#------------------------------------------------------------------------------
#$Date: 2022-07-26 01:55:29 +0300 (Tue, 26 Jul 2022) $
#$Revision: 276929 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/07/7710794.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_7710794
loop_
_publ_author_name
'Palmese, Marco'
'Pérez-Torrente, Jesús J.'
'Passarelli, Vincenzo'
_publ_section_title
;
 Cyclometalated iridium complexes based on monodentate aminophosphanes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02081E
_journal_year                    2022
_chemical_formula_moiety         'C32 H41 F6 Ir N2 P2 Si'
_chemical_formula_sum            'C32 H41 F6 Ir N2 P2 Si'
_chemical_formula_weight         849.90
_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   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-06-13 deposited with the CCDC.	2022-07-25 downloaded from the CCDC.
;
_cell_angle_alpha                106.793(6)
_cell_angle_beta                 94.609(7)
_cell_angle_gamma                102.683(8)
_cell_formula_units_Z            8
_cell_length_a                   15.413(5)
_cell_length_b                   16.528(6)
_cell_length_c                   28.517(10)
_cell_measurement_reflns_used    9780
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.504
_cell_measurement_theta_min      2.031
_cell_volume                     6704(4)
_computing_cell_refinement       'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_data_collection       'SMART in APEX2 (Bruker AXS,2008)'
_computing_data_reduction        'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX DUO system'
_diffrn_measurement_method       'ω and φ 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  0.0464
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            121535
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         0.755
_exptl_absorpt_coefficient_mu    4.173
_exptl_absorpt_correction_T_max  0.5959
_exptl_absorpt_correction_T_min  0.4686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 Multi-scan correction included in APEX2 package (Bruker AXS, 2008)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       prism
_exptl_crystal_F_000             3376
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.061
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1621
_refine_ls_number_reflns         27407
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0239P)²+10.3546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19551
_reflns_number_total             27407
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02081e3.cif
_cod_data_source_block           cmpd_6PF6_VPX150D
_cod_database_code               7710794
_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'
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
C101 C 0.0545(3) 1.0229(3) 0.34673(17) 0.0223(10) Uani 1 1 d . . . . .
C102 C -0.0309(3) 0.9997(4) 0.31823(19) 0.0298(12) Uani 1 1 d . . . . .
H102 H -0.0586 0.9399 0.3009 0.036 Uiso 1 1 calc R U . . .
C103 C -0.0756(4) 1.0625(4) 0.3150(2) 0.0375(14) Uani 1 1 d . . . . .
H103 H -0.1326 1.0459 0.2948 0.045 Uiso 1 1 calc R U . . .
C104 C -0.0363(4) 1.1501(4) 0.3416(2) 0.0408(15) Uani 1 1 d . . . . .
H104 H -0.0673 1.1933 0.3403 0.049 Uiso 1 1 calc R U . . .
C105 C 0.0477(4) 1.1738(4) 0.3696(2) 0.0381(14) Uani 1 1 d . . . . .
H105 H 0.0748 1.2337 0.3872 0.046 Uiso 1 1 calc R U . . .
C106 C 0.0937(4) 1.1104(3) 0.37255(19) 0.0300(12) Uani 1 1 d . . . . .
H106 H 0.1515 1.1274 0.3921 0.036 Uiso 1 1 calc R U . . .
C107 C 0.2207(3) 0.9814(3) 0.37839(15) 0.0156(10) Uani 1 1 d . . . . .
C108 C 0.2379(3) 1.0337(3) 0.42821(16) 0.0222(11) Uani 1 1 d . . . . .
H108 H 0.1900 1.0523 0.4435 0.027 Uiso 1 1 calc R U . . .
C109 C 0.3230(3) 1.0587(3) 0.45553(17) 0.0267(12) Uani 1 1 d . . . . .
H109 H 0.3335 1.0941 0.4893 0.032 Uiso 1 1 calc R U . . .
C110 C 0.3932(4) 1.0316(3) 0.4332(2) 0.0333(13) Uani 1 1 d . . . . .
H110 H 0.4519 1.0488 0.4518 0.040 Uiso 1 1 calc R U . . .
C111 C 0.3780(3) 0.9799(3) 0.38428(19) 0.0288(12) Uani 1 1 d . . . . .
H111 H 0.4261 0.9614 0.3692 0.035 Uiso 1 1 calc R U . . .
C112 C 0.2925(3) 0.9548(3) 0.35712(17) 0.0210(10) Uani 1 1 d . . . . .
H112 H 0.2825 0.9189 0.3235 0.025 Uiso 1 1 calc R U . . .
C113 C 0.0720(3) 0.7887(3) 0.27187(15) 0.0173(10) Uani 1 1 d . . . . .
C114 C 0.0351(3) 0.7511(3) 0.30671(15) 0.0168(10) Uani 1 1 d . . . . .
C115 C 0.0042(3) 0.6610(3) 0.29101(15) 0.0178(10) Uani 1 1 d . . . . .
H115 H -0.0219 0.6344 0.3137 0.021 Uiso 1 1 calc R U . . .
C116 C 0.0086(3) 0.6061(3) 0.24383(16) 0.0197(10) Uani 1 1 d . . . . .
C117 C 0.0425(3) 0.6467(3) 0.21034(16) 0.0239(11) Uani 1 1 d . . . . .
H117 H 0.0448 0.6121 0.1777 0.029 Uiso 1 1 calc R U . . .
C118 C 0.0730(3) 0.7363(3) 0.22380(16) 0.0230(11) Uani 1 1 d . . . . .
H118 H 0.0948 0.7628 0.2001 0.028 Uiso 1 1 calc R U . . .
C119 C -0.0209(3) 0.5080(3) 0.22969(18) 0.0287(12) Uani 1 1 d . . . . .
H11A H -0.0669 0.4852 0.2001 0.043 Uiso 1 1 calc R U . . .
H11B H -0.0459 0.4914 0.2571 0.043 Uiso 1 1 calc R U . . .
H11C H 0.0310 0.4837 0.2227 0.043 Uiso 1 1 calc R U . . .
C120 C -0.0217(3) 0.7219(3) 0.41009(17) 0.0212(11) Uani 1 1 d . . . . .
H120 H -0.0118 0.6643 0.3913 0.025 Uiso 1 1 calc R U . . .
C121 C -0.0957(3) 0.7410(3) 0.38871(16) 0.0213(11) Uani 1 1 d . . . . .
H121 H -0.1291 0.6943 0.3577 0.026 Uiso 1 1 calc R U . . .
C122 C -0.1548(3) 0.7920(3) 0.41839(18) 0.0272(12) Uani 1 1 d . . . . .
H12A H -0.1558 0.7798 0.4504 0.033 Uiso 1 1 calc R U . . .
H12B H -0.2170 0.7701 0.4002 0.033 Uiso 1 1 calc R U . . .
C123 C -0.1254(3) 0.8915(3) 0.42906(18) 0.0260(11) Uani 1 1 d . . . . .
H12C H -0.1563 0.9064 0.4021 0.031 Uiso 1 1 calc R U . . .
H12D H -0.1456 0.9202 0.4603 0.031 Uiso 1 1 calc R U . . .
C124 C -0.0242(3) 0.9288(3) 0.43360(16) 0.0198(10) Uani 1 1 d . . . . .
H124 H -0.0068 0.9900 0.4322 0.024 Uiso 1 1 calc R U . . .
C125 C 0.0407(3) 0.9072(3) 0.46041(15) 0.0191(10) Uani 1 1 d . . . . .
H125 H 0.0970 0.9552 0.4742 0.023 Uiso 1 1 calc R U . . .
C126 C 0.0193(3) 0.8479(3) 0.49211(16) 0.0212(10) Uani 1 1 d . . . . .
H12E H -0.0389 0.8520 0.5036 0.025 Uiso 1 1 calc R U . . .
H12F H 0.0662 0.8689 0.5218 0.025 Uiso 1 1 calc R U . . .
C127 C 0.0142(4) 0.7511(3) 0.46472(17) 0.0276(12) Uani 1 1 d . . . . .
