#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:24:41 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260770 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/57/7705750.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_7705750
loop_
_publ_author_name
'Guzmán, Jefferson'
'Bernal, Ana M.'
'García-Orduña, Pilar'
'Lahoz, Fernando J.'
'Polo, Víctor'
'Fernández-Alvarez, Francisco J'
_publ_section_title
;
 2-Pyridone-stabilized iridium silylene/silyl complexes: structure and
 QTAIM analysis.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17665
_journal_page_last               17673
_journal_paper_doi               10.1039/d0dt03326j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C26 H40 F3 Ir N2 O4 Si2'
_chemical_formula_sum            'C26 H40 F3 Ir N2 O4 Si2'
_chemical_formula_weight         749.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-12 deposited with the CCDC.	2020-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.0610(10)
_cell_angle_beta                 96.4680(10)
_cell_angle_gamma                104.4890(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2857(5)
_cell_length_b                   11.6094(6)
_cell_length_c                   14.7740(8)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7905
_cell_measurement_theta_min      2.230
_cell_volume                     1530.38(14)
_computing_cell_refinement
'SAINT+ in APEX3 v. 2017.3 (Bruker AXS, 2008)'
_computing_data_collection       'SMART in APEX2 v. 2008.4 (Bruker AXS, 2008)'
_computing_data_reduction
'SAINT+ in APEX3 v. 2017.3 (Bruker AXS, 2008)'
_computing_molecular_graphics    'ORTEP-3 (farrugia, 2012)'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'Bruker APEX CCD system'
_diffrn_measurement_method       'narrow ω 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  0.0251
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17768
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.896
_diffrn_reflns_theta_min         1.389
_exptl_absorpt_coefficient_mu    4.491
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_description       plate
_exptl_crystal_F_000             748
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane'
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.089
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         7361
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0288P)²+6.0721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0734
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6783
_reflns_number_total             7361
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03326j2.cif
_cod_data_source_block           cmpnd_5
_cod_depositor_comments
'Adding full bibliography for 7705749--7705751.cif.'
_cod_database_code               7705750
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.5243
_shelx_estimated_absorpt_t_max   0.7458
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ir Ir 0.24389(2) 0.71720(2) 0.75025(2) 0.01570(5) Uani 1 1 d . . . . .
Si1 Si 0.44717(11) 0.73101(9) 0.67497(7) 0.0156(2) Uani 1 1 d . . . . .
Si2 Si 0.28227(12) 0.91799(9) 0.75665(7) 0.0170(2) Uani 1 1 d . . . . .
N1 N 0.4004(4) 0.7066(3) 0.8589(2) 0.0184(6) Uani 1 1 d . . . . .
N2 N 0.1058(4) 0.7340(3) 0.6342(2) 0.0171(6) Uani 1 1 d . . . . .
O1 O 0.5875(3) 0.7708(2) 0.76605(19) 0.0194(6) Uani 1 1 d . . . . .
O2 O 0.2058(3) 0.9377(2) 0.64659(19) 0.0194(6) Uani 1 1 d . . . . .
O3 O 0.0316(3) 0.6448(3) 0.8325(2) 0.0289(7) Uani 1 1 d . . . . .
O4 O 0.1125(3) 0.5099(3) 0.7575(2) 0.0270(7) Uani 1 1 d . . . . .
C1 C 0.5488(4) 0.7348(3) 0.8470(3) 0.0176(7) Uani 1 1 d . . . . .
C2 C 0.6600(5) 0.7257(4) 0.9167(3) 0.0216(8) Uani 1 1 d . . . . .
H2 H 0.762173 0.746631 0.906313 0.026 Uiso 1 1 calc R U . . .
C3 C 0.6220(5) 0.6864(4) 1.0009(3) 0.0229(8) Uani 1 1 d . . . . .
C4 C 0.4696(5) 0.6579(4) 1.0123(3) 0.0246(9) Uani 1 1 d . . . . .
H4 H 0.438878 0.630728 1.069072 0.029 Uiso 1 1 calc R U . . .
C5 C 0.3639(5) 0.6690(4) 0.9421(3) 0.0230(8) Uani 1 1 d . . . . .
H5 H 0.261502 0.649727 0.952081 0.028 Uiso 1 1 calc R U . . .
C6 C 0.7397(5) 0.6720(4) 1.0753(3) 0.0307(10) Uani 1 1 d . . . . .
