366(15) . ?
C29 H29A 0.9500 . ?
C30 C31 1.403(12) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C33 1.384(11) . ?
C32 C37 1.394(10) . ?
C33 C34 1.376(12) . ?
C33 H33A 0.9500 . ?
C34 C35 1.371(13) . ?
C34 H34A 0.9500 . ?
C35 C36 1.369(13) . ?
C35 H35A 0.9500 . ?
C36 C37 1.374(11) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
Ir2 C38 1.842(9) . ?
Ir2 P3 2.3502(18) . ?
Ir2 P4 2.3521(19) . ?
Ir2 Ge2 2.3798(10) . ?
Ir2 Cl4 2.4084(19) . ?
Ir2 Cl5 2.456(2) . ?
Ge2 C39 1.935(8) . ?
Ge2 C57 1.954(8) . ?
Ge2 Cl6 2.193(2) . ?
C38 O2 1.127(9) . ?
P3 C51 1.809(8) . ?
P3 C45 1.834(8) . ?
P3 C44 1.839(9) . ?
C39 C44 1.379(11) . ?
C39 C40 1.402(12) . ?
C40 C41 1.386(12) . ?
C40 H40A 0.9500 . ?
C41 C42 1.359(13) . ?
C41 H41A 0.9500 . ?
C42 C43 1.378(13) . ?
C42 H42A 0.9500 . ?
C43 C44 1.408(10) . ?
C43 H43A 0.9500 . ?
C45 C46 1.369(11) . ?
C45 C50 1.379(12) . ?
C46 C47 1.387(12) . ?
C46 H46A 0.9500 . ?
C47 C48 1.355(16) . ?
C47 H47A 0.9500 . ?
C48 C49 1.390(16) . ?
C48 H48A 0.9500 . ?
C49 C50 1.359(12) . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
C51 C52 1.383(11) . ?
C51 C56 1.387(10) . ?
C52 C53 1.374(12) . ?
C52 H52A 0.9500 . ?
C53 C54 1.376(13) . ?
C53 H53A 0.9500 . ?
C54 C55 1.359(12) . ?
C54 H54A 0.9500 . ?
C55 C56 1.393(11) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
P4 C63 1.802(7) . ?
P4 C69 1.806(8) . ?
P4 C62 1.819(9) . ?
C57 C58 1.384(12) . ?
C57 C62 1.407(12) . ?
C58 C59 1.395(12) . ?
C58 H58A 0.9500 . ?
C59 C60 1.400(13) . ?
C59 H59A 0.9500 . ?
C60 C61 1.382(13) . ?
C60 H60A 0.9500 . ?
C61 C62 1.386(10) . ?
C61 H61A 0.9500 . ?
C63 C64 1.378(11) . ?
C63 C68 1.400(12) . ?
C64 C65 1.390(11) . ?
C64 H64A 0.9500 . ?
C65 C66 1.372(15) . ?
C65 H65A 0.9500 . ?
C66 C67 1.385(14) . ?
C66 H66A 0.9500 . ?
C67 C68 1.382(11) . ?
C67 H67A 0.9500 . ?
C68 H68A 0.9500 . ?
C69 C74 1.379(12) . ?
C69 C70 1.381(12) . ?
C70 C71 1.395(13) . ?
C70 H70A 0.9500 . ?
C71 C72 1.349(16) . ?
C71 H71A 0.9500 . ?
C72 C73 1.345(16) . ?
C72 H72A 0.9500 . ?
C73 C74 1.385(14) . ?
C73 H73A 0.9500 . ?
C74 H74A 0.9500 . ?
C75 Cl8 1.722(11) . ?
C75 Cl7 1.769(11) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 Cl9 1.673(12) . ?
C76 Cl10 1.731(11) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?

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
C1 Ir1 P1 92.4(2) . . ?
C1 Ir1 P2 92.9(2) . . ?
P1 Ir1 P2 165.81(8) . . ?
C1 Ir1 Ge1 96.7(3) . . ?
P1 Ir1 Ge1 83.73(6) . . ?
P2 Ir1 Ge1 82.58(6) . . ?
C1 Ir1 Cl1 176.3(3) . . ?
P1 Ir1 Cl1 87.42(7) . . ?
P2 Ir1 Cl1 86.45(7) . . ?
Ge1 Ir1 Cl1 79.66(6) . . ?
C1 Ir1 Cl2 91.3(3) . . ?
P1 Ir1 Cl2 95.05(7) . . ?
P2 Ir1 Cl2 97.98(7) . . ?
Ge1 Ir1 Cl2 171.93(5) . . ?
Cl1 Ir1 Cl2 92.33(7) . . ?
C2 Ge1 C20 120.7(4) . . ?
C2 Ge1 Cl3 104.4(3) . . ?
C20 Ge1 Cl3 104.2(3) . . ?
C2 Ge1 Ir1 104.8(3) . . ?
