#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:06:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/64/4336463.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_4336463
loop_
_publ_author_name
'Miguel A. Esteruelas'
'Montserrat Oliván'
'Andrea Vélez'
_publ_contact_author
;
  Dr. Montserrat Oliván
  Departamento de Química Inorgánica - ISQCH
  Universidad de Zaragoza - CSIC
  50009 Zaragoza, Spain
;
_publ_contact_author_email       molivan@unizar.es
_publ_section_title
;
 POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12108
_journal_page_last               12119
_journal_paper_doi               10.1021/ic401931y
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C40.25 H55 Cl Ir O P2 Si'
_chemical_formula_weight         872.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 122.110(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.228(3)
_cell_length_b                   23.110(3)
_cell_length_c                   17.543(2)
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     7976.5(17)
_computing_cell_refinement       'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_data_collection       'apex2 v. 7.0 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT+ v. 7.56a (Bruker AXS, 2008)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker APEX DUO system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            43448
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.63
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.554
_exptl_absorpt_correction_T_max  0.704
_exptl_absorpt_correction_T_min  0.487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Absorption correction performed with SADABS program. This is based on the
method of Blessing: Blessing, R. H., Acta Crystallogr., Sect. A 1995, 51, 33.

SADABS: Area-Detector Absorption Correction. Bruker-AXS 
within SAINT+ package, v. 6.1 (2000).
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             3540
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.390
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         10458
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0804
_reflns_number_gt                7537
_reflns_number_total             10458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401931y_si_001_4.cif
_cod_data_source_block           enriquen45c
_cod_original_cell_volume        7976.6(16)
_cod_database_code               4336463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Ir Ir 0.155880(7) 0.701641(6) 0.642939(10) 0.02249(5) Uani 1 1 d D
H01 H 0.0948(19) 0.694(2) 0.654(4) 0.08(2) Uiso 1 1 d D
H02 H 0.211(2) 0.714(2) 0.621(4) 0.09(2) Uiso 1 1 d D
Cl Cl 0.30969(5) 0.78549(5) 0.80669(8) 0.0386(3) Uani 1 1 d .
P1 P 0.06612(5) 0.73371(4) 0.50913(7) 0.0227(2) Uani 1 1 d .
P2 P 0.22155(5) 0.64016(5) 0.75818(7) 0.0284(2) Uani 1 1 d .
Si Si 0.20196(5) 0.78720(4) 0.71145(7) 0.0254(2) Uani 1 1 d .
O O 0.12552(13) 0.61469(11) 0.56347(18) 0.0274(6) Uani 1 1 d .
C34 C 0.2018(2) 0.84568(17) 0.6354(3) 0.0282(9) Uani 1 1 d .
C35 C 0.2408(2) 0.83750(18) 0.5966(3) 0.0339(9) Uani 1 1 d .
H35 H 0.2700 0.8049 0.6136 0.041 Uiso 1 1 calc R
C36 C 0.2373(2) 0.87617(19) 0.5340(3) 0.0416(11) Uani 1 1 d .
H36 H 0.2639 0.8701 0.5082 0.050 Uiso 1 1 calc R
C37 C 0.1948(3) 0.9238(2) 0.5093(3) 0.0469(12) Uani 1 1 d .
H37 H 0.1918 0.9501 0.4657 0.056 Uiso 1 1 calc R
C38 C 0.1570(2) 0.93353(18) 0.5471(3) 0.0406(11) Uani 1 1 d .
H38 H 0.1283 0.9665 0.5300 0.049 Uiso 1 1 calc R
C39 C 0.1610(2) 0.89485(18) 0.6106(3) 0.0333(9) Uani 1 1 d .
H39 H 0.1354 0.9021 0.6375 0.040 Uiso 1 1 calc R
C28 C 0.17250(19) 0.82469(17) 0.7813(3) 0.0270(8) Uani 1 1 d .
C33 C 0.2035(2) 0.87553(19) 0.8275(3) 0.0385(10) Uani 1 1 d .
H33 H 0.2410 0.8906 0.8261 0.046 Uiso 1 1 calc R
C32 C 0.1803(2) 0.9050(2) 0.8761(3) 0.0433(11) Uani 1 1 d .
H32 H 0.2021 0.9397 0.9069 0.052 Uiso 1 1 calc R
C31 C 0.1266(2) 0.8842(2) 0.8796(3) 0.0431(11) Uani 1 1 d .
