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#$Date: 2023-06-29 11:44:33 +0300 (Thu, 29 Jun 2023) $
#$Revision: 284559 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/17/7131788.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_7131788
loop_
_publ_author_name
'Fernández-Buenestado, Marta'
'Somerville, Rosie J.'
'López-Serrano, Joaquín'
'Campos, Jesús'
_publ_section_title
;
 A genuine germylene PGeP pincer ligand for formic acid dehydrogenation
 with iridium.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d3cc02447d
_journal_year                    2023
_chemical_formula_sum            'C29 H52 Cl Ge Ir N2 O P2'
_chemical_formula_weight         806.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-05-11 deposited with the CCDC.	2023-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.083(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.8449(14)
_cell_length_b                   16.1593(14)
_cell_length_c                   23.0027(18)
_cell_measurement_reflns_used    3141
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      24.76
_cell_measurement_theta_min      2.46
_cell_volume                     6460.9(9)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1715
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            143808
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.066
_diffrn_source                   'IuS 3.0 Microfocus Source'
_exptl_absorpt_coefficient_mu    5.252
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_description       plate
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.032
_refine_diff_density_min         -1.679
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         6346
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0446P)²+28.1877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0946
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5109
_reflns_number_total             6346
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02447d3.cif
_cod_data_source_block           jcm06621b_a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7131788
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir01 Ir 0.76553(2) 0.56924(2) 0.67385(2) 0.02107(8) Uani 1 1 d . . . . .
C1 C 0.5241(3) 0.6272(4) 0.5169(3) 0.0264(14) Uani 1 1 d . . . . .
C2 C 0.4736(4) 0.6232(4) 0.4615(3) 0.0328(15) Uani 1 1 d . . . . .
H2 H 0.4887 0.5968 0.4291 0.039 Uiso 1 1 calc R U . . .
C3 C 0.4007(4) 0.6579(4) 0.4537(4) 0.0374(17) Uani 1 1 d . . . . .
H3 H 0.3659 0.6546 0.4158 0.045 Uiso 1 1 calc R U . . .
C4 C 0.3788(4) 0.6967(5) 0.4998(4) 0.0406(18) Uani 1 1 d . . . . .
H4 H 0.3293 0.7213 0.4936 0.049 Uiso 1 1 calc R U . . .
C5 C 0.4288(4) 0.7003(4) 0.5561(3) 0.0351(16) Uani 1 1 d . . . . .
H5 H 0.4130 0.7267 0.5883 0.042 Uiso 1 1 calc R U . . .
C6 C 0.5013(4) 0.6653(4) 0.5650(3) 0.0291(14) Uani 1 1 d . . . . .
C7 C 0.6273(4) 0.5544(4) 0.4845(3) 0.0247(13) Uani 1 1 d . . . . .
H7A H 0.6302 0.5941 0.4523 0.030 Uiso 1 1 calc R U . . .
H7B H 0.5911 0.5097 0.4671 0.030 Uiso 1 1 calc R U . . .
C8 C 0.7059(3) 0.5179(4) 0.5092(3) 0.0248(13) Uani 1 1 d . . . . .
H8A H 0.7177 0.4782 0.4798 0.030 Uiso 1 1 calc R U . . .
H8B H 0.7045 0.4866 0.5459 0.030 Uiso 1 1 calc R U . . .
C9 C 0.7713(4) 0.5818(4) 0.5240(3) 0.0256(14) Uani 1 1 d . . . . .
H9A H 0.7489 0.6380 0.5228 0.031 Uiso 1 1 calc R U . . .
H9B H 0.8021 0.5791 0.4932 0.031 Uiso 1 1 calc R U . . .
C10 C 0.5488(4) 0.7208(4) 0.6656(3) 0.0371(17) Uani 1 1 d . . . . .
H10A H 0.4981 0.7128 0.6755 0.045 Uiso 1 1 calc R U . . .
H10B H 0.5511 0.7782 0.6511 0.045 Uiso 1 1 calc R U . . .
C11 C 0.6116(4) 0.7081(4) 0.7208(3) 0.0354(16) Uani 1 1 d . . . . .
H11A H 0.6038 0.7463 0.7526 0.042 Uiso 1 1 calc R U . . .