H6A H 0.712874 0.693263 1.134503 0.046 Uiso 1 1 calc R U . . .
H6B H 0.836772 0.724273 1.065558 0.046 Uiso 1 1 calc R U . . .
H6C H 0.746190 0.589012 1.074301 0.046 Uiso 1 1 calc R U . . .
C7 C 0.4914(4) 0.8391(4) 0.5812(3) 0.0213(8) Uani 1 1 d . . . . .
H7 H 0.445596 0.906123 0.593876 0.026 Uiso 1 1 calc R U . . .
C8 C 0.6593(5) 0.8959(4) 0.5755(3) 0.0289(9) Uani 1 1 d . . . . .
H8A H 0.708689 0.833533 0.561260 0.043 Uiso 1 1 calc R U . . .
H8B H 0.706310 0.936644 0.634058 0.043 Uiso 1 1 calc R U . . .
H8C H 0.669298 0.953446 0.527423 0.043 Uiso 1 1 calc R U . . .
C9 C 0.4118(5) 0.7797(4) 0.4886(3) 0.0271(9) Uani 1 1 d . . . . .
H9A H 0.416343 0.840221 0.442929 0.041 Uiso 1 1 calc R U . . .
H9B H 0.306838 0.741169 0.494589 0.041 Uiso 1 1 calc R U . . .
H9C H 0.461602 0.719798 0.469381 0.041 Uiso 1 1 calc R U . . .
C10 C 0.4676(4) 0.5788(4) 0.6370(3) 0.0212(8) Uani 1 1 d . . . . .
H10 H 0.387662 0.546424 0.585178 0.025 Uiso 1 1 calc R U . . .
C11 C 0.4478(5) 0.4896(4) 0.7127(3) 0.0281(9) Uani 1 1 d . . . . .
H11A H 0.457558 0.412647 0.689478 0.042 Uiso 1 1 calc R U . . .
H11B H 0.348388 0.479794 0.732477 0.042 Uiso 1 1 calc R U . . .
H11C H 0.524873 0.519424 0.764497 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6203(5) 0.5873(4) 0.6026(3) 0.0289(9) Uani 1 1 d . . . . .
H12A H 0.700846 0.628388 0.649491 0.043 Uiso 1 1 calc R U . . .
H12B H 0.626159 0.632022 0.546881 0.043 Uiso 1 1 calc R U . . .
H12C H 0.630889 0.507037 0.589384 0.043 Uiso 1 1 calc R U . . .
C13 C 0.1200(4) 0.8420(3) 0.5984(3) 0.0176(7) Uani 1 1 d . . . . .
C14 C 0.0523(4) 0.8559(4) 0.5111(3) 0.0198(8) Uani 1 1 d . . . . .
H14 H 0.066319 0.932956 0.487507 0.024 Uiso 1 1 calc R U . . .
C15 C -0.0349(5) 0.7577(4) 0.4591(3) 0.0229(8) Uani 1 1 d . . . . .
C16 C -0.0551(4) 0.6466(4) 0.4983(3) 0.0246(9) Uani 1 1 d . . . . .
H16 H -0.117140 0.577347 0.465646 0.029 Uiso 1 1 calc R U . . .
C17 C 0.0152(4) 0.6382(4) 0.5843(3) 0.0219(8) Uani 1 1 d . . . . .
H17 H -0.000327 0.562194 0.609804 0.026 Uiso 1 1 calc R U . . .
C18 C -0.1062(6) 0.7691(5) 0.3640(4) 0.0381(12) Uani 1 1 d . . . . .
H18A H -0.102147 0.853033 0.353968 0.057 Uiso 1 1 calc R U . . .
H18B H -0.210882 0.722555 0.356574 0.057 Uiso 1 1 calc R U . . .
H18C H -0.051843 0.739201 0.319526 0.057 Uiso 1 1 calc R U . . .
C19 C 0.4712(5) 1.0308(4) 0.7719(3) 0.0213(8) Uani 1 1 d . . . . .
H19 H 0.537315 1.001665 0.732948 0.026 Uiso 1 1 calc R U . . .
C20 C 0.5479(6) 1.0435(4) 0.8704(3) 0.0314(10) Uani 1 1 d . . . . .
H20A H 0.650032 1.094298 0.872916 0.047 Uiso 1 1 calc R U . . .
H20B H 0.551589 0.964662 0.891636 0.047 Uiso 1 1 calc R U . . .