C20 Ge1 Ir1 105.5(3) . . ?
Cl3 Ge1 Ir1 118.32(10) . . ?
O1 C1 Ir1 178.7(8) . . ?
C8 P1 C14 104.6(4) . . ?
C8 P1 C7 105.9(4) . . ?
C14 P1 C7 105.5(4) . . ?
C8 P1 Ir1 112.3(3) . . ?
C14 P1 Ir1 119.9(3) . . ?
C7 P1 Ir1 107.6(3) . . ?
C3 C2 C7 117.9(8) . . ?
C3 C2 Ge1 125.8(7) . . ?
C7 C2 Ge1 116.3(6) . . ?
C2 C3 C4 121.9(9) . . ?
C2 C3 H3A 119.1 . . ?
C4 C3 H3A 119.1 . . ?
C3 C4 C5 119.0(9) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
C6 C5 C4 119.6(8) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C7 121.9(9) . . ?
C5 C6 H6A 119.0 . . ?
C7 C6 H6A 119.0 . . ?
C6 C7 C2 119.7(9) . . ?
C6 C7 P1 121.4(7) . . ?
C2 C7 P1 118.9(6) . . ?
C13 C8 C9 119.4(8) . . ?
C13 C8 P1 119.2(7) . . ?
C9 C8 P1 121.3(7) . . ?
C10 C9 C8 119.3(10) . . ?
C10 C9 H9A 120.3 . . ?
C8 C9 H9A 120.3 . . ?
C11 C10 C9 120.8(10) . . ?
C11 C10 H10A 119.6 . . ?
C9 C10 H10A 119.6 . . ?
C10 C11 C12 120.3(9) . . ?
C10 C11 H11A 119.8 . . ?
C12 C11 H11A 119.8 . . ?
C11 C12 C13 121.1(10) . . ?
C11 C12 H12A 119.5 . . ?
C13 C12 H12A 119.5 . . ?
C8 C13 C12 119.0(9) . . ?
C8 C13 H13A 120.5 . . ?
C12 C13 H13A 120.5 . . ?
C15 C14 C19 118.4(8) . . ?
C15 C14 P1 120.0(6) . . ?
C19 C14 P1 121.6(6) . . ?
C14 C15 C16 121.6(8) . . ?
C14 C15 H15A 119.2 . . ?
C16 C15 H15A 119.2 . . ?
C17 C16 C15 119.5(8) . . ?
C17 C16 H16A 120.3 . . ?
C15 C16 H16A 120.3 . . ?
C18 C17 C16 119.8(9) . . ?
C18 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
C17 C18 C19 120.1(9) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C14 C19 C18 120.7(8) . . ?
C14 C19 H19A 119.7 . . ?
C18 C19 H19A 119.7 . . ?
C32 P2 C26 106.8(4) . . ?
C32 P2 C25 106.3(4) . . ?
C26 P2 C25 103.2(4) . . ?
C32 P2 Ir1 118.9(3) . . ?
C26 P2 Ir1 112.6(3) . . ?
C25 P2 Ir1 107.9(3) . . ?
C25 C20 C21 118.7(8) . . ?
C25 C20 Ge1 116.1(7) . . ?
C21 C20 Ge1 125.2(7) . . ?
C22 C21 C20 121.0(9) . . ?
C22 C21 H21A 119.5 . . ?
C20 C21 H21A 119.5 . . ?
C23 C22 C21 119.9(10) . . ?
C23 C22 H22A 120.1 . . ?
C21 C22 H22A 120.1 . . ?
C24 C23 C22 119.8(9) . . ?
C24 C23 H23A 120.1 . . ?
C22 C23 H23A 120.1 . . ?
C23 C24 C25 120.7(8) . . ?
C23 C24 H24A 119.7 . . ?
C25 C24 H24A 119.7 . . ?
C20 C25 C24 120.0(8) . . ?
C20 C25 P2 118.9(6) . . ?
C24 C25 P2 121.0(7) . . ?
C27 C26 C31 119.1(8) . . ?
C27 C26 P2 122.2(7) . . ?
C31 C26 P2 118.6(7) . . ?
C28 C27 C26 119.7(10) . . ?
C28 C27 H27A 120.1 . . ?
C26 C27 H27A 120.1 . . ?
C29 C28 C27 120.4(11) . . ?
C29 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C30 C29 C28 121.1(10) . . ?
C30 C29 H29A 119.5 . . ?
C28 C29 H29A 119.5 . . ?
C29 C30 C31 119.6(11) . . ?
C29 C30 H30A 120.2 . . ?
C31 C30 H30A 120.2 . . ?
C26 C31 C30 120.1(10) . . ?
C26 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C33 C32 C37 118.5(8) . . ?
C33 C32 P2 120.4(6) . . ?
C37 C32 P2 121.1(6) . . ?
C34 C33 C32 120.5(8) . . ?