H31 H 0.1112 0.9041 0.9129 0.052 Uiso 1 1 calc R
C30 C 0.0952(2) 0.8341(2) 0.8342(3) 0.0395(11) Uani 1 1 d .
H30 H 0.0576 0.8196 0.8358 0.047 Uiso 1 1 calc R
C29 C 0.1178(2) 0.80438(18) 0.7862(3) 0.0325(9) Uani 1 1 d .
H29 H 0.0956 0.7696 0.7560 0.039 Uiso 1 1 calc R
C12 C 0.06661(18) 0.61418(16) 0.4765(3) 0.0249(8) Uani 1 1 d .
C7 C 0.03345(18) 0.66633(16) 0.4424(3) 0.0239(8) Uani 1 1 d .
C8 C -0.02438(19) 0.66671(18) 0.3567(3) 0.0308(9) Uani 1 1 d .
H8 H -0.0483 0.7019 0.3323 0.037 Uiso 1 1 calc R
C9 C -0.0476(2) 0.61680(19) 0.3066(3) 0.0372(10) Uani 1 1 d .
H9 H -0.0873 0.6177 0.2478 0.045 Uiso 1 1 calc R
C10 C -0.0129(2) 0.5651(2) 0.3421(3) 0.0382(10) Uani 1 1 d .
H10 H -0.0293 0.5307 0.3072 0.046 Uiso 1 1 calc R
C11 C 0.04556(19) 0.56286(17) 0.4282(3) 0.0295(9) Uani 1 1 d .
C13 C 0.0871(2) 0.50793(17) 0.4671(3) 0.0322(9) Uani 1 1 d .
C14 C 0.1430(2) 0.5085(2) 0.4449(3) 0.0431(11) Uani 1 1 d .
H14A H 0.1710 0.5433 0.4706 0.065 Uiso 1 1 calc R
H14B H 0.1219 0.5086 0.3795 0.065 Uiso 1 1 calc R
H14C H 0.1716 0.4740 0.4706 0.065 Uiso 1 1 calc R
C15 C 0.0440(2) 0.45327(18) 0.4284(4) 0.0440(12) Uani 1 1 d .
H15A H 0.0732 0.4191 0.4541 0.066 Uiso 1 1 calc R
H15B H 0.0224 0.4530 0.3628 0.066 Uiso 1 1 calc R
H15C H 0.0090 0.4527 0.4433 0.066 Uiso 1 1 calc R
C16 C 0.1227(2) 0.51031(17) 0.5701(3) 0.0324(9) Uani 1 1 d .
C21 C 0.14453(19) 0.56357(17) 0.6145(3) 0.0280(9) Uani 1 1 d .
C20 C 0.1856(2) 0.56963(17) 0.7072(3) 0.0300(9) Uani 1 1 d .
C19 C 0.2019(2) 0.51907(19) 0.7574(3) 0.0384(10) Uani 1 1 d .
H19 H 0.2295 0.5211 0.8211 0.046 Uiso 1 1 calc R
C18 C 0.1786(2) 0.46531(19) 0.7161(4) 0.0419(11) Uani 1 1 d .
H18 H 0.1890 0.4314 0.7517 0.050 Uiso 1 1 calc R
C17 C 0.1406(2) 0.46150(19) 0.6243(3) 0.0394(11) Uani 1 1 d .
H17 H 0.1260 0.4245 0.5969 0.047 Uiso 1 1 calc R
C4 C 0.0814(2) 0.78233(17) 0.4375(3) 0.0290(9) Uani 1 1 d .
H4 H 0.1111 0.8141 0.4782 0.035 Uiso 1 1 calc R
C6 C 0.0192(2) 0.8127(2) 0.3587(3) 0.0416(11) Uani 1 1 d .
H6A H 0.0344 0.8414 0.3320 0.062 Uiso 1 1 calc R
H6B H -0.0067 0.8321 0.3809 0.062 Uiso 1 1 calc R
H6C H -0.0097 0.7840 0.3132 0.062 Uiso 1 1 calc R
C5 C 0.1235(2) 0.75127(19) 0.4060(3) 0.0385(10) Uani 1 1 d .