H12G H 0.0751 0.7416 0.4689 0.033 Uiso 1 1 calc R U . . .
H12H H -0.0249 0.7140 0.4805 0.033 Uiso 1 1 calc R U . . .
C129 C 0.2208(3) 0.7955(3) 0.41259(16) 0.0207(11) Uani 1 1 d . . . . .
C130 C 0.3075(4) 0.7795(4) 0.42633(19) 0.0354(14) Uani 1 1 d . . . . .
H13A H 0.3548 0.8151 0.4145 0.053 Uiso 1 1 calc R U . . .
H13B H 0.3049 0.7175 0.4112 0.053 Uiso 1 1 calc R U . . .
H13C H 0.3208 0.7951 0.4625 0.053 Uiso 1 1 calc R U . . .
C133 C 0.2028(4) 1.0539(3) 0.27470(18) 0.0334(13) Uani 1 1 d . . . . .
H13D H 0.1570 1.0829 0.2882 0.050 Uiso 1 1 calc R U . . .
H13E H 0.2297 1.0808 0.2510 0.050 Uiso 1 1 calc R U . . .
H13F H 0.2497 1.0603 0.3018 0.050 Uiso 1 1 calc R U . . .
C131 C 0.0510(4) 0.9227(4) 0.19605(18) 0.0326(13) Uani 1 1 d . . . . .
H13J H 0.0182 0.8609 0.1826 0.049 Uiso 1 1 calc R U . . .
H13K H 0.0722 0.9435 0.1691 0.049 Uiso 1 1 calc R U . . .
H13L H 0.0110 0.9570 0.2121 0.049 Uiso 1 1 calc R U . . .
C132 C 0.2395(3) 0.8907(4) 0.21329(19) 0.0335(13) Uani 1 1 d . . . . .
H13G H 0.2931 0.9064 0.2383 0.050 Uiso 1 1 calc R U . . .
H13H H 0.2546 0.9153 0.1867 0.050 Uiso 1 1 calc R U . . .
H13I H 0.2185 0.8269 0.1995 0.050 Uiso 1 1 calc R U . . .
C201 C 0.1793(3) 0.1963(3) 0.12117(16) 0.0195(10) Uani 1 1 d . . . . .
C202 C 0.2669(3) 0.1998(3) 0.1402(2) 0.0309(12) Uani 1 1 d . . . . .
H202 H 0.3069 0.2545 0.1585 0.037 Uiso 1 1 calc R U . . .
C203 C 0.2962(4) 0.1229(4) 0.1325(2) 0.0421(15) Uani 1 1 d . . . . .
H203 H 0.3555 0.1255 0.1460 0.050 Uiso 1 1 calc R U . . .
C204 C 0.2384(4) 0.0434(4) 0.1050(2) 0.0390(14) Uani 1 1 d . . . . .
H204 H 0.2580 -0.0087 0.1001 0.047 Uiso 1 1 calc R U . . .
C205 C 0.1527(4) 0.0392(3) 0.08482(19) 0.0306(12) Uani 1 1 d . . . . .
H205 H 0.1138 -0.0155 0.0654 0.037 Uiso 1 1 calc R U . . .
C206 C 0.1229(3) 0.1150(3) 0.09289(17) 0.0236(11) Uani 1 1 d . . . . .
H206 H 0.0635 0.1115 0.0790 0.028 Uiso 1 1 calc R U . . .
C207 C 0.0214(3) 0.2656(3) 0.11782(16) 0.0160(10) Uani 1 1 d . . . . .
C208 C -0.0150(3) 0.2268(3) 0.06775(16) 0.0217(10) Uani 1 1 d . . . . .
H208 H 0.0230 0.2104 0.0440 0.026 Uiso 1 1 calc R U . . .
C209 C -0.1069(3) 0.2120(3) 0.05246(17) 0.0242(11) Uani 1 1 d . . . . .
H209 H -0.1311 0.1861 0.0183 0.029 Uiso 1 1 calc R U . . .
C210 C -0.1631(3) 0.2349(3) 0.0869(2) 0.0276(12) Uani 1 1 d . . . . .
H210 H -0.2259 0.2234 0.0764 0.033 Uiso 1 1 calc R U . . .
C211 C -0.1278(3) 0.2744(3) 0.13665(18) 0.0257(11) Uani 1 1 d . . . . .
H211 H -0.1661 0.2911 0.1601 0.031 Uiso 1 1 calc R U . . .
C212 C -0.0366(3) 0.2896(3) 0.15204(17) 0.0215(11) Uani 1 1 d . . . . .
H212 H -0.0128 0.3167 0.1862 0.026 Uiso 1 1 calc R U . . .
C213 C 0.1947(3) 0.4303(3) 0.21892(15) 0.0174(10) Uani 1 1 d . . . . .
C214 C 0.2191(3) 0.4766(3) 0.18562(15) 0.0175(10) Uani 1 1 d . . . . .
C215 C 0.2463(3) 0.5681(3) 0.20507(16) 0.0210(11) Uani 1 1 d . . . . .
H215 H 0.2624 0.6007 0.1832 0.025 Uiso 1 1 calc R U . . .
C216 C 0.2507(3) 0.6135(3) 0.25530(16) 0.0197(10) Uani 1 1 d . . . . .
C217 C 0.2275(3) 0.5652(3) 0.28707(16) 0.0233(11) Uani 1 1 d . . . . .
H217 H 0.2301 0.5945 0.3213 0.028 Uiso 1 1 calc R U . . .
C218 C 0.2007(3) 0.4750(3) 0.26938(16) 0.0234(11) Uani 1 1 d . . . . .
H218 H 0.1861 0.4429 0.2917 0.028 Uiso 1 1 calc R U . . .
C219 C 0.2790(3) 0.7119(3) 0.27456(17) 0.0270(12) Uani 1 1 d . . . . .
H21A H 0.2287 0.7341 0.2873 0.041 Uiso 1 1 calc R U . . .
H21B H 0.2963 0.7347 0.2476 0.041 Uiso 1 1 calc R U . . .
H21C H 0.3303 0.7310 0.3012 0.041 Uiso 1 1 calc R U . . .
C220 C 0.2698(3) 0.5227(3) 0.08367(17) 0.0233(11) Uani 1 1 d . . . . .
H220 H 0.2554 0.5782 0.1023 0.028 Uiso 1 1 calc R U . . .
C221 C 0.3424(3) 0.5058(3) 0.10721(16) 0.0204(11) Uani 1 1 d . . . . .
H221 H 0.3711 0.5516 0.1395 0.024 Uiso 1 1 calc R U . . .
C222 C 0.4066(3) 0.4579(3) 0.08069(17) 0.0254(12) Uani 1 1 d . . . . .
H22A H 0.4457 0.4453 0.1055 0.031 Uiso 1 1 calc R U . . .
H22B H 0.4458 0.4973 0.0663 0.031 Uiso 1 1 calc R U . . .
C223 C 0.3626(3) 0.3728(3) 0.03971(19) 0.0320(12) Uani 1 1 d . . . . .
H22C H 0.4029 0.3331 0.0374 0.038 Uiso 1 1 calc R U . . .
H22D H 0.3567 0.3853 0.0078 0.038 Uiso 1 1 calc R U . . .
C224 C 0.2697(3) 0.3257(3) 0.04679(16) 0.0233(11) Uani 1 1 d . . . . .
H224 H 0.2641 0.2638 0.0459 0.028 Uiso 1 1 calc R U . . .
C225 C 0.1914(3) 0.3411(3) 0.02762(15) 0.0203(11) Uani 1 1 d . . . . .
H225 H 0.1393 0.2881 0.0158 0.024 Uiso 1 1 calc R U . . .
C226 C 0.1867(4) 0.4081(3) 0.00153(16) 0.0286(12) Uani 1 1 d . . . . .
H22E H 0.1238 0.4129 -0.0025 0.034 Uiso 1 1 calc R U . . .
H22F H 0.2023 0.3865 -0.0321 0.034 Uiso 1 1 calc R U . . .
C227 C 0.2475(3) 0.4985(3) 0.02738(17) 0.0251(11) Uani 1 1 d . . . . .