C34 C33 H33A 119.8 . . ?
C32 C33 H33A 119.8 . . ?
C35 C34 C33 120.2(9) . . ?
C35 C34 H34A 119.9 . . ?
C33 C34 H34A 119.9 . . ?
C36 C35 C34 120.2(9) . . ?
C36 C35 H35A 119.9 . . ?
C34 C35 H35A 119.9 . . ?
C35 C36 C37 120.1(8) . . ?
C35 C36 H36A 119.9 . . ?
C37 C36 H36A 119.9 . . ?
C36 C37 C32 120.5(8) . . ?
C36 C37 H37A 119.8 . . ?
C32 C37 H37A 119.8 . . ?
C38 Ir2 P3 92.3(2) . . ?
C38 Ir2 P4 93.7(2) . . ?
P3 Ir2 P4 165.50(8) . . ?
C38 Ir2 Ge2 95.8(3) . . ?
P3 Ir2 Ge2 83.65(6) . . ?
P4 Ir2 Ge2 82.59(6) . . ?
C38 Ir2 Cl4 175.3(3) . . ?
P3 Ir2 Cl4 86.62(7) . . ?
P4 Ir2 Cl4 86.41(7) . . ?
Ge2 Ir2 Cl4 79.55(6) . . ?
C38 Ir2 Cl5 91.7(3) . . ?
P3 Ir2 Cl5 98.27(7) . . ?
P4 Ir2 Cl5 94.78(7) . . ?
Ge2 Ir2 Cl5 172.21(5) . . ?
Cl4 Ir2 Cl5 93.00(7) . . ?
C39 Ge2 C57 122.0(4) . . ?
C39 Ge2 Cl6 106.4(3) . . ?
C57 Ge2 Cl6 102.5(2) . . ?
C39 Ge2 Ir2 106.2(3) . . ?
C57 Ge2 Ir2 104.9(3) . . ?
Cl6 Ge2 Ir2 115.48(9) . . ?
O2 C38 Ir2 178.8(8) . . ?
C51 P3 C45 103.8(4) . . ?
C51 P3 C44 107.2(4) . . ?
C45 P3 C44 104.0(4) . . ?
C51 P3 Ir2 119.7(3) . . ?
C45 P3 Ir2 112.6(2) . . ?
C44 P3 Ir2 108.3(3) . . ?
C44 C39 C40 117.9(8) . . ?
C44 C39 Ge2 116.5(6) . . ?
C40 C39 Ge2 125.6(7) . . ?
C41 C40 C39 120.7(9) . . ?
C41 C40 H40A 119.7 . . ?
C39 C40 H40A 119.7 . . ?
C42 C41 C40 120.7(9) . . ?
C42 C41 H41A 119.7 . . ?
C40 C41 H41A 119.7 . . ?
C41 C42 C43 120.3(8) . . ?
C41 C42 H42A 119.8 . . ?
C43 C42 H42A 119.8 . . ?
C42 C43 C44 119.3(9) . . ?
C42 C43 H43A 120.3 . . ?
C44 C43 H43A 120.3 . . ?
C39 C44 C43 121.1(8) . . ?
C39 C44 P3 119.6(6) . . ?
C43 C44 P3 119.3(7) . . ?
C46 C45 C50 118.5(8) . . ?
C46 C45 P3 122.8(7) . . ?
C50 C45 P3 118.6(7) . . ?
C45 C46 C47 120.9(10) . . ?
C45 C46 H46A 119.5 . . ?
C47 C46 H46A 119.5 . . ?
C48 C47 C46 119.6(11) . . ?
C48 C47 H47A 120.2 . . ?
C46 C47 H47A 120.2 . . ?
C47 C48 C49 120.1(9) . . ?
C47 C48 H48A 119.9 . . ?
C49 C48 H48A 119.9 . . ?
C50 C49 C48 119.5(11) . . ?
C50 C49 H49A 120.2 . . ?
C48 C49 H49A 120.2 . . ?
C49 C50 C45 121.3(10) . . ?
C49 C50 H50A 119.3 . . ?
C45 C50 H50A 119.3 . . ?
C52 C51 C56 119.3(7) . . ?
C52 C51 P3 119.4(6) . . ?
C56 C51 P3 121.2(6) . . ?
C53 C52 C51 120.1(8) . . ?
C53 C52 H52A 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C52 C53 C54 121.1(9) . . ?
C52 C53 H53A 119.4 . . ?
C54 C53 H53A 119.4 . . ?
C55 C54 C53 118.8(9) . . ?
C55 C54 H54A 120.6 . . ?
C53 C54 H54A 120.6 . . ?
C54 C55 C56 121.5(8) . . ?
C54 C55 H55A 119.2 . . ?
C56 C55 H55A 119.2 . . ?
C51 C56 C55 119.1(7) . . ?
C51 C56 H56A 120.5 . . ?