H11B H 0.6621 0.7209 0.7118 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6116(4) 0.6177(4) 0.7430(3) 0.0326(16) Uani 1 1 d . . . . .
H12A H 0.5725 0.5862 0.7140 0.039 Uiso 1 1 calc R U . . .
H12B H 0.5954 0.6177 0.7815 0.039 Uiso 1 1 calc R U . . .
C13 C 0.9109(4) 0.6476(4) 0.6033(3) 0.0274(14) Uani 1 1 d . . . . .
C14 C 0.9602(4) 0.6393(5) 0.5577(3) 0.0385(17) Uani 1 1 d . . . . .
H14A H 0.9270 0.6337 0.5177 0.058 Uiso 1 1 calc R U . . .
H14B H 0.9930 0.5902 0.5669 0.058 Uiso 1 1 calc R U . . .
H14C H 0.9925 0.6886 0.5592 0.058 Uiso 1 1 calc R U . . .
C15 C 0.8699(4) 0.7300(4) 0.5946(4) 0.0383(17) Uani 1 1 d . . . . .
H15A H 0.9077 0.7749 0.6037 0.057 Uiso 1 1 calc R U . . .
H15B H 0.8344 0.7338 0.6214 0.057 Uiso 1 1 calc R U . . .
H15C H 0.8408 0.7349 0.5532 0.057 Uiso 1 1 calc R U . . .
C16 C 0.9623(4) 0.6488(5) 0.6674(3) 0.0413(18) Uani 1 1 d . . . . .
H16A H 1.0016 0.6919 0.6704 0.062 Uiso 1 1 calc R U . . .
H16B H 0.9874 0.5948 0.6764 0.062 Uiso 1 1 calc R U . . .
H16C H 0.9305 0.6602 0.6961 0.062 Uiso 1 1 calc R U . . .
C17 C 0.8788(4) 0.4591(4) 0.5889(3) 0.0290(14) Uani 1 1 d . . . . .
C18 C 0.8866(4) 0.4432(4) 0.5254(3) 0.0389(17) Uani 1 1 d . . . . .
H18A H 0.9163 0.4881 0.5127 0.058 Uiso 1 1 calc R U . . .
H18B H 0.8353 0.4409 0.4987 0.058 Uiso 1 1 calc R U . . .
H18C H 0.9131 0.3905 0.5237 0.058 Uiso 1 1 calc R U . . .
C19 C 0.9586(4) 0.4484(4) 0.6302(3) 0.0385(17) Uani 1 1 d . . . . .
H19A H 0.9793 0.3940 0.6234 0.058 Uiso 1 1 calc R U . . .
H19B H 0.9544 0.4525 0.6719 0.058 Uiso 1 1 calc R U . . .
H19C H 0.9930 0.4917 0.6218 0.058 Uiso 1 1 calc R U . . .
C20 C 0.8261(4) 0.3906(4) 0.6060(3) 0.0340(16) Uani 1 1 d . . . . .
H20A H 0.7777 0.3883 0.5757 0.051 Uiso 1 1 calc R U . . .
H20B H 0.8153 0.4036 0.6449 0.051 Uiso 1 1 calc R U . . .
H20C H 0.8521 0.3370 0.6080 0.051 Uiso 1 1 calc R U . . .
C21 C 0.6718(5) 0.4551(4) 0.7658(4) 0.0394(18) Uani 1 1 d . . . . .
C22 C 0.6145(5) 0.4294(5) 0.7094(4) 0.056(2) Uani 1 1 d . . . . .
H22A H 0.6055 0.3696 0.7103 0.084 Uiso 1 1 calc R U . . .
H22B H 0.6350 0.4431 0.6746 0.084 Uiso 1 1 calc R U . . .
H22C H 0.5658 0.4588 0.7070 0.084 Uiso 1 1 calc R U . . .
C23 C 0.7395(5) 0.3928(5) 0.7749(4) 0.050(2) Uani 1 1 d . . . . .
H23A H 0.7228 0.3392 0.7875 0.075 Uiso 1 1 calc R U . . .
H23B H 0.7826 0.4138 0.8056 0.075 Uiso 1 1 calc R U . . .