H22G H 0.2183 0.5419 0.0197 0.030 Uiso 1 1 calc R U . . .
H22H H 0.3045 0.5032 0.0135 0.030 Uiso 1 1 calc R U . . .
C229 C 0.0243(3) 0.4505(3) 0.08667(15) 0.0184(10) Uani 1 1 d . . . . .
C230 C -0.0660(3) 0.4619(4) 0.07628(17) 0.0270(12) Uani 1 1 d . . . . .
H23J H -0.0876 0.4373 0.0406 0.040 Uiso 1 1 calc R U . . .
H23K H -0.0640 0.5243 0.0873 0.040 Uiso 1 1 calc R U . . .
H23L H -0.1069 0.4316 0.0940 0.040 Uiso 1 1 calc R U . . .
C231 C 0.0789(4) 0.1573(3) 0.20722(17) 0.0289(12) Uani 1 1 d . . . . .
H23A H 0.0322 0.1535 0.1806 0.043 Uiso 1 1 calc R U . . .
H23B H 0.0515 0.1283 0.2299 0.043 Uiso 1 1 calc R U . . .
H23C H 0.1243 0.1286 0.1929 0.043 Uiso 1 1 calc R U . . .
C232 C 0.0466(4) 0.3141(4) 0.27955(17) 0.0320(13) Uani 1 1 d . . . . .
H23D H 0.0409 0.3698 0.2757 0.048 Uiso 1 1 calc R U . . .
H23E H 0.0657 0.3223 0.3146 0.048 Uiso 1 1 calc R U . . .
H23F H -0.0116 0.2708 0.2679 0.048 Uiso 1 1 calc R U . . .
C233 C 0.2408(4) 0.2839(4) 0.28097(18) 0.0363(13) Uani 1 1 d . . . . .
H23G H 0.2794 0.2546 0.2601 0.054 Uiso 1 1 calc R U . . .
H23H H 0.2275 0.2563 0.3066 0.054 Uiso 1 1 calc R U . . .
H23I H 0.2718 0.3458 0.2967 0.054 Uiso 1 1 calc R U . . .
C301 C 0.5729(3) 0.5475(3) 0.37150(17) 0.0209(10) Uani 1 1 d . . . . .
C302 C 0.4850(3) 0.5407(3) 0.35030(19) 0.0296(12) Uani 1 1 d . . . . .
H302 H 0.4475 0.4853 0.3308 0.035 Uiso 1 1 calc R U . . .
C303 C 0.4528(4) 0.6150(4) 0.3578(2) 0.0368(13) Uani 1 1 d . . . . .
H303 H 0.3936 0.6103 0.3432 0.044 Uiso 1 1 calc R U . . .
C304 C 0.5069(4) 0.6963(4) 0.3867(2) 0.0357(13) Uani 1 1 d . . . . .
H304 H 0.4849 0.7470 0.3914 0.043 Uiso 1 1 calc R U . . .
C305 C 0.5928(3) 0.7031(3) 0.40845(19) 0.0299(12) Uani 1 1 d . . . . .
H305 H 0.6294 0.7583 0.4288 0.036 Uiso 1 1 calc R U . . .
C306 C 0.6256(3) 0.6288(3) 0.40049(17) 0.0222(10) Uani 1 1 d . . . . .
H306 H 0.6849 0.6340 0.4152 0.027 Uiso 1 1 calc R U . . .
C307 C 0.7333(3) 0.4831(3) 0.37758(15) 0.0152(9) Uani 1 1 d . . . . .
C308 C 0.7948(3) 0.4608(3) 0.34563(16) 0.0178(10) Uani 1 1 d . . . . .
H308 H 0.7744 0.4338 0.3111 0.021 Uiso 1 1 calc R U . . .
C309 C 0.8857(3) 0.4782(3) 0.36415(17) 0.0227(11) Uani 1 1 d . . . . .
H309 H 0.9268 0.4633 0.3420 0.027 Uiso 1 1 calc R U . . .
C310 C 0.9166(3) 0.5165(3) 0.41400(18) 0.0267(11) Uani 1 1 d . . . . .
H310 H 0.9786 0.5274 0.4264 0.032 Uiso 1 1 calc R U . . .
C311 C 0.8563(3) 0.5392(3) 0.44630(18) 0.0266(12) Uani 1 1 d . . . . .
H311 H 0.8775 0.5666 0.4807 0.032 Uiso 1 1 calc R U . . .
C312 C 0.7661(3) 0.5222(3) 0.42854(16) 0.0197(10) Uani 1 1 d . . . . .
H312 H 0.7255 0.5370 0.4510 0.024 Uiso 1 1 calc R U . . .
C313 C 0.5629(3) 0.3135(3) 0.27482(16) 0.0195(10) Uani 1 1 d . . . . .
C314 C 0.5381(3) 0.2684(3) 0.30826(15) 0.0177(10) Uani 1 1 d . . . . .
C315 C 0.5109(3) 0.1767(3) 0.28921(16) 0.0174(10) Uani 1 1 d . . . . .
H315 H 0.4961 0.1447 0.3115 0.021 Uiso 1 1 calc R U . . .
C316 C 0.5044(3) 0.1306(3) 0.23932(16) 0.0196(10) Uani 1 1 d . . . . .
C317 C 0.5273(3) 0.1781(3) 0.20717(16) 0.0228(11) Uani 1 1 d . . . . .
H317 H 0.5235 0.1483 0.1729 0.027 Uiso 1 1 calc R U . . .
C318 C 0.5558(3) 0.2687(3) 0.22453(16) 0.0229(11) Uani 1 1 d . . . . .
H318 H 0.5706 0.3003 0.2020 0.028 Uiso 1 1 calc R U . . .
C319 C 0.4755(3) 0.0320(3) 0.22015(17) 0.0227(11) Uani 1 1 d . . . . .
H31A H 0.4574 0.0094 0.2471 0.034 Uiso 1 1 calc R U . . .
H31B H 0.5257 0.0093 0.2077 0.034 Uiso 1 1 calc R U . . .
H31C H 0.4245 0.0131 0.1932 0.034 Uiso 1 1 calc R U . . .
C320 C 0.4881(3) 0.2232(3) 0.41150(16) 0.0190(10) Uani 1 1 d . . . . .
H320 H 0.5041 0.1681 0.3935 0.023 Uiso 1 1 calc R U . . .
C321 C 0.4158(3) 0.2382(3) 0.38694(16) 0.0203(11) Uani 1 1 d . . . . .
H321 H 0.3886 0.1916 0.3547 0.024 Uiso 1 1 calc R U . . .
C322 C 0.3492(3) 0.2838(3) 0.41248(17) 0.0234(11) Uani 1 1 d . . . . .
H32A H 0.3103 0.2437 0.4266 0.028 Uiso 1 1 calc R U . . .
H32B H 0.3102 0.2957 0.3873 0.028 Uiso 1 1 calc R U . . .
C323 C 0.3924(3) 0.3706(3) 0.45428(18) 0.0272(11) Uani 1 1 d . . . . .
H32C H 0.3510 0.4093 0.4566 0.033 Uiso 1 1 calc R U . . .
H32D H 0.3990 0.3582 0.4861 0.033 Uiso 1 1 calc R U . . .
C324 C 0.4842(3) 0.4192(3) 0.44717(16) 0.0226(11) Uani 1 1 d . . . . .
H324 H 0.4881 0.4807 0.4478 0.027 Uiso 1 1 calc R U . . .
C325 C 0.5634(3) 0.4060(3) 0.46595(16) 0.0200(10) Uani 1 1 d . . . . .
H325 H 0.6142 0.4600 0.4774 0.024 Uiso 1 1 calc R U . . .
C326 C 0.5710(3) 0.3411(3) 0.49314(16) 0.0255(11) Uani 1 1 d . . . . .
H32E H 0.5561 0.3634 0.5268 0.031 Uiso 1 1 calc R U . . .
H32F H 0.6342 0.3372 0.4968 0.031 Uiso 1 1 calc R U . . .
C327 C 0.5098(3) 0.2490(3) 0.46750(17) 0.0256(11) Uani 1 1 d . . . . .