C55 C56 H56A 120.5 . . ?
C63 P4 C69 107.2(4) . . ?
C63 P4 C62 104.8(4) . . ?
C69 P4 C62 105.2(4) . . ?
C63 P4 Ir2 112.2(3) . . ?
C69 P4 Ir2 118.2(3) . . ?
C62 P4 Ir2 108.2(3) . . ?
C58 C57 C62 119.2(8) . . ?
C58 C57 Ge2 125.3(7) . . ?
C62 C57 Ge2 115.5(6) . . ?
C57 C58 C59 121.4(9) . . ?
C57 C58 H58A 119.3 . . ?
C59 C58 H58A 119.3 . . ?
C58 C59 C60 118.3(9) . . ?
C58 C59 H59A 120.9 . . ?
C60 C59 H59A 120.9 . . ?
C61 C60 C59 121.1(8) . . ?
C61 C60 H60A 119.4 . . ?
C59 C60 H60A 119.4 . . ?
C60 C61 C62 120.0(9) . . ?
C60 C61 H61A 120.0 . . ?
C62 C61 H61A 120.0 . . ?
C61 C62 C57 120.0(8) . . ?
C61 C62 P4 121.3(7) . . ?
C57 C62 P4 118.6(6) . . ?
C64 C63 C68 119.0(7) . . ?
C64 C63 P4 121.6(7) . . ?
C68 C63 P4 119.2(7) . . ?
C63 C64 C65 121.3(9) . . ?
C63 C64 H64A 119.3 . . ?
C65 C64 H64A 119.3 . . ?
C66 C65 C64 119.1(10) . . ?
C66 C65 H65A 120.4 . . ?
C64 C65 H65A 120.4 . . ?
C65 C66 C67 120.5(9) . . ?
C65 C66 H66A 119.7 . . ?
C67 C66 H66A 119.7 . . ?
C68 C67 C66 120.3(9) . . ?
C68 C67 H67A 119.8 . . ?
C66 C67 H67A 119.8 . . ?
C67 C68 C63 119.7(9) . . ?
C67 C68 H68A 120.2 . . ?
C63 C68 H68A 120.2 . . ?
C74 C69 C70 117.5(9) . . ?
C74 C69 P4 122.3(7) . . ?
C70 C69 P4 120.1(7) . . ?
C69 C70 C71 120.5(11) . . ?
C69 C70 H70A 119.8 . . ?
C71 C70 H70A 119.8 . . ?
C72 C71 C70 120.6(11) . . ?
C72 C71 H71A 119.7 . . ?
C70 C71 H71A 119.7 . . ?
C73 C72 C71 119.7(11) . . ?
C73 C72 H72A 120.1 . . ?
C71 C72 H72A 120.1 . . ?
C72 C73 C74 120.9(12) . . ?
C72 C73 H73A 119.5 . . ?
C74 C73 H73A 119.5 . . ?
C69 C74 C73 120.8(10) . . ?
C69 C74 H74A 119.6 . . ?
C73 C74 H74A 119.6 . . ?
Cl8 C75 Cl7 112.2(6) . . ?
Cl8 C75 H75A 109.2 . . ?
Cl7 C75 H75A 109.2 . . ?
Cl8 C75 H75B 109.2 . . ?
Cl7 C75 H75B 109.2 . . ?
H75A C75 H75B 107.9 . . ?
Cl9 C76 Cl10 113.0(7) . . ?
Cl9 C76 H76A 109.0 . . ?
Cl10 C76 H76A 109.0 . . ?
Cl9 C76 H76B 109.0 . . ?
Cl10 C76 H76B 109.0 . . ?
H76A C76 H76B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ir1 Ge1 C2 -115.7(3) . . . . ?
P1 Ir1 Ge1 C2 -24.0(3) . . . . ?
P2 Ir1 Ge1 C2 152.2(3) . . . . ?
Cl1 Ir1 Ge1 C2 64.5(3) . . . . ?
Cl2 Ir1 Ge1 C2 57.7(4) . . . . ?
C1 Ir1 Ge1 C20 115.9(3) . . . . ?
P1 Ir1 Ge1 C20 -152.4(3) . . . . ?
P2 Ir1 Ge1 C20 23.8(3) . . . . ?
Cl1 Ir1 Ge1 C20 -63.9(3) . . . . ?
Cl2 Ir1 Ge1 C20 -70.7(4) . . . . ?
C1 Ir1 Ge1 Cl3 0.0(2) . . . . ?
P1 Ir1 Ge1 Cl3 91.66(10) . . . . ?
P2 Ir1 Ge1 Cl3 -92.09(10) . . . . ?
Cl1 Ir1 Ge1 Cl3 -179.82(10) . . . . ?
Cl2 Ir1 Ge1 Cl3 173.4(3) . . . . ?
P1 Ir1 C1 O1 -138(41) . . . . ?
P2 Ir1 C1 O1 29(41) . . . . ?