H23C H 0.7559 0.3860 0.7373 0.075 Uiso 1 1 calc R U . . .
C24 C 0.6345(6) 0.4477(5) 0.8202(4) 0.065(3) Uani 1 1 d . . . . .
H24A H 0.5901 0.4849 0.8148 0.097 Uiso 1 1 calc R U . . .
H24B H 0.6722 0.4629 0.8566 0.097 Uiso 1 1 calc R U . . .
H24C H 0.6175 0.3906 0.8236 0.097 Uiso 1 1 calc R U . . .
C25 C 0.7622(4) 0.6101(5) 0.8256(3) 0.0350(16) Uani 1 1 d . . . . .
C26 C 0.8056(5) 0.6835(5) 0.8085(4) 0.049(2) Uani 1 1 d . . . . .
H26A H 0.7688 0.7242 0.7870 0.073 Uiso 1 1 calc R U . . .
H26B H 0.8391 0.6648 0.7828 0.073 Uiso 1 1 calc R U . . .
H26C H 0.8368 0.7090 0.8446 0.073 Uiso 1 1 calc R U . . .
C27 C 0.7119(5) 0.6432(5) 0.8658(3) 0.048(2) Uani 1 1 d . . . . .
H27A H 0.6821 0.5977 0.8774 0.072 Uiso 1 1 calc R U . . .
H27B H 0.6768 0.6852 0.8443 0.072 Uiso 1 1 calc R U . . .
H27C H 0.7446 0.6679 0.9016 0.072 Uiso 1 1 calc R U . . .
C28 C 0.8200(5) 0.5494(5) 0.8621(3) 0.051(2) Uani 1 1 d . . . . .
H28A H 0.8558 0.5795 0.8936 0.076 Uiso 1 1 calc R U . . .
H28B H 0.8488 0.5222 0.8359 0.076 Uiso 1 1 calc R U . . .
H28C H 0.7925 0.5076 0.8801 0.076 Uiso 1 1 calc R U . . .
C29 C 0.8501(4) 0.5203(5) 0.7228(3) 0.0388(17) Uani 1 1 d . . . . .
Cl1 Cl 0.68085(10) 0.77157(10) 0.58340(8) 0.0330(4) Uani 1 1 d . . . . .
Ge1 Ge 0.65244(4) 0.63606(4) 0.60501(3) 0.02230(15) Uani 1 1 d . . . . .
N1 N 0.5986(3) 0.5966(3) 0.5312(2) 0.0266(12) Uani 1 1 d . . . . .
N2 N 0.5568(3) 0.6635(3) 0.6193(2) 0.0286(12) Uani 1 1 d . . . . .
O1 O 0.9021(3) 0.4904(4) 0.7533(2) 0.0562(16) Uani 1 1 d . . . . .
P1 P 0.83449(9) 0.56408(10) 0.59745(7) 0.0214(3) Uani 1 1 d . . . . .
P2 P 0.70311(10) 0.56339(10) 0.75358(7) 0.0246(3) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C29 Ir01 P2 88.5(2) . . ?
C29 Ir01 P1 86.9(2) . . ?
P2 Ir01 P1 174.73(5) . . ?
C29 Ir01 Ge1 178.4(2) . . ?
P2 Ir01 Ge1 93.10(4) . . ?
P1 Ir01 Ge1 91.48(4) . . ?
C2 C1 N1 126.1(6) . . ?
C2 C1 C6 120.1(6) . . ?
N1 C1 C6 113.8(6) . . ?
C1 C2 C3 119.6(7) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 120.7(7) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.3(7) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.9(7) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C1 119.4(6) . . ?
C5 C6 N2 125.8(7) . . ?
C1 C6 N2 114.8(6) . . ?
N1 C7 C8 110.9(5) . . ?
N1 C7 H7A 109.5 . . ?
C8 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C7 C8 C9 114.6(5) . . ?
C7 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
C7 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 P1 112.2(4) . . ?
C8 C9 H9A 109.2 . . ?
P1 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
P1 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N2 C10 C11 110.9(5) . . ?
N2 C10 H10A 109.5 . . ?
C11 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 110.6(6) . . ?
C10 C11 H11A 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C11 C12 P2 115.6(5) . . ?