H32G H 0.5390 0.2062 0.4759 0.031 Uiso 1 1 calc R U . . .
H32H H 0.4526 0.2446 0.4812 0.031 Uiso 1 1 calc R U . . .
C329 C 0.7352(3) 0.3033(3) 0.41201(15) 0.0188(10) Uani 1 1 d . . . . .
C330 C 0.8254(3) 0.2963(3) 0.42612(17) 0.0250(11) Uani 1 1 d . . . . .
H33J H 0.8685 0.3312 0.4115 0.037 Uiso 1 1 calc R U . . .
H33K H 0.8274 0.2350 0.4140 0.037 Uiso 1 1 calc R U . . .
H33L H 0.8411 0.3181 0.4623 0.037 Uiso 1 1 calc R U . . .
C331 C 0.5213(4) 0.4605(4) 0.21127(19) 0.0370(14) Uani 1 1 d . . . . .
H33A H 0.4938 0.3990 0.1922 0.056 Uiso 1 1 calc R U . . .
H33B H 0.5358 0.4941 0.1884 0.056 Uiso 1 1 calc R U . . .
H33C H 0.4792 0.4839 0.2320 0.056 Uiso 1 1 calc R U . . .
C332 C 0.6808(4) 0.5853(3) 0.28639(18) 0.0303(12) Uani 1 1 d . . . . .
H33D H 0.6352 0.6144 0.2999 0.046 Uiso 1 1 calc R U . . .
H33E H 0.7099 0.6141 0.2640 0.046 Uiso 1 1 calc R U . . .
H33F H 0.7261 0.5888 0.3136 0.046 Uiso 1 1 calc R U . . .
C333 C 0.7115(4) 0.4264(4) 0.21448(18) 0.0329(13) Uani 1 1 d . . . . .
H33G H 0.7706 0.4681 0.2265 0.049 Uiso 1 1 calc R U . . .
H33H H 0.6935 0.4190 0.1794 0.049 Uiso 1 1 calc R U . . .
H33I H 0.7147 0.3700 0.2182 0.049 Uiso 1 1 calc R U . . .
C401 C 0.5319(3) 0.7691(3) 0.12740(15) 0.0168(10) Uani 1 1 d . . . . .
C402 C 0.5178(3) 0.7164(3) 0.07773(16) 0.0214(10) Uani 1 1 d . . . . .
H402 H 0.5666 0.6982 0.0633 0.026 Uiso 1 1 calc R U . . .
C403 C 0.4332(4) 0.6906(3) 0.04956(18) 0.0296(12) Uani 1 1 d . . . . .
H403 H 0.4241 0.6551 0.0159 0.035 Uiso 1 1 calc R U . . .
C404 C 0.3620(4) 0.7166(3) 0.0705(2) 0.0331(13) Uani 1 1 d . . . . .
H404 H 0.3041 0.6995 0.0510 0.040 Uiso 1 1 calc R U . . .
C405 C 0.3748(3) 0.7677(3) 0.1199(2) 0.0312(12) Uani 1 1 d . . . . .
H405 H 0.3254 0.7843 0.1344 0.037 Uiso 1 1 calc R U . . .
C406 C 0.4600(3) 0.7947(3) 0.14831(17) 0.0218(11) Uani 1 1 d . . . . .
H406 H 0.4689 0.8305 0.1819 0.026 Uiso 1 1 calc R U . . .
C407 C 0.6999(3) 0.7287(3) 0.15842(17) 0.0199(10) Uani 1 1 d . . . . .
C408 C 0.6609(4) 0.6406(3) 0.13251(18) 0.0276(11) Uani 1 1 d . . . . .
H408 H 0.6021 0.6230 0.1141 0.033 Uiso 1 1 calc R U . . .
C409 C 0.7088(4) 0.5790(4) 0.1338(2) 0.0347(13) Uani 1 1 d . . . . .
H409 H 0.6833 0.5192 0.1154 0.042 Uiso 1 1 calc R U . . .
C410 C 0.7943(4) 0.6048(4) 0.1619(2) 0.0403(14) Uani 1 1 d . . . . .
H410 H 0.8262 0.5622 0.1630 0.048 Uiso 1 1 calc R U . . .
C411 C 0.8333(4) 0.6922(4) 0.1884(2) 0.0385(14) Uani 1 1 d . . . . .
H411 H 0.8914 0.7097 0.2077 0.046 Uiso 1 1 calc R U . . .
C412 C 0.7854(3) 0.7531(4) 0.18611(19) 0.0304(12) Uani 1 1 d . . . . .
H412 H 0.8117 0.8130 0.2039 0.036 Uiso 1 1 calc R U . . .
C413 C 0.6797(3) 0.9626(3) 0.23399(15) 0.0142(9) Uani 1 1 d . . . . .
C414 C 0.7145(3) 1.0008(3) 0.19884(15) 0.0150(10) Uani 1 1 d . . . . .
C415 C 0.7470(3) 1.0918(3) 0.21461(16) 0.0182(10) Uani 1 1 d . . . . .
H415 H 0.7715 1.1187 0.1917 0.022 Uiso 1 1 calc R U . . .
C416 C 0.7451(3) 1.1450(3) 0.26222(15) 0.0180(10) Uani 1 1 d . . . . .
C417 C 0.7125(3) 1.1046(3) 0.29570(15) 0.0167(10) Uani 1 1 d . . . . .
H417 H 0.7116 1.1393 0.3286 0.020 Uiso 1 1 calc R U . . .
C418 C 0.6810(3) 1.0148(3) 0.28240(15) 0.0185(10) Uani 1 1 d . . . . .
H418 H 0.6603 0.9885 0.3063 0.022 Uiso 1 1 calc R U . . .
C419 C 0.7765(3) 1.2435(3) 0.27625(17) 0.0266(12) Uani 1 1 d . . . . .
H41A H 0.7246 1.2686 0.2809 0.040 Uiso 1 1 calc R U . . .
H41B H 0.8059 1.2594 0.2498 0.040 Uiso 1 1 calc R U . . .
H41C H 0.8193 1.2662 0.3072 0.040 Uiso 1 1 calc R U . . .
C420 C 0.7687(3) 1.0308(3) 0.09541(16) 0.0239(11) Uani 1 1 d . . . . .
H420 H 0.7571 1.0877 0.1140 0.029 Uiso 1 1 calc R U . . .
C421 C 0.8434(3) 1.0138(3) 0.11689(17) 0.0229(11) Uani 1 1 d . . . . .
H421 H 0.8758 1.0610 0.1479 0.028 Uiso 1 1 calc R U . . .
C422 C 0.9039(3) 0.9646(3) 0.08776(18) 0.0272(12) Uani 1 1 d . . . . .
H42A H 0.9658 0.9878 0.1063 0.033 Uiso 1 1 calc R U . . .
H42B H 0.9050 0.9770 0.0558 0.033 Uiso 1 1 calc R U . . .
C423 C 0.8771(3) 0.8648(3) 0.07681(18) 0.0281(12) Uani 1 1 d . . . . .
H42C H 0.8979 0.8371 0.0456 0.034 Uiso 1 1 calc R U . . .
H42D H 0.9088 0.8504 0.1037 0.034 Uiso 1 1 calc R U . . .
C424 C 0.7772(3) 0.8257(3) 0.07213(15) 0.0209(11) Uani 1 1 d . . . . .
H424 H 0.7617 0.7647 0.0738 0.025 Uiso 1 1 calc R U . . .
C425 C 0.7108(3) 0.8446(3) 0.04542(15) 0.0201(11) Uani 1 1 d . . . . .
H425 H 0.6557 0.7951 0.0316 0.024 Uiso 1 1 calc R U . . .
C426 C 0.7303(3) 0.9041(3) 0.01362(16) 0.0248(11) Uani 1 1 d . . . . .
H42E H 0.6834 0.8818 -0.0161 0.030 Uiso 1 1 calc R U . . .
H42F H 0.7888 0.9011 0.0021 0.030 Uiso 1 1 calc R U . . .