Ge1 Ir1 C1 O1 -54(41) . . . . ?
Cl1 Ir1 C1 O1 -50(43) . . . . ?
Cl2 Ir1 C1 O1 127(41) . . . . ?
C1 Ir1 P1 C8 5.6(4) . . . . ?
P2 Ir1 P1 C8 -106.2(4) . . . . ?
Ge1 Ir1 P1 C8 -90.8(3) . . . . ?
Cl1 Ir1 P1 C8 -170.7(3) . . . . ?
Cl2 Ir1 P1 C8 97.2(3) . . . . ?
C1 Ir1 P1 C14 -117.7(4) . . . . ?
P2 Ir1 P1 C14 130.4(4) . . . . ?
Ge1 Ir1 P1 C14 145.8(3) . . . . ?
Cl1 Ir1 P1 C14 65.9(3) . . . . ?
Cl2 Ir1 P1 C14 -26.2(3) . . . . ?
C1 Ir1 P1 C7 121.9(4) . . . . ?
P2 Ir1 P1 C7 10.0(4) . . . . ?
Ge1 Ir1 P1 C7 25.4(3) . . . . ?
Cl1 Ir1 P1 C7 -54.5(3) . . . . ?
Cl2 Ir1 P1 C7 -146.6(3) . . . . ?
C20 Ge1 C2 C3 -40.7(9) . . . . ?
Cl3 Ge1 C2 C3 75.8(8) . . . . ?
Ir1 Ge1 C2 C3 -159.2(7) . . . . ?
C20 Ge1 C2 C7 138.0(6) . . . . ?
Cl3 Ge1 C2 C7 -105.5(6) . . . . ?
Ir1 Ge1 C2 C7 19.5(7) . . . . ?
C7 C2 C3 C4 -0.1(14) . . . . ?
Ge1 C2 C3 C4 178.6(7) . . . . ?
C2 C3 C4 C5 1.0(14) . . . . ?
C3 C4 C5 C6 -1.4(14) . . . . ?
C4 C5 C6 C7 0.9(14) . . . . ?
C5 C6 C7 C2 0.1(13) . . . . ?
C5 C6 C7 P1 179.7(7) . . . . ?
C3 C2 C7 C6 -0.5(12) . . . . ?
Ge1 C2 C7 C6 -179.3(6) . . . . ?
C3 C2 C7 P1 179.9(7) . . . . ?
Ge1 C2 C7 P1 1.0(9) . . . . ?
C8 P1 C7 C6 -81.0(7) . . . . ?
C14 P1 C7 C6 29.6(8) . . . . ?
Ir1 P1 C7 C6 158.7(6) . . . . ?
C8 P1 C7 C2 98.6(7) . . . . ?
C14 P1 C7 C2 -150.8(6) . . . . ?
Ir1 P1 C7 C2 -21.7(7) . . . . ?
C14 P1 C8 C13 61.9(7) . . . . ?
C7 P1 C8 C13 173.2(6) . . . . ?
Ir1 P1 C8 C13 -69.6(7) . . . . ?
C14 P1 C8 C9 -122.9(7) . . . . ?
C7 P1 C8 C9 -11.7(7) . . . . ?
Ir1 P1 C8 C9 105.5(6) . . . . ?
C13 C8 C9 C10 -1.4(12) . . . . ?
P1 C8 C9 C10 -176.5(7) . . . . ?
C8 C9 C10 C11 0.6(14) . . . . ?
C9 C10 C11 C12 1.1(15) . . . . ?
C10 C11 C12 C13 -2.0(15) . . . . ?
C9 C8 C13 C12 0.5(12) . . . . ?
P1 C8 C13 C12 175.8(6) . . . . ?
C11 C12 C13 C8 1.1(13) . . . . ?
C8 P1 C14 C15 -168.9(8) . . . . ?
C7 P1 C14 C15 79.6(8) . . . . ?
Ir1 P1 C14 C15 -41.8(9) . . . . ?
C8 P1 C14 C19 12.9(9) . . . . ?
C7 P1 C14 C19 -98.6(9) . . . . ?
Ir1 P1 C14 C19 139.9(7) . . . . ?
C19 C14 C15 C16 -0.6(16) . . . . ?
P1 C14 C15 C16 -178.9(8) . . . . ?
C14 C15 C16 C17 1.7(17) . . . . ?
C15 C16 C17 C18 -1.4(17) . . . . ?
C16 C17 C18 C19 0.0(17) . . . . ?
C15 C14 C19 C18 -0.8(16) . . . . ?
P1 C14 C19 C18 177.4(8) . . . . ?
C17 C18 C19 C14 1.2(17) . . . . ?
C1 Ir1 P2 C32 116.3(4) . . . . ?
P1 Ir1 P2 C32 -131.9(4) . . . . ?
Ge1 Ir1 P2 C32 -147.3(3) . . . . ?