H5A H 0.0960 0.7209 0.3629 0.058 Uiso 1 1 calc R
H5B H 0.1638 0.7339 0.4579 0.058 Uiso 1 1 calc R
H5C H 0.1377 0.7792 0.3770 0.058 Uiso 1 1 calc R
C1 C -0.01188(19) 0.76291(18) 0.4997(3) 0.0292(9) Uani 1 1 d .
H1 H -0.0469 0.7681 0.4343 0.035 Uiso 1 1 calc R
C2 C -0.0409(2) 0.72124(19) 0.5387(3) 0.0374(10) Uani 1 1 d .
H2A H -0.0081 0.7165 0.6033 0.056 Uiso 1 1 calc R
H2B H -0.0496 0.6836 0.5087 0.056 Uiso 1 1 calc R
H2C H -0.0835 0.7369 0.5289 0.056 Uiso 1 1 calc R
C3 C 0.0028(2) 0.82285(18) 0.5448(3) 0.0347(10) Uani 1 1 d .
H3A H -0.0398 0.8402 0.5325 0.052 Uiso 1 1 calc R
H3B H 0.0235 0.8478 0.5207 0.052 Uiso 1 1 calc R
H3C H 0.0341 0.8186 0.6100 0.052 Uiso 1 1 calc R
C25 C 0.2201(2) 0.6391(2) 0.8625(3) 0.0390(10) Uani 1 1 d .
H25 H 0.2454 0.6038 0.8973 0.047 Uiso 1 1 calc R
C26 C 0.1480(3) 0.6347(2) 0.8430(4) 0.0521(13) Uani 1 1 d .
H26A H 0.1497 0.6307 0.8997 0.078 Uiso 1 1 calc R
H26B H 0.1254 0.6009 0.8048 0.078 Uiso 1 1 calc R
H26C H 0.1227 0.6698 0.8118 0.078 Uiso 1 1 calc R
C27 C 0.2568(3) 0.6921(2) 0.9214(3) 0.0498(13) Uani 1 1 d .
H27A H 0.2335 0.7274 0.8885 0.075 Uiso 1 1 calc R
H27B H 0.3039 0.6927 0.9362 0.075 Uiso 1 1 calc R
H27C H 0.2565 0.6900 0.9769 0.075 Uiso 1 1 calc R
C22 C 0.3128(2) 0.63105(19) 0.7969(3) 0.0355(10) Uani 1 1 d .
H22 H 0.3349 0.6695 0.8209 0.043 Uiso 1 1 calc R
C24 C 0.3198(2) 0.6178(2) 0.7170(3) 0.0514(13) Uani 1 1 d .
H24A H 0.3677 0.6204 0.7359 0.077 Uiso 1 1 calc R
H24B H 0.2932 0.6458 0.6688 0.077 Uiso 1 1 calc R
H24C H 0.3030 0.5786 0.6949 0.077 Uiso 1 1 calc R
C23 C 0.3531(2) 0.5873(2) 0.8715(3) 0.0456(12) Uani 1 1 d .
H23A H 0.3374 0.5482 0.8482 0.068 Uiso 1 1 calc R
H23B H 0.3465 0.5948 0.9213 0.068 Uiso 1 1 calc R
H23C H 0.4015 0.5908 0.8930 0.068 Uiso 1 1 calc R
C40 C 0.9792(5) 0.0212(4) 0.3684(6) 0.047(2) Uiso 0.50 1 d PD
H40A H 0.9844 0.0616 0.3562 0.070 Uiso 0.50 1 calc PR
H40B H 1.0102 0.0131 0.4326 0.070 Uiso 0.50 1 calc PR
H40C H 0.9323 0.0144 0.3516 0.070 Uiso 0.50 1 calc PR
C41 C 0.9948(7) -0.0153(5) 0.3178(7) 0.074(4) Uiso 0.50 1 d PD
H41A H 1.0385 -0.0345 0.3605 0.089 Uiso 0.50 1 calc PR
H41B H 0.9596 -0.0459 0.2916 0.089 Uiso 0.50 1 calc PR
C42 C 1.0000 0.0068(8) 0.2500 0.096(7) Uiso 0.50 2 d SPD
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'
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
Si Ir P2 99.76(4) .
Si Ir P1 100.25(4) .
P2 Ir P1 159.01(4) .
Si Ir O 167.72(7) .
P2 Ir O 80.77(7) .