H20C H 0.491048 1.079529 0.909671 0.047 Uiso 1 1 calc R U . . .
C21 C 0.4597(5) 1.1536(4) 0.7390(3) 0.0253(9) Uani 1 1 d . . . . .
H21A H 0.395945 1.185206 0.776224 0.038 Uiso 1 1 calc R U . . .
H21B H 0.415792 1.145552 0.675008 0.038 Uiso 1 1 calc R U . . .
H21C H 0.559865 1.208285 0.744950 0.038 Uiso 1 1 calc R U . . .
C22 C 0.1523(5) 0.9687(4) 0.8314(3) 0.0244(9) Uani 1 1 d . . . . .
H22 H 0.182372 1.057729 0.835684 0.029 Uiso 1 1 calc R U . . .
C23 C 0.1689(6) 0.9262(5) 0.9292(3) 0.0393(12) Uani 1 1 d . . . . .
H23A H 0.109698 0.962092 0.966868 0.059 Uiso 1 1 calc R U . . .
H23B H 0.274639 0.950234 0.954952 0.059 Uiso 1 1 calc R U . . .
H23C H 0.133091 0.839237 0.928173 0.059 Uiso 1 1 calc R U . . .
C24 C -0.0128(5) 0.9306(5) 0.7898(3) 0.0317(10) Uani 1 1 d . . . . .
H24A H -0.046256 0.843470 0.784617 0.048 Uiso 1 1 calc R U . . .
H24B H -0.023180 0.962553 0.729185 0.048 Uiso 1 1 calc R U . . .
H24C H -0.074096 0.961533 0.829173 0.048 Uiso 1 1 calc R U . . .
C25 C 0.0249(5) 0.5413(4) 0.8057(3) 0.0272(9) Uani 1 1 d . . . . .
C26 C -0.1050(6) 0.4416(5) 0.8331(5) 0.0489(16) Uani 1 1 d . . . . .
F1A F -0.0903(7) 0.3294(6) 0.8149(5) 0.0463(18) Uiso 0.529(8) 1 d . . P A 1
F2A F -0.2320(9) 0.4539(7) 0.8122(6) 0.066(2) Uiso 0.529(8) 1 d . . P A 1
F3A F -0.0816(10) 0.4360(8) 0.9298(6) 0.073(3) Uiso 0.529(8) 1 d . . P A 1
F1B F -0.0755(10) 0.3546(8) 0.8642(7) 0.064(3) Uiso 0.471(8) 1 d . . P A 2
F2B F -0.2051(10) 0.4020(8) 0.7497(6) 0.069(3) Uiso 0.471(8) 1 d . . P A 2
F3B F -0.2043(10) 0.4838(8) 0.8736(6) 0.061(3) Uiso 0.471(8) 1 d . . P A 2
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'
F F 0.0171 0.0103 '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'
N N 0.0061 0.0033 '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'
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
N2 Ir N1 174.15(13) . . ?
N2 Ir Si2 81.12(9) . . ?
N1 Ir Si2 97.40(10) . . ?
N2 Ir Si1 93.81(9) . . ?
N1 Ir Si1 80.54(10) . . ?
Si2 Ir Si1 91.13(4) . . ?
N2 Ir O3 91.48(12) . . ?
N1 Ir O3 94.37(12) . . ?
Si2 Ir O3 104.86(8) . . ?
Si1 Ir O3 163.77(8) . . ?
N2 Ir O4 91.14(12) . . ?
N1 Ir O4 92.18(12) . . ?
Si2 Ir O4 158.33(8) . . ?
Si1 Ir O4 109.65(8) . . ?
O3 Ir O4 54.85(11) . . ?
O1 Si1 C7 109.25(17) . . ?
O1 Si1 C10 101.67(16) . . ?
C7 Si1 C10 109.67(19) . . ?
O1 Si1 Ir 99.51(10) . . ?
C7 Si1 Ir 122.05(13) . . ?
C10 Si1 Ir 112.21(13) . . ?
O2 Si2 C19 104.05(17) . . ?
O2 Si2 C22 103.03(17) . . ?
C19 Si2 C22 108.94(19) . . ?
O2 Si2 Ir 99.67(10) . . ?
C19 Si2 Ir 125.91(13) . . ?
C22 Si2 Ir 111.91(14) . . ?
C5 N1 C1 117.4(3) . . ?
C5 N1 Ir 123.6(3) . . ?