C11 C12 H12A 108.4 . . ?
P2 C12 H12A 108.4 . . ?
C11 C12 H12B 108.4 . . ?
P2 C12 H12B 108.4 . . ?
H12A C12 H12B 107.5 . . ?
C15 C13 C14 109.0(6) . . ?
C15 C13 C16 106.3(6) . . ?
C14 C13 C16 110.3(6) . . ?
C15 C13 P1 107.4(4) . . ?
C14 C13 P1 114.0(5) . . ?
C16 C13 P1 109.6(5) . . ?
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 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 107.6(6) . . ?
C18 C17 C20 108.3(6) . . ?
C19 C17 C20 107.0(6) . . ?
C18 C17 P1 112.3(5) . . ?
C19 C17 P1 112.8(5) . . ?
C20 C17 P1 108.6(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C24 109.9(7) . . ?
C22 C21 C23 107.0(7) . . ?
C24 C21 C23 107.8(7) . . ?
C22 C21 P2 107.0(5) . . ?
C24 C21 P2 112.9(5) . . ?
C23 C21 P2 112.1(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C26 106.8(6) . . ?
C27 C25 C28 108.0(6) . . ?
C26 C25 C28 108.9(7) . . ?
C27 C25 P2 112.4(5) . . ?
C26 C25 P2 107.3(5) . . ?
C28 C25 P2 113.3(5) . . ?
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 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O1 C29 Ir01 179.4(7) . . ?
N1 Ge1 N2 86.5(2) . . ?
N1 Ge1 Cl1 102.66(17) . . ?
N2 Ge1 Cl1 93.81(18) . . ?
N1 Ge1 Ir01 127.05(16) . . ?
N2 Ge1 Ir01 128.97(17) . . ?
Cl1 Ge1 Ir01 110.90(5) . . ?
C1 N1 C7 118.0(5) . . ?
C1 N1 Ge1 111.2(4) . . ?
C7 N1 Ge1 129.5(4) . . ?
C6 N2 C10 118.4(5) . . ?
C6 N2 Ge1 109.6(4) . . ?
C10 N2 Ge1 122.0(5) . . ?
C9 P1 C13 103.7(3) . . ?
C9 P1 C17 103.2(3) . . ?
C13 P1 C17 109.4(3) . . ?
C9 P1 Ir01 111.4(2) . . ?
C13 P1 Ir01 114.1(2) . . ?
C17 P1 Ir01 114.0(2) . . ?
C12 P2 C21 100.4(3) . . ?
C12 P2 C25 103.2(3) . . ?
C21 P2 C25 111.3(3) . . ?
C12 P2 Ir01 116.4(2) . . ?
C21 P2 Ir01 111.3(2) . . ?
C25 P2 Ir01 113.3(2) . . ?
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
Ir01 C29 1.844(7) . ?
Ir01 P2 2.3534(16) . ?
Ir01 P1 2.3639(16) . ?
Ir01 Ge1 2.5098(7) . ?
C1 C2 1.386(9) . ?
C1 N1 1.388(8) . ?
C1 C6 1.404(9) . ?
C2 C3 1.390(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.362(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(9) . ?
C5 H5 0.9500 . ?
C6 N2 1.408(8) . ?
C7 N1 1.459(8) . ?
C7 C8 1.509(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.537(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 P1 1.829(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N2 1.443(9) . ?
C10 C11 1.505(10) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.549(9) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 P2 1.821(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C15 1.511(9) . ?
C13 C14 1.520(10) . ?
C13 C16 1.551(9) . ?
C13 P1 1.902(6) . ?
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 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.521(9) . ?
C17 C19 1.532(9) . ?
C17 C20 1.559(9) . ?
C17 P1 1.901(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.517(11) . ?
C21 C24 1.549(11) . ?
C21 C23 1.550(11) . ?
C21 P2 1.878(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.524(10) . ?
C25 C26 1.517(11) . ?
C25 C28 1.529(10) . ?
C25 P2 1.907(7) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 O1 1.138(8) . ?
Cl1 Ge1 2.3265(17) . ?
Ge1 N1 1.864(5) . ?
Ge1 N2 1.864(5) . ?