C427 C 0.7335(4) 1.0003(3) 0.03998(16) 0.0255(12) Uani 1 1 d . . . . .
H42G H 0.7725 1.0375 0.0242 0.031 Uiso 1 1 calc R U . . .
H42H H 0.6722 1.0087 0.0352 0.031 Uiso 1 1 calc R U . . .
C429 C 0.5262(4) 0.9449(3) 0.08693(16) 0.0234(11) Uani 1 1 d . . . . .
C430 C 0.4379(4) 0.9513(4) 0.0685(2) 0.0355(13) Uani 1 1 d . . . . .
H43J H 0.3925 0.9242 0.0853 0.053 Uiso 1 1 calc R U . . .
H43K H 0.4235 0.9211 0.0327 0.053 Uiso 1 1 calc R U . . .
H43L H 0.4383 1.0130 0.0751 0.053 Uiso 1 1 calc R U . . .
C431 C 0.5473(3) 0.6981(3) 0.23046(17) 0.0280(12) Uani 1 1 d . . . . .
H43A H 0.5019 0.6932 0.2030 0.042 Uiso 1 1 calc R U . . .
H43B H 0.5181 0.6720 0.2538 0.042 Uiso 1 1 calc R U . . .
H43C H 0.5922 0.6674 0.2175 0.042 Uiso 1 1 calc R U . . .
C432 C 0.5150(3) 0.8625(4) 0.29366(18) 0.0332(13) Uani 1 1 d . . . . .
H43D H 0.5421 0.9226 0.3151 0.050 Uiso 1 1 calc R U . . .
H43E H 0.4885 0.8271 0.3137 0.050 Uiso 1 1 calc R U . . .
H43F H 0.4680 0.8623 0.2683 0.050 Uiso 1 1 calc R U . . .
C433 C 0.7026(4) 0.8274(4) 0.30884(18) 0.0333(13) Uani 1 1 d . . . . .
H43G H 0.7456 0.7985 0.2917 0.050 Uiso 1 1 calc R U . . .
H43H H 0.6826 0.8004 0.3338 0.050 Uiso 1 1 calc R U . . .
H43I H 0.7318 0.8896 0.3251 0.050 Uiso 1 1 calc R U . . .
N1 N 0.1098(3) 0.8827(3) 0.28658(13) 0.0202(9) Uani 1 1 d . . . . .
N2 N 0.1607(3) 0.3358(2) 0.20043(13) 0.0190(8) Uani 1 1 d . . . . .
N3 N 0.5970(3) 0.4082(2) 0.29330(13) 0.0197(9) Uani 1 1 d . . . . .
N4 N 0.6429(2) 0.8687(2) 0.21916(12) 0.0147(8) Uani 1 1 d . . . . .
N128 N 0.1530(3) 0.8080(2) 0.40213(13) 0.0173(9) Uani 1 1 d . . . . .
N228 N 0.0935(3) 0.4397(2) 0.09491(13) 0.0174(9) Uani 1 1 d . . . . .
N328 N 0.6650(3) 0.3108(3) 0.40134(13) 0.0186(9) Uani 1 1 d . . . . .
N428 N 0.5948(3) 0.9393(3) 0.10142(13) 0.0187(9) Uani 1 1 d . . . . .
F73 F 0.60772(18) 0.0476(2) 0.47293(10) 0.0319(7) Uani 1 1 d . . . . .
F76 F 0.6092(2) 0.0477(3) 0.39390(11) 0.0617(12) Uani 1 1 d . . . . .
F83 F 0.1503(3) 0.5827(3) 0.45480(12) 0.0717(13) Uani 1 1 d . . . . .
F72 F 0.6656(2) -0.0499(2) 0.42007(13) 0.0555(10) Uani 1 1 d . . . . .
F71 F 0.7576(2) 0.0605(2) 0.48187(11) 0.0436(9) Uani 1 1 d . . . . .
F64 F 0.4846(2) 0.2056(3) 0.02105(11) 0.0483(9) Uani 1 1 d . . . . .
F65 F 0.6331(2) 0.2254(3) 0.03477(12) 0.0614(12) Uani 1 1 d . . . . .
F75 F 0.7593(2) 0.0590(2) 0.40244(11) 0.0418(8) Uani 1 1 d . . . . .
F63 F 0.4804(3) 0.2217(5) 0.10146(15) 0.116(2) Uani 1 1 d . . . . .
F74 F 0.7017(3) 0.1573(2) 0.45566(13) 0.0538(10) Uani 1 1 d . . . . .
F56 F 0.0155(2) 0.7245(3) 0.02987(12) 0.0517(10) Uani 1 1 d . . . . .
F52 F 0.1571(2) 0.7085(3) 0.03380(12) 0.0490(9) Uani 1 1 d . . . . .
F53 F 0.0482(3) 0.6043(2) 0.04318(13) 0.0606(11) Uani 1 1 d . . . . .
F51 F 0.1506(2) 0.6932(3) 0.10987(12) 0.0604(11) Uani 1 1 d . . . . .
F54 F 0.0054(2) 0.7019(2) 0.10356(11) 0.0442(9) Uani 1 1 d . . . . .
F55 F 0.1178(3) 0.8092(3) 0.09442(16) 0.0763(13) Uani 1 1 d . . . . .
F66 F 0.5697(3) 0.3272(3) 0.07785(16) 0.0842(14) Uani 1 1 d . . . . .
F86 F 0.1145(2) 0.5070(2) 0.37385(10) 0.0405(8) Uani 1 1 d . . . . .
F84 F 0.2601(2) 0.5666(3) 0.40773(13) 0.0659(12) Uani 1 1 d . . . . .
F85 F 0.2065(3) 0.4229(3) 0.38350(13) 0.0751(14) Uani 1 1 d . . . . .
F81 F 0.2428(2) 0.5004(2) 0.46568(11) 0.0449(9) Uani 1 1 d . . . . .
F82 F 0.0967(2) 0.4371(3) 0.43008(14) 0.0665(12) Uani 1 1 d . . . . .
F62 F 0.6301(2) 0.2465(3) 0.11684(11) 0.0608(12) Uani 1 1 d . . . . .
F61 F 0.5475(4) 0.1258(3) 0.0592(2) 0.113(2) Uani 1 1 d . . . . .
Si1 Si 0.14935(9) 0.93512(9) 0.24248(5) 0.0245(3) Uani 1 1 d . . . . .
Si2 Si 0.13331(9) 0.27447(9) 0.24191(5) 0.0239(3) Uani 1 1 d . . . . .
Si3 Si 0.62640(10) 0.46876(9) 0.25154(5) 0.0253(3) Uani 1 1 d . . . . .
Si4 Si 0.60363(9) 0.81568(9) 0.26298(4) 0.0206(3) Uani 1 1 d . . . . .
P1 P 0.10623(8) 0.93394(8) 0.34631(4) 0.0152(2) Uani 1 1 d . . . . .
P2 P 0.14248(8) 0.29760(8) 0.13807(4) 0.0154(2) Uani 1 1 d . . . . .
P3 P 0.61269(8) 0.44809(8) 0.35570(4) 0.0156(2) Uani 1 1 d . . . . .
P4 P 0.64584(8) 0.81736(8) 0.15935(4) 0.0137(2) Uani 1 1 d . . . . .
P5 P 0.08235(9) 0.70796(10) 0.06963(4) 0.0276(3) Uani 1 1 d . . . . .
P6 P 0.55757(9) 0.22655(11) 0.06920(5) 0.0323(3) Uani 1 1 d . . . . .
P7 P 0.68366(9) 0.05314(9) 0.43758(4) 0.0244(3) Uani 1 1 d . . . . .
P8 P 0.17879(9) 0.50363(10) 0.41961(4) 0.0268(3) Uani 1 1 d . . . . .
Ir1 Ir 0.03027(2) 0.83173(2) 0.37682(2) 0.01429(4) Uani 1 1 d D . . . .
Ir2 Ir 0.21641(2) 0.40757(2) 0.11235(2) 0.01390(5) Uani 1 1 d D . . . .
Ir3 Ir 0.54014(2) 0.33838(2) 0.38192(2) 0.01443(4) Uani 1 1 d D . . . .