C1 N1 Ir 119.0(3) . . ?
C13 N2 C17 117.4(3) . . ?
C13 N2 Ir 119.4(3) . . ?
C17 N2 Ir 122.5(3) . . ?
C1 O1 Si1 115.8(2) . . ?
C13 O2 Si2 117.9(3) . . ?
C25 O3 Ir 89.7(3) . . ?
C25 O4 Ir 89.1(3) . . ?
O1 C1 N1 118.6(3) . . ?
O1 C1 C2 119.5(4) . . ?
N1 C1 C2 121.9(4) . . ?
C3 C2 C1 120.4(4) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 117.1(4) . . ?
C2 C3 C6 121.0(4) . . ?
C4 C3 C6 121.9(4) . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
N1 C5 C4 122.6(4) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C9 C7 C8 110.9(3) . . ?
C9 C7 Si1 109.8(3) . . ?
C8 C7 Si1 116.2(3) . . ?
C9 C7 H7 106.4 . . ?
C8 C7 H7 106.4 . . ?
Si1 C7 H7 106.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C12 108.8(3) . . ?
C11 C10 Si1 112.7(3) . . ?
C12 C10 Si1 111.7(3) . . ?
C11 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
Si1 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O2 C13 N2 118.7(3) . . ?
O2 C13 C14 119.1(4) . . ?
N2 C13 C14 122.2(4) . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 117.5(4) . . ?
C14 C15 C18 121.5(4) . . ?
C16 C15 C18 121.0(4) . . ?
C17 C16 C15 119.8(4) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
N2 C17 C16 122.9(4) . . ?
N2 C17 H17 118.6 . . ?
C16 C17 H17 118.6 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C21 109.9(4) . . ?
C20 C19 Si2 112.9(3) . . ?
C21 C19 Si2 111.8(3) . . ?
C20 C19 H19 107.3 . . ?
C21 C19 H19 107.3 . . ?
Si2 C19 H19 107.3 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 110.1(4) . . ?
C24 C22 Si2 112.5(3) . . ?
C23 C22 Si2 112.4(3) . . ?
C24 C22 H22 107.2 . . ?
C23 C22 H22 107.2 . . ?
Si2 C22 H22 107.2 . . ?
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 . . ?
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 . . ?
O3 C25 O4 126.3(4) . . ?
O3 C25 C26 117.1(4) . . ?
O4 C25 C26 116.7(4) . . ?
F1B C26 F3B 116.0(8) . . ?
F2A C26 F1A 114.3(7) . . ?
F2A C26 F3A 107.9(7) . . ?
F1A C26 F3A 95.2(6) . . ?
F1B C26 F2B 106.5(8) . . ?
F3B C26 F2B 94.3(6) . . ?
F1B C26 C25 118.0(6) . . ?
F2A C26 C25 116.1(6) . . ?
F3B C26 C25 112.8(6) . . ?
F1A C26 C25 113.5(5) . . ?
F3A C26 C25 107.2(6) . . ?
F2B C26 C25 105.5(6) . . ?
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
Ir N2 2.065(3) . ?
Ir N1 2.068(3) . ?
Ir Si2 2.2668(11) . ?
Ir Si1 2.2702(10) . ?
Ir O3 2.413(3) . ?
Ir O4 2.421(3) . ?
Si1 O1 1.733(3) . ?
Si1 C7 1.896(4) . ?
Si1 C10 1.905(4) . ?
Si2 O2 1.742(3) . ?
Si2 C19 1.896(4) . ?
Si2 C22 1.911(4) . ?
N1 C5 1.362(5) . ?
N1 C1 1.367(5) . ?
N2 C13 1.352(5) . ?
N2 C17 1.360(5) . ?
O1 C1 1.332(5) . ?
O2 C13 1.333(5) . ?
O3 C25 1.243(6) . ?
O4 C25 1.253(5) . ?
C1 C2 1.399(6) . ?
C2 C3 1.385(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.401(6) . ?
C3 C6 1.503(6) . ?
C4 C5 1.376(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C9 1.542(6) . ?
C7 C8 1.546(6) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.533(6) . ?
C10 C12 1.540(6) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.400(6) . ?
C14 C15 1.381(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.402(6) . ?
C15 C18 1.508(6) . ?
C16 C17 1.378(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.534(6) . ?
C19 C21 1.539(6) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.536(6) . ?
C22 C23 1.540(7) . ?
C22 H22 1.0000 . ?