P1 Ir O 81.04(7) .
Si Ir H01 104(2) .
P2 Ir H01 93(2) .
P1 Ir H01 76(2) .
O Ir H01 88(2) .
Si Ir H02 76(2) .
P2 Ir H02 95(2) .
P1 Ir H02 96(2) .
O Ir H02 92(2) .
H01 Ir H02 173(3) .
C7 P1 C4 104.05(18) .
C7 P1 C1 101.34(17) .
C4 P1 C1 104.37(18) .
C7 P1 Ir 102.76(13) .
C4 P1 Ir 119.65(14) .
C1 P1 Ir 121.66(14) .
C20 P2 C25 103.2(2) .
C20 P2 C22 102.24(19) .
C25 P2 C22 104.7(2) .
C20 P2 Ir 101.89(14) .
C25 P2 Ir 122.19(14) .
C22 P2 Ir 119.42(14) .
C34 Si C28 105.21(17) .
C34 Si Cl 97.21(13) .
C28 Si Cl 100.18(13) .
C34 Si Ir 115.13(13) .
C28 Si Ir 120.63(13) .
Cl Si Ir 115.04(5) .
C21 O C12 118.6(3) .
C21 O Ir 116.8(2) .
C12 O Ir 117.8(2) .
C39 C34 C35 117.8(4) .
C39 C34 Si 123.1(3) .
C35 C34 Si 119.0(3) .
C36 C35 C34 121.1(4) .
C36 C35 H35 119.5 .
C34 C35 H35 119.5 .
C35 C36 C37 119.5(4) .
C35 C36 H36 120.3 .
C37 C36 H36 120.3 .
C38 C37 C36 120.8(4) .
C38 C37 H37 119.6 .
C36 C37 H37 119.6 .
C37 C38 C39 119.6(4) .
C37 C38 H38 120.2 .
C39 C38 H38 120.2 .
C38 C39 C34 121.1(4) .
C38 C39 H39 119.4 .
C34 C39 H39 119.4 .
C33 C28 C29 117.0(4) .
C33 C28 Si 120.5(3) .
C29 C28 Si 122.4(3) .
C28 C33 C32 121.1(4) .
C28 C33 H33 119.5 .
C32 C33 H33 119.5 .
C31 C32 C33 120.7(4) .
C31 C32 H32 119.7 .
C33 C32 H32 119.7 .
C32 C31 C30 119.1(4) .
C32 C31 H31 120.5 .
C30 C31 H31 120.5 .
C31 C30 C29 120.9(4) .
C31 C30 H30 119.5 .
C29 C30 H30 119.5 .
C30 C29 C28 121.3(4) .
C30 C29 H29 119.4 .
C28 C29 H29 119.4 .
C7 C12 C11 123.1(4) .
C7 C12 O 117.3(3) .
C11 C12 O 119.6(3) .
C12 C7 C8 118.1(4) .
C12 C7 P1 120.8(3) .
C8 C7 P1 121.1(3) .
C9 C8 C7 120.9(4) .
C9 C8 H8 119.6 .
C7 C8 H8 119.6 .
C8 C9 C10 119.9(4) .
C8 C9 H9 120.1 .
C10 C9 H9 120.1 .
C9 C10 C11 121.1(4) .
C9 C10 H10 119.5 .
C11 C10 H10 119.5 .
C12 C11 C10 117.0(4) .
C12 C11 C13 120.4(4) .
C10 C11 C13 122.5(4) .
C11 C13 C15 112.5(3) .
C11 C13 C16 108.4(3) .
C15 C13 C16 111.6(4) .
C11 C13 C14 107.3(3) .
C15 C13 C14 109.5(3) .
C16 C13 C14 107.3(3) .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C17 C16 C21 116.5(4) .
C17 C16 C13 123.6(4) .
C21 C16 C13 119.6(4) .
C20 C21 C16 124.1(4) .
C20 C21 O 116.7(3) .
C16 C21 O 119.2(4) .
C21 C20 C19 116.3(4) .
C21 C20 P2 120.8(3) .
C19 C20 P2 122.6(3) .
C20 C19 C18 121.4(4) .
C20 C19 H19 119.3 .
C18 C19 H19 119.3 .
C17 C18 C19 119.9(4) .
C17 C18 H18 120.0 .
C19 C18 H18 120.0 .