Cl1 Ir1 P2 C32 -67.3(3) . . . . ?
Cl2 Ir1 P2 C32 24.5(3) . . . . ?
C1 Ir1 P2 C26 -9.6(4) . . . . ?
P1 Ir1 P2 C26 102.2(4) . . . . ?
Ge1 Ir1 P2 C26 86.8(3) . . . . ?
Cl1 Ir1 P2 C26 166.8(3) . . . . ?
Cl2 Ir1 P2 C26 -101.4(3) . . . . ?
C1 Ir1 P2 C25 -122.8(4) . . . . ?
P1 Ir1 P2 C25 -11.0(4) . . . . ?
Ge1 Ir1 P2 C25 -26.4(2) . . . . ?
Cl1 Ir1 P2 C25 53.6(3) . . . . ?
Cl2 Ir1 P2 C25 145.5(3) . . . . ?
C2 Ge1 C20 C25 -135.9(6) . . . . ?
Cl3 Ge1 C20 C25 107.5(6) . . . . ?
Ir1 Ge1 C20 C25 -17.8(7) . . . . ?
C2 Ge1 C20 C21 46.4(9) . . . . ?
Cl3 Ge1 C20 C21 -70.2(8) . . . . ?
Ir1 Ge1 C20 C21 164.5(8) . . . . ?
C25 C20 C21 C22 2.3(14) . . . . ?
Ge1 C20 C21 C22 180.0(7) . . . . ?
C20 C21 C22 C23 -2.3(15) . . . . ?
C21 C22 C23 C24 1.7(15) . . . . ?
C22 C23 C24 C25 -1.2(14) . . . . ?
C21 C20 C25 C24 -1.8(12) . . . . ?
Ge1 C20 C25 C24 -179.7(6) . . . . ?
C21 C20 C25 P2 173.8(7) . . . . ?
Ge1 C20 C25 P2 -4.1(9) . . . . ?
C23 C24 C25 C20 1.3(12) . . . . ?
C23 C24 C25 P2 -174.2(7) . . . . ?
C32 P2 C25 C20 153.1(6) . . . . ?
C26 P2 C25 C20 -94.8(7) . . . . ?
Ir1 P2 C25 C20 24.6(7) . . . . ?
C32 P2 C25 C24 -31.4(7) . . . . ?
C26 P2 C25 C24 80.8(7) . . . . ?
Ir1 P2 C25 C24 -159.9(6) . . . . ?
C32 P2 C26 C27 116.4(7) . . . . ?
C25 P2 C26 C27 4.6(8) . . . . ?
Ir1 P2 C26 C27 -111.4(6) . . . . ?
C32 P2 C26 C31 -65.3(7) . . . . ?
C25 P2 C26 C31 -177.1(6) . . . . ?
Ir1 P2 C26 C31 66.9(7) . . . . ?
C31 C26 C27 C28 -1.0(13) . . . . ?
P2 C26 C27 C28 177.2(7) . . . . ?
C26 C27 C28 C29 -0.6(15) . . . . ?
C27 C28 C29 C30 1.5(16) . . . . ?
C28 C29 C30 C31 -0.6(15) . . . . ?
C27 C26 C31 C30 1.9(12) . . . . ?
P2 C26 C31 C30 -176.5(6) . . . . ?
C29 C30 C31 C26 -1.1(14) . . . . ?
C26 P2 C32 C33 162.4(8) . . . . ?
C25 P2 C32 C33 -88.0(8) . . . . ?
Ir1 P2 C32 C33 33.7(9) . . . . ?
C26 P2 C32 C37 -19.4(8) . . . . ?
C25 P2 C32 C37 90.2(8) . . . . ?
Ir1 P2 C32 C37 -148.1(6) . . . . ?
C37 C32 C33 C34 0.0(15) . . . . ?
P2 C32 C33 C34 178.3(9) . . . . ?
C32 C33 C34 C35 -1.3(18) . . . . ?
C33 C34 C35 C36 2.2(19) . . . . ?
C34 C35 C36 C37 -1.8(18) . . . . ?
C35 C36 C37 C32 0.6(16) . . . . ?
C33 C32 C37 C36 0.3(14) . . . . ?
P2 C32 C37 C36 -177.9(8) . . . . ?
C38 Ir2 Ge2 C39 -110.8(3) . . . . ?
P3 Ir2 Ge2 C39 -19.2(3) . . . . ?
P4 Ir2 Ge2 C39 156.3(3) . . . . ?
Cl4 Ir2 Ge2 C39 68.6(3) . . . . ?
Cl5 Ir2 Ge2 C39 85.6(4) . . . . ?
C38 Ir2 Ge2 C57 118.8(3) . . . . ?
P3 Ir2 Ge2 C57 -149.5(2) . . . . ?
P4 Ir2 Ge2 C57 25.9(2) . . . . ?