Ir4 Ir 0.71947(2) 0.92027(2) 0.12839(2) 0.01329(4) Uani 1 1 d D . . . .
H1M H -0.059(2) 0.837(4) 0.3469(19) 0.059(19) Uiso 1 1 d D . . . .
H2M H 0.299(2) 0.382(3) 0.1365(17) 0.037(15) Uiso 1 1 d D . . . .
H3M H 0.454(2) 0.360(4) 0.3588(18) 0.047(17) Uiso 1 1 d D . . . .
H4M H 0.798(3) 0.899(4) 0.1597(18) 0.061(19) Uiso 1 1 d 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'
F F 0.0171 0.0103 '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'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C106 C101 C102 119.0(5) . . ?
C106 C101 P1 124.8(4) . . ?
C102 C101 P1 116.3(4) . . ?
C103 C102 C101 121.1(5) . . ?
C103 C102 H102 119.5 . . ?
C101 C102 H102 119.5 . . ?
C102 C103 C104 119.6(5) . . ?
C102 C103 H103 120.2 . . ?
C104 C103 H103 120.2 . . ?
C105 C104 C103 119.8(5) . . ?
C105 C104 H104 120.1 . . ?
C103 C104 H104 120.1 . . ?
C104 C105 C106 120.8(5) . . ?
C104 C105 H105 119.6 . . ?
C106 C105 H105 119.6 . . ?
C101 C106 C105 119.7(5) . . ?
C101 C106 H106 120.1 . . ?
C105 C106 H106 120.1 . . ?
C112 C107 C108 117.8(4) . . ?
C112 C107 P1 120.6(3) . . ?
C108 C107 P1 120.6(3) . . ?
C109 C108 C107 121.3(4) . . ?
C109 C108 H108 119.3 . . ?
C107 C108 H108 119.3 . . ?
C108 C109 C110 119.5(4) . . ?
C108 C109 H109 120.3 . . ?
C110 C109 H109 120.3 . . ?
C111 C110 C109 120.3(5) . . ?
C111 C110 H110 119.8 . . ?
C109 C110 H110 119.8 . . ?
C110 C111 C112 120.0(5) . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 C107 121.1(4) . . ?
C111 C112 H112 119.5 . . ?
C107 C112 H112 119.5 . . ?
C118 C113 C114 120.5(4) . . ?
C118 C113 N1 120.1(4) . . ?
C114 C113 N1 119.3(4) . . ?
C115 C114 C113 116.3(4) . . ?
C115 C114 Ir1 124.4(3) . . ?
C113 C114 Ir1 119.3(3) . . ?
C114 C115 C116 124.6(4) . . ?
C114 C115 H115 117.7 . . ?
C116 C115 H115 117.7 . . ?
C117 C116 C115 116.7(4) . . ?
C117 C116 C119 120.9(4) . . ?
C115 C116 C119 122.4(4) . . ?
C118 C117 C116 121.0(4) . . ?
C118 C117 H117 119.5 . . ?
C116 C117 H117 119.5 . . ?
C117 C118 C113 120.7(4) . . ?
C117 C118 H118 119.7 . . ?
C113 C118 H118 119.7 . . ?
C116 C119 H11A 109.5 . . ?
C116 C119 H11B 109.5 . . ?
H11A C119 H11B 109.5 . . ?
C116 C119 H11C 109.5 . . ?
H11A C119 H11C 109.5 . . ?
H11B C119 H11C 109.5 . . ?
C121 C120 C127 126.0(4) . . ?
C121 C120 Ir1 71.8(3) . . ?
C127 C120 Ir1 110.3(3) . . ?
C121 C120 H120 113.6 . . ?
C127 C120 H120 113.6 . . ?
Ir1 C120 H120 113.6 . . ?
C120 C121 C122 123.6(4) . . ?
C120 C121 Ir1 73.0(3) . . ?
C122 C121 Ir1 111.8(3) . . ?
C120 C121 H121 113.9 . . ?
C122 C121 H121 113.9 . . ?
Ir1 C121 H121 113.9 . . ?
C121 C122 C123 115.1(4) . . ?
C121 C122 H12A 108.5 . . ?
C123 C122 H12A 108.5 . . ?
C121 C122 H12B 108.5 . . ?
C123 C122 H12B 108.5 . . ?
H12A C122 H12B 107.5 . . ?
C124 C123 C122 114.6(4) . . ?
C124 C123 H12C 108.6 . . ?
C122 C123 H12C 108.6 . . ?
C124 C123 H12D 108.6 . . ?
C122 C123 H12D 108.6 . . ?
H12C C123 H12D 107.6 . . ?
C125 C124 C123 124.6(5) . . ?
C125 C124 Ir1 74.2(3) . . ?
C123 C124 Ir1 108.2(3) . . ?
C125 C124 H124 114.2 . . ?
C123 C124 H124 114.2 . . ?
Ir1 C124 H124 114.2 . . ?
C124 C125 C126 123.6(4) . . ?
C124 C125 Ir1 71.0(2) . . ?
C126 C125 Ir1 113.5(3) . . ?
C124 C125 H125 113.8 . . ?
C126 C125 H125 113.8 . . ?
Ir1 C125 H125 113.8 . . ?
C125 C126 C127 113.5(4) . . ?
C125 C126 H12E 108.9 . . ?
C127 C126 H12E 108.9 . . ?
C125 C126 H12F 108.9 . . ?
C127 C126 H12F 108.9 . . ?
H12E C126 H12F 107.7 . . ?
C120 C127 C126 114.3(4) . . ?
C120 C127 H12G 108.7 . . ?
C126 C127 H12G 108.7 . . ?
C120 C127 H12H 108.7 . . ?
C126 C127 H12H 108.7 . . ?
H12G C127 H12H 107.6 . . ?
N128 C129 C130 179.6(5) . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
Si1 C133 H13D 109.5 . . ?
Si1 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
Si1 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
Si1 C131 H13J 109.5 . . ?
Si1 C131 H13K 109.5 . . ?
H13J C131 H13K 109.5 . . ?
Si1 C131 H13L 109.5 . . ?
H13J C131 H13L 109.5 . . ?
H13K C131 H13L 109.5 . . ?
Si1 C132 H13G 109.5 . . ?
Si1 C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
Si1 C132 H13I 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C202 C201 C206 118.4(4) . . ?
C202 C201 P2 117.9(4) . . ?
C206 C201 P2 123.6(4) . . ?
C201 C202 C203 120.5(5) . . ?
C201 C202 H202 119.7 . . ?
C203 C202 H202 119.7 . . ?
C204 C203 C202 119.7(5) . . ?
C204 C203 H203 120.1 . . ?
C202 C203 H203 120.1 . . ?
C205 C204 C203 120.5(5) . . ?
C205 C204 H204 119.8 . . ?
C203 C204 H204 119.8 . . ?
C204 C205 C206 120.0(5) . . ?
C204 C205 H205 120.0 . . ?
C206 C205 H205 120.0 . . ?
C205 C206 C201 120.8(5) . . ?
C205 C206 H206 119.6 . . ?
C201 C206 H206 119.6 . . ?
C208 C207 C212 118.5(4) . . ?
C208 C207 P2 121.2(3) . . ?
C212 C207 P2 119.8(3) . . ?
C209 C208 C207 120.2(4) . . ?
C209 C208 H208 119.9 . . ?
C207 C208 H208 119.9 . . ?
C210 C209 C208 120.3(4) . . ?
C210 C209 H209 119.9 . . ?
C208 C209 H209 119.9 . . ?
C211 C210 C209 120.1(4) . . ?
C211 C210 H210 119.9 . . ?
C209 C210 H210 119.9 . . ?
C212 C211 C210 119.9(4) . . ?
C212 C211 H211 120.1 . . ?
C210 C211 H211 120.1 . . ?
C211 C212 C207 120.9(4) . . ?
C211 C212 H212 119.5 . . ?
C207 C212 H212 119.5 . . ?
C218 C213 C214 120.4(4) . . ?
C218 C213 N2 120.0(4) . . ?
C214 C213 N2 119.6(4) . . ?