C18 C17 C16 121.6(4) .
C18 C17 H17 119.2 .
C16 C17 H17 119.2 .
C5 C4 C6 111.3(4) .
C5 C4 P1 110.4(3) .
C6 C4 P1 117.3(3) .
C5 C4 H4 105.6 .
C6 C4 H4 105.6 .
P1 C4 H4 105.6 .
C4 C6 H6A 109.5 .
C4 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C4 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C4 C5 H5A 109.5 .
C4 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C4 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C2 C1 C3 111.5(3) .
C2 C1 P1 111.9(3) .
C3 C1 P1 110.0(3) .
C2 C1 H1 107.8 .
C3 C1 H1 107.8 .
P1 C1 H1 107.8 .
C1 C2 H2A 109.5 .
C1 C2 H2B 109.5 .
H2A C2 H2B 109.5 .
C1 C2 H2C 109.5 .
H2A C2 H2C 109.5 .
H2B C2 H2C 109.5 .
C1 C3 H3A 109.5 .
C1 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C1 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C26 C25 C27 110.8(4) .
C26 C25 P2 112.0(3) .
C27 C25 P2 111.0(3) .
C26 C25 H25 107.6 .
C27 C25 H25 107.6 .
P2 C25 H25 107.6 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C23 C22 C24 109.8(4) .
C23 C22 P2 116.8(3) .
C24 C22 P2 110.1(3) .
C23 C22 H22 106.5 .
C24 C22 H22 106.5 .
P2 C22 H22 106.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C41 C40 H40A 109.5 .
C41 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C41 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
C42 C41 C40 120.0(9) .
C42 C41 H41A 107.3 .
C40 C41 H41A 107.3 .
C42 C41 H41B 107.3 .
C40 C41 H41B 107.3 .
H41A C41 H41B 106.9 .
C41 C42 C41 135.8(17) 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir Si 2.2654(11) .
Ir P2 2.2704(10) .
Ir P1 2.2811(10) .
Ir O 2.331(3) .
Ir H01 1.538(10) .
Ir H02 1.555(10) .
Cl Si 2.1472(15) .
P1 C7 1.852(4) .
P1 C4 1.854(4) .
P1 C1 1.856(4) .
P2 C20 1.833(4) .
P2 C25 1.849(4) .
P2 C22 1.862(4) .
Si C34 1.898(4) .
Si C28 1.901(4) .
O C21 1.404(4) .
O C12 1.407(4) .
C34 C39 1.394(6) .
C34 C35 1.404(5) .
C35 C36 1.385(6) .
C35 H35 0.9500 .
C36 C37 1.386(6) .
C36 H36 0.9500 .
C37 C38 1.370(6) .
C37 H37 0.9500 .
C38 C39 1.393(6) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C28 C33 1.391(6) .
C28 C29 1.400(5) .
C33 C32 1.404(6) .
C33 H33 0.9500 .
C32 C31 1.368(6) .
C32 H32 0.9500 .
C31 C30 1.374(6) .
C31 H31 0.9500 .
C30 C29 1.388(6) .
C30 H30 0.9500 .
C29 H29 0.9500 .
C12 C7 1.384(5) .
C12 C11 1.387(5) .
C7 C8 1.384(5) .
C8 C9 1.375(6) .
C8 H8 0.9500 .
C9 C10 1.389(6) .
C9 H9 0.9500 .
C10 C11 1.396(6) .
C10 H10 0.9500 .
C11 C13 1.519(5) .
C13 C15 1.528(5) .
C13 C16 1.537(6) .
C13 C14 1.542(5) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.388(6) .
C16 C21 1.399(6) .
C21 C20 1.388(6) .
C20 C19 1.389(5) .
C19 C18 1.395(6) .
C19 H19 0.9500 .
C18 C17 1.367(7) .
C18 H18 0.9500 .
C17 H17 0.9500 .
C4 C5 1.535(5) .
C4 C6 1.538(6) .
C4 H4 1.0000 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C1 C2 1.529(6) .
C1 C3 1.541(6) .
C1 H1 1.0000 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C25 C26 1.522(6) .
C25 C27 1.537(7) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C22 C23 1.519(6) .
C22 C24 1.526(6) .
C22 H22 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C40 C41 1.402(8) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C42 1.358(8) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C41 1.358(8) 2_755