Cl4 Ir2 Ge2 C57 -61.8(2) . . . . ?
Cl5 Ir2 Ge2 C57 -44.8(4) . . . . ?
C38 Ir2 Ge2 Cl6 6.8(2) . . . . ?
P3 Ir2 Ge2 Cl6 98.43(9) . . . . ?
P4 Ir2 Ge2 Cl6 -86.16(9) . . . . ?
Cl4 Ir2 Ge2 Cl6 -173.85(9) . . . . ?
Cl5 Ir2 Ge2 Cl6 -156.8(4) . . . . ?
P3 Ir2 C38 O2 -51(40) . . . . ?
P4 Ir2 C38 O2 116(40) . . . . ?
Ge2 Ir2 C38 O2 33(40) . . . . ?
Cl4 Ir2 C38 O2 25(42) . . . . ?
Cl5 Ir2 C38 O2 -149(40) . . . . ?
C38 Ir2 P3 C51 -120.4(4) . . . . ?
P4 Ir2 P3 C51 125.6(4) . . . . ?
Ge2 Ir2 P3 C51 144.1(3) . . . . ?
Cl4 Ir2 P3 C51 64.2(3) . . . . ?
Cl5 Ir2 P3 C51 -28.3(3) . . . . ?
C38 Ir2 P3 C45 2.0(4) . . . . ?
P4 Ir2 P3 C45 -112.0(4) . . . . ?
Ge2 Ir2 P3 C45 -93.6(3) . . . . ?
Cl4 Ir2 P3 C45 -173.4(3) . . . . ?
Cl5 Ir2 P3 C45 94.0(3) . . . . ?
C38 Ir2 P3 C44 116.4(4) . . . . ?
P4 Ir2 P3 C44 2.4(4) . . . . ?
Ge2 Ir2 P3 C44 20.9(3) . . . . ?
Cl4 Ir2 P3 C44 -59.0(3) . . . . ?
Cl5 Ir2 P3 C44 -151.5(3) . . . . ?
C57 Ge2 C39 C44 134.3(6) . . . . ?
Cl6 Ge2 C39 C44 -109.0(6) . . . . ?
Ir2 Ge2 C39 C44 14.5(7) . . . . ?
C57 Ge2 C39 C40 -45.7(9) . . . . ?
Cl6 Ge2 C39 C40 70.9(8) . . . . ?
Ir2 Ge2 C39 C40 -165.6(7) . . . . ?
C44 C39 C40 C41 -1.4(13) . . . . ?
Ge2 C39 C40 C41 178.7(7) . . . . ?
C39 C40 C41 C42 1.2(15) . . . . ?
C40 C41 C42 C43 -0.5(15) . . . . ?
C41 C42 C43 C44 0.1(14) . . . . ?
C40 C39 C44 C43 1.0(12) . . . . ?
Ge2 C39 C44 C43 -179.1(6) . . . . ?
C40 C39 C44 P3 -177.1(6) . . . . ?
Ge2 C39 C44 P3 2.8(9) . . . . ?
C42 C43 C44 C39 -0.4(12) . . . . ?
C42 C43 C44 P3 177.8(7) . . . . ?
C51 P3 C44 C39 -149.7(6) . . . . ?
C45 P3 C44 C39 100.8(7) . . . . ?
Ir2 P3 C44 C39 -19.2(7) . . . . ?
C51 P3 C44 C43 32.1(7) . . . . ?
C45 P3 C44 C43 -77.4(7) . . . . ?
Ir2 P3 C44 C43 162.6(6) . . . . ?
C51 P3 C45 C46 -120.7(7) . . . . ?
C44 P3 C45 C46 -8.7(7) . . . . ?
Ir2 P3 C45 C46 108.4(6) . . . . ?
C51 P3 C45 C50 63.3(7) . . . . ?
C44 P3 C45 C50 175.3(6) . . . . ?
Ir2 P3 C45 C50 -67.7(7) . . . . ?
C50 C45 C46 C47 -0.4(12) . . . . ?
P3 C45 C46 C47 -176.5(6) . . . . ?
C45 C46 C47 C48 0.7(14) . . . . ?
C46 C47 C48 C49 -0.7(15) . . . . ?
C47 C48 C49 C50 0.5(15) . . . . ?
C48 C49 C50 C45 -0.3(14) . . . . ?
C46 C45 C50 C49 0.2(13) . . . . ?
P3 C45 C50 C49 176.4(7) . . . . ?
C45 P3 C51 C52 -159.6(8) . . . . ?
C44 P3 C51 C52 90.7(8) . . . . ?
Ir2 P3 C51 C52 -33.0(9) . . . . ?
C45 P3 C51 C56 22.2(8) . . . . ?
C44 P3 C51 C56 -87.5(8) . . . . ?
Ir2 P3 C51 C56 148.8(6) . . . . ?
C56 C51 C52 C53 -1.2(15) . . . . ?