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 C26 1.545(6) . ?
C26 F1B 1.197(10) . ?
C26 F2A 1.229(9) . ?
C26 F3B 1.337(10) . ?
C26 F1A 1.368(9) . ?
C26 F3A 1.425(10) . ?
C26 F2B 1.450(11) . ?
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
C7 Si1 O1 C1 156.0(3) . . . . ?
C10 Si1 O1 C1 -88.2(3) . . . . ?
Ir Si1 O1 C1 27.0(3) . . . . ?
C19 Si2 O2 C13 146.0(3) . . . . ?
C22 Si2 O2 C13 -100.4(3) . . . . ?
Ir Si2 O2 C13 15.0(3) . . . . ?
Si1 O1 C1 N1 -21.1(4) . . . . ?
Si1 O1 C1 C2 158.3(3) . . . . ?
C5 N1 C1 O1 179.5(3) . . . . ?
Ir N1 C1 O1 1.5(5) . . . . ?
C5 N1 C1 C2 0.1(6) . . . . ?
Ir N1 C1 C2 -177.9(3) . . . . ?
O1 C1 C2 C3 -178.9(4) . . . . ?
N1 C1 C2 C3 0.5(6) . . . . ?
C1 C2 C3 C4 -0.6(6) . . . . ?
C1 C2 C3 C6 177.8(4) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C6 C3 C4 C5 -178.2(4) . . . . ?
C1 N1 C5 C4 -0.6(6) . . . . ?
Ir N1 C5 C4 177.2(3) . . . . ?
C3 C4 C5 N1 0.5(6) . . . . ?
O1 Si1 C7 C9 156.3(3) . . . . ?
C10 Si1 C7 C9 45.7(3) . . . . ?
Ir Si1 C7 C9 -88.6(3) . . . . ?
O1 Si1 C7 C8 29.4(4) . . . . ?
C10 Si1 C7 C8 -81.2(4) . . . . ?
Ir Si1 C7 C8 144.5(3) . . . . ?
Si2 O2 C13 N2 -4.9(5) . . . . ?
Si2 O2 C13 C14 177.5(3) . . . . ?
C17 N2 C13 O2 178.8(3) . . . . ?
Ir N2 C13 O2 -10.5(5) . . . . ?
C17 N2 C13 C14 -3.7(5) . . . . ?
Ir N2 C13 C14 167.0(3) . . . . ?
O2 C13 C14 C15 178.8(4) . . . . ?
N2 C13 C14 C15 1.3(6) . . . . ?
C13 C14 C15 C16 1.7(6) . . . . ?
C13 C14 C15 C18 -178.4(4) . . . . ?
C14 C15 C16 C17 -2.2(6) . . . . ?
C18 C15 C16 C17 178.0(4) . . . . ?
C13 N2 C17 C16 3.3(6) . . . . ?
Ir N2 C17 C16 -167.2(3) . . . . ?
C15 C16 C17 N2 -0.3(6) . . . . ?
O2 Si2 C19 C20 170.5(3) . . . . ?
C22 Si2 C19 C20 61.1(4) . . . . ?
Ir Si2 C19 C20 -76.2(3) . . . . ?
O2 Si2 C19 C21 45.9(3) . . . . ?
C22 Si2 C19 C21 -63.4(3) . . . . ?
Ir Si2 C19 C21 159.2(2) . . . . ?
Ir O3 C25 O4 2.3(5) . . . . ?
Ir O3 C25 C26 -176.9(4) . . . . ?
Ir O4 C25 O3 -2.3(5) . . . . ?
Ir O4 C25 C26 176.9(4) . . . . ?
O3 C25 C26 F1B -131.9(8) . . . . ?
O4 C25 C26 F1B 48.8(10) . . . . ?
O3 C25 C26 F2A 55.3(9) . . . . ?
O4 C25 C26 F2A -124.0(7) . . . . ?
O3 C25 C26 F3B 7.8(8) . . . . ?
O4 C25 C26 F3B -171.5(6) . . . . ?
O3 C25 C26 F1A -169.3(5) . . . . ?
O4 C25 C26 F1A 11.4(8) . . . . ?
O3 C25 C26 F3A -65.5(6) . . . . ?
O4 C25 C26 F3A 115.3(6) . . . . ?
O3 C25 C26 F2B 109.4(6) . . . . ?
O4 C25 C26 F2B -69.9(6) . . . . ?