C215 C214 C213 117.1(4) . . ?
C215 C214 Ir2 123.9(3) . . ?
C213 C214 Ir2 119.0(3) . . ?
C216 C215 C214 122.9(5) . . ?
C216 C215 H215 118.5 . . ?
C214 C215 H215 118.5 . . ?
C217 C216 C215 118.1(4) . . ?
C217 C216 C219 120.7(4) . . ?
C215 C216 C219 121.3(4) . . ?
C218 C217 C216 120.7(4) . . ?
C218 C217 H217 119.6 . . ?
C216 C217 H217 119.6 . . ?
C217 C218 C213 120.7(4) . . ?
C217 C218 H218 119.6 . . ?
C213 C218 H218 119.6 . . ?
C216 C219 H21A 109.5 . . ?
C216 C219 H21B 109.5 . . ?
H21A C219 H21B 109.5 . . ?
C216 C219 H21C 109.5 . . ?
H21A C219 H21C 109.5 . . ?
H21B C219 H21C 109.5 . . ?
C221 C220 C227 123.5(4) . . ?
C221 C220 Ir2 72.0(3) . . ?
C227 C220 Ir2 112.7(3) . . ?
C221 C220 H220 113.9 . . ?
C227 C220 H220 113.9 . . ?
Ir2 C220 H220 113.9 . . ?
C220 C221 C222 124.4(4) . . ?
C220 C221 Ir2 73.0(3) . . ?
C222 C221 Ir2 110.0(3) . . ?
C220 C221 H221 114.0 . . ?
C222 C221 H221 114.0 . . ?
Ir2 C221 H221 114.0 . . ?
C221 C222 C223 115.5(4) . . ?
C221 C222 H22A 108.4 . . ?
C223 C222 H22A 108.4 . . ?
C221 C222 H22B 108.4 . . ?
C223 C222 H22B 108.4 . . ?
H22A C222 H22B 107.5 . . ?
C222 C223 C224 114.6(4) . . ?
C222 C223 H22C 108.6 . . ?
C224 C223 H22C 108.6 . . ?
C222 C223 H22D 108.6 . . ?
C224 C223 H22D 108.6 . . ?
H22C C223 H22D 107.6 . . ?
C225 C224 C223 121.5(5) . . ?
C225 C224 Ir2 72.9(2) . . ?
C223 C224 Ir2 112.6(3) . . ?
C225 C224 H224 114.4 . . ?
C223 C224 H224 114.4 . . ?
Ir2 C224 H224 114.4 . . ?
C224 C225 C226 125.7(5) . . ?
C224 C225 Ir2 72.0(2) . . ?
C226 C225 Ir2 109.8(3) . . ?
C224 C225 H225 113.8 . . ?
C226 C225 H225 113.8 . . ?
Ir2 C225 H225 113.8 . . ?
C225 C226 C227 115.4(4) . . ?
C225 C226 H22E 108.4 . . ?
C227 C226 H22E 108.4 . . ?
C225 C226 H22F 108.4 . . ?
C227 C226 H22F 108.4 . . ?
H22E C226 H22F 107.5 . . ?
C226 C227 C220 115.3(4) . . ?
C226 C227 H22G 108.4 . . ?
C220 C227 H22G 108.4 . . ?
C226 C227 H22H 108.4 . . ?
C220 C227 H22H 108.4 . . ?
H22G C227 H22H 107.5 . . ?
N228 C229 C230 178.2(6) . . ?
C229 C230 H23J 109.5 . . ?
C229 C230 H23K 109.5 . . ?
H23J C230 H23K 109.5 . . ?
C229 C230 H23L 109.5 . . ?
H23J C230 H23L 109.5 . . ?
H23K C230 H23L 109.5 . . ?
Si2 C231 H23A 109.5 . . ?
Si2 C231 H23B 109.5 . . ?
H23A C231 H23B 109.5 . . ?
Si2 C231 H23C 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
Si2 C232 H23D 109.5 . . ?
Si2 C232 H23E 109.5 . . ?
H23D C232 H23E 109.5 . . ?
Si2 C232 H23F 109.5 . . ?
H23D C232 H23F 109.5 . . ?
H23E C232 H23F 109.5 . . ?
Si2 C233 H23G 109.5 . . ?
Si2 C233 H23H 109.5 . . ?
H23G C233 H23H 109.5 . . ?
Si2 C233 H23I 109.5 . . ?
H23G C233 H23I 109.5 . . ?
H23H C233 H23I 109.5 . . ?
C306 C301 C302 118.8(5) . . ?
C306 C301 P3 124.0(4) . . ?
C302 C301 P3 117.1(4) . . ?
C303 C302 C301 120.0(5) . . ?
C303 C302 H302 120.0 . . ?
C301 C302 H302 120.0 . . ?
C302 C303 C304 120.4(5) . . ?
C302 C303 H303 119.8 . . ?
C304 C303 H303 119.8 . . ?
C305 C304 C303 119.9(5) . . ?
C305 C304 H304 120.1 . . ?
C303 C304 H304 120.1 . . ?
C304 C305 C306 119.9(5) . . ?
C304 C305 H305 120.1 . . ?
C306 C305 H305 120.1 . . ?
C301 C306 C305 121.0(5) . . ?
C301 C306 H306 119.5 . . ?
C305 C306 H306 119.5 . . ?
C308 C307 C312 118.0(4) . . ?
C308 C307 P3 121.1(3) . . ?
C312 C307 P3 120.2(3) . . ?
C309 C308 C307 120.4(4) . . ?
C309 C308 H308 119.8 . . ?
C307 C308 H308 119.8 . . ?
C310 C309 C308 120.8(4) . . ?
C310 C309 H309 119.6 . . ?
C308 C309 H309 119.6 . . ?
C309 C310 C311 119.4(4) . . ?
C309 C310 H310 120.3 . . ?
C311 C310 H310 120.3 . . ?
C312 C311 C310 120.4(4) . . ?
C312 C311 H311 119.8 . . ?
C310 C311 H311 119.8 . . ?
C311 C312 C307 120.9(4) . . ?
C311 C312 H312 119.6 . . ?
C307 C312 H312 119.6 . . ?
C318 C313 C314 120.7(4) . . ?
C318 C313 N3 120.2(4) . . ?
C314 C313 N3 119.0(4) . . ?
C313 C314 C315 117.0(4) . . ?
C313 C314 Ir3 119.4(3) . . ?
C315 C314 Ir3 123.6(3) . . ?
C316 C315 C314 123.3(4) . . ?
C316 C315 H315 118.4 . . ?
C314 C315 H315 118.4 . . ?
C317 C316 C315 117.8(4) . . ?
C317 C316 C319 120.3(4) . . ?
C315 C316 C319 121.9(4) . . ?
C318 C317 C316 120.8(4) . . ?
C318 C317 H317 119.6 . . ?
C316 C317 H317 119.6 . . ?
C317 C318 C313 120.3(4) . . ?
C317 C318 H318 119.8 . . ?
C313 C318 H318 119.8 . . ?
C316 C319 H31A 109.5 . . ?
C316 C319 H31B 109.5 . . ?
H31A C319 H31B 109.5 . . ?
C316 C319 H31C 109.5 . . ?
H31A C319 H31C 109.5 . . ?
H31B C319 H31C 109.5 . . ?
C321 C320 C327 124.0(4) . . ?
C321 C320 Ir3 71.5(3) . . ?
C327 C320 Ir3 112.4(3) . . ?
C321 C320 H320 113.9 . . ?
C327 C320 H320 113.9 . . ?
Ir3 C320 H320 113.9 . . ?
C320 C321 C322 124.1(4) . . ?
C320 C321 Ir3 73.7(3) . . ?
C322 C321 Ir3 110.4(3) . . ?
C320 C321 H321 113.9 . . ?
C322 C321 H321 113.9 . . ?
Ir3 C321 H321 113.9 . . ?
C321 C322 C323 114.7(4) . . ?
C321 C322 H32A 108.6 . . ?
C323 C322 H32A 108.6 . . ?
C321 C322 H32B 108.6 . . ?