P3 C51 C52 C53 -179.4(8) . . . . ?
C51 C52 C53 C54 1.6(17) . . . . ?
C52 C53 C54 C55 -1.0(18) . . . . ?
C53 C54 C55 C56 0.1(17) . . . . ?
C52 C51 C56 C55 0.3(13) . . . . ?
P3 C51 C56 C55 178.5(7) . . . . ?
C54 C55 C56 C51 0.2(15) . . . . ?
C38 Ir2 P4 C63 -7.9(4) . . . . ?
P3 Ir2 P4 C63 106.0(4) . . . . ?
Ge2 Ir2 P4 C63 87.4(3) . . . . ?
Cl4 Ir2 P4 C63 167.3(3) . . . . ?
Cl5 Ir2 P4 C63 -99.9(3) . . . . ?
C38 Ir2 P4 C69 117.6(4) . . . . ?
P3 Ir2 P4 C69 -128.5(4) . . . . ?
Ge2 Ir2 P4 C69 -147.0(3) . . . . ?
Cl4 Ir2 P4 C69 -67.1(3) . . . . ?
Cl5 Ir2 P4 C69 25.6(3) . . . . ?
C38 Ir2 P4 C62 -123.0(4) . . . . ?
P3 Ir2 P4 C62 -9.2(4) . . . . ?
Ge2 Ir2 P4 C62 -27.7(3) . . . . ?
Cl4 Ir2 P4 C62 52.2(3) . . . . ?
Cl5 Ir2 P4 C62 144.9(3) . . . . ?
C39 Ge2 C57 C58 39.9(9) . . . . ?
Cl6 Ge2 C57 C58 -78.7(8) . . . . ?
Ir2 Ge2 C57 C58 160.3(7) . . . . ?
C39 Ge2 C57 C62 -141.4(6) . . . . ?
Cl6 Ge2 C57 C62 100.0(6) . . . . ?
Ir2 Ge2 C57 C62 -21.0(6) . . . . ?
C62 C57 C58 C59 0.3(13) . . . . ?
Ge2 C57 C58 C59 178.9(6) . . . . ?
C57 C58 C59 C60 0.4(14) . . . . ?
C58 C59 C60 C61 -0.6(13) . . . . ?
C59 C60 C61 C62 0.2(13) . . . . ?
C60 C61 C62 C57 0.5(12) . . . . ?
C60 C61 C62 P4 -177.6(6) . . . . ?
C58 C57 C62 C61 -0.7(12) . . . . ?
Ge2 C57 C62 C61 -179.5(6) . . . . ?
C58 C57 C62 P4 177.4(7) . . . . ?
Ge2 C57 C62 P4 -1.4(8) . . . . ?
C63 P4 C62 C61 82.0(7) . . . . ?
C69 P4 C62 C61 -30.9(7) . . . . ?
Ir2 P4 C62 C61 -158.1(6) . . . . ?
C63 P4 C62 C57 -96.1(7) . . . . ?
C69 P4 C62 C57 151.0(6) . . . . ?
Ir2 P4 C62 C57 23.8(7) . . . . ?
C69 P4 C63 C64 116.8(7) . . . . ?
C62 P4 C63 C64 5.3(8) . . . . ?
Ir2 P4 C63 C64 -111.8(6) . . . . ?
C69 P4 C63 C68 -68.0(7) . . . . ?
C62 P4 C63 C68 -179.5(6) . . . . ?
Ir2 P4 C63 C68 63.3(7) . . . . ?
C68 C63 C64 C65 -0.8(13) . . . . ?
P4 C63 C64 C65 174.3(7) . . . . ?
C63 C64 C65 C66 0.6(15) . . . . ?
C64 C65 C66 C67 0.0(15) . . . . ?
C65 C66 C67 C68 -0.4(15) . . . . ?
C66 C67 C68 C63 0.2(13) . . . . ?
C64 C63 C68 C67 0.5(12) . . . . ?
P4 C63 C68 C67 -174.8(6) . . . . ?
C63 P4 C69 C74 8.6(9) . . . . ?
C62 P4 C69 C74 119.8(9) . . . . ?
Ir2 P4 C69 C74 -119.3(8) . . . . ?
C63 P4 C69 C70 -171.6(9) . . . . ?
C62 P4 C69 C70 -60.3(9) . . . . ?
Ir2 P4 C69 C70 60.5(9) . . . . ?
C74 C69 C70 C71 -1.2(18) . . . . ?
P4 C69 C70 C71 179.0(10) . . . . ?
C69 C70 C71 C72 2(2) . . . . ?
C70 C71 C72 C73 -2(2) . . . . ?
C71 C72 C73 C74 1(2) . . . . ?
C70 C69 C74 C73 0.6(17) . . . . ?
P4 C69 C74 C73 -179.6(9) . . . . ?
C72 C73 C74 C69 -1(2) . . . . ?