C323 C322 H32B 108.6 . . ?
H32A C322 H32B 107.6 . . ?
C324 C323 C322 114.3(4) . . ?
C324 C323 H32C 108.7 . . ?
C322 C323 H32C 108.7 . . ?
C324 C323 H32D 108.7 . . ?
C322 C323 H32D 108.7 . . ?
H32C C323 H32D 107.6 . . ?
C325 C324 C323 122.1(5) . . ?
C325 C324 Ir3 72.0(2) . . ?
C323 C324 Ir3 112.9(3) . . ?
C325 C324 H324 114.3 . . ?
C323 C324 H324 114.3 . . ?
Ir3 C324 H324 114.3 . . ?
C324 C325 C326 125.7(5) . . ?
C324 C325 Ir3 73.1(2) . . ?
C326 C325 Ir3 110.3(3) . . ?
C324 C325 H325 113.5 . . ?
C326 C325 H325 113.5 . . ?
Ir3 C325 H325 113.5 . . ?
C325 C326 C327 114.3(4) . . ?
C325 C326 H32E 108.7 . . ?
C327 C326 H32E 108.7 . . ?
C325 C326 H32F 108.7 . . ?
C327 C326 H32F 108.7 . . ?
H32E C326 H32F 107.6 . . ?
C320 C327 C326 115.4(4) . . ?
C320 C327 H32G 108.4 . . ?
C326 C327 H32G 108.4 . . ?
C320 C327 H32H 108.4 . . ?
C326 C327 H32H 108.4 . . ?
H32G C327 H32H 107.5 . . ?
N328 C329 C330 178.4(5) . . ?
C329 C330 H33J 109.5 . . ?
C329 C330 H33K 109.5 . . ?
H33J C330 H33K 109.5 . . ?
C329 C330 H33L 109.5 . . ?
H33J C330 H33L 109.5 . . ?
H33K C330 H33L 109.5 . . ?
Si3 C331 H33A 109.5 . . ?
Si3 C331 H33B 109.5 . . ?
H33A C331 H33B 109.5 . . ?
Si3 C331 H33C 109.5 . . ?
H33A C331 H33C 109.5 . . ?
H33B C331 H33C 109.5 . . ?
Si3 C332 H33D 109.5 . . ?
Si3 C332 H33E 109.5 . . ?
H33D C332 H33E 109.5 . . ?
Si3 C332 H33F 109.5 . . ?
H33D C332 H33F 109.5 . . ?
H33E C332 H33F 109.5 . . ?
Si3 C333 H33G 109.5 . . ?
Si3 C333 H33H 109.5 . . ?
H33G C333 H33H 109.5 . . ?
Si3 C333 H33I 109.5 . . ?
H33G C333 H33I 109.5 . . ?
H33H C333 H33I 109.5 . . ?
C406 C401 C402 119.4(4) . . ?
C406 C401 P4 120.9(3) . . ?
C402 C401 P4 118.9(3) . . ?
C403 C402 C401 120.5(5) . . ?
C403 C402 H402 119.8 . . ?
C401 C402 H402 119.8 . . ?
C404 C403 C402 119.9(5) . . ?
C404 C403 H403 120.0 . . ?
C402 C403 H403 120.0 . . ?
C403 C404 C405 120.2(5) . . ?
C403 C404 H404 119.9 . . ?
C405 C404 H404 119.9 . . ?
C404 C405 C406 120.2(5) . . ?
C404 C405 H405 119.9 . . ?
C406 C405 H405 119.9 . . ?
C401 C406 C405 119.9(4) . . ?
C401 C406 H406 120.1 . . ?
C405 C406 H406 120.1 . . ?
C412 C407 C408 119.3(5) . . ?
C412 C407 P4 116.2(4) . . ?
C408 C407 P4 124.5(4) . . ?
C409 C408 C407 119.6(5) . . ?
C409 C408 H408 120.2 . . ?
C407 C408 H408 120.2 . . ?
C408 C409 C410 120.0(5) . . ?
C408 C409 H409 120.0 . . ?
C410 C409 H409 120.0 . . ?
C411 C410 C409 120.9(5) . . ?
C411 C410 H410 119.6 . . ?
C409 C410 H410 119.6 . . ?
C412 C411 C410 118.5(5) . . ?
C412 C411 H411 120.8 . . ?
C410 C411 H411 120.8 . . ?
C411 C412 C407 121.7(5) . . ?
C411 C412 H412 119.2 . . ?
C407 C412 H412 119.2 . . ?
C418 C413 C414 120.2(4) . . ?
C418 C413 N4 120.6(4) . . ?
C414 C413 N4 119.1(4) . . ?
C415 C414 C413 116.9(4) . . ?
C415 C414 Ir4 123.8(3) . . ?
C413 C414 Ir4 119.2(3) . . ?
C416 C415 C414 123.4(4) . . ?
C416 C415 H415 118.3 . . ?
C414 C415 H415 118.3 . . ?
C417 C416 C415 117.6(4) . . ?
C417 C416 C419 121.4(4) . . ?
C415 C416 C419 121.0(4) . . ?
C418 C417 C416 121.4(4) . . ?
C418 C417 H417 119.3 . . ?
C416 C417 H417 119.3 . . ?
C417 C418 C413 120.3(4) . . ?
C417 C418 H418 119.8 . . ?
C413 C418 H418 119.8 . . ?
C416 C419 H41A 109.5 . . ?
C416 C419 H41B 109.5 . . ?
H41A C419 H41B 109.5 . . ?
C416 C419 H41C 109.5 . . ?
H41A C419 H41C 109.5 . . ?
H41B C419 H41C 109.5 . . ?
C421 C420 C427 125.5(4) . . ?
C421 C420 Ir4 72.1(3) . . ?
C427 C420 Ir4 110.2(3) . . ?
C421 C420 H420 113.8 . . ?
C427 C420 H420 113.8 . . ?
Ir4 C420 H420 113.8 . . ?
C420 C421 C422 123.8(4) . . ?
C420 C421 Ir4 72.9(3) . . ?
C422 C421 Ir4 111.5(3) . . ?
C420 C421 H421 113.9 . . ?
C422 C421 H421 113.9 . . ?
Ir4 C421 H421 113.9 . . ?
C421 C422 C423 115.6(4) . . ?
C421 C422 H42A 108.4 . . ?
C423 C422 H42A 108.4 . . ?
C421 C422 H42B 108.4 . . ?
C423 C422 H42B 108.4 . . ?
H42A C422 H42B 107.4 . . ?
C424 C423 C422 114.3(4) . . ?
C424 C423 H42C 108.7 . . ?
C422 C423 H42C 108.7 . . ?
C424 C423 H42D 108.7 . . ?
C422 C423 H42D 108.7 . . ?
H42C C423 H42D 107.6 . . ?
C425 C424 C423 125.4(5) . . ?
C425 C424 Ir4 73.9(3) . . ?
C423 C424 Ir4 108.6(3) . . ?
C425 C424 H424 113.8 . . ?
C423 C424 H424 113.8 . . ?
Ir4 C424 H424 113.8 . . ?
C424 C425 C426 123.0(4) . . ?
C424 C425 Ir4 71.4(2) . . ?
C426 C425 Ir4 113.1(3) . . ?
C424 C425 H425 114.1 . . ?
C426 C425 H425 114.1 . . ?
Ir4 C425 H425 114.1 . . ?
C425 C426 C427 114.5(4) . . ?
C425 C426 H42E 108.6 . . ?
C427 C426 H42E 108.6 . . ?
C425 C426 H42F 108.6 . . ?
C427 C426 H42F 108.6 . . ?
H42E C426 H42F 107.6 . . ?
C420 C427 C426 113.8(4) . . ?
C420 C427 H42G 108.8 . . ?
C426 C427 H42G 108.8 . . ?
C420 C427 H42H 108.8 . . ?
C426 C427 H42H 108.8 . . ?
H42G C427 H42H 107.7 . . ?
N428 C429 C430 179.5(6) . . ?
C429 C430 H43J 109.5 . . ?
C429 C430 H43K 109.5 . . ?
H43J C430 H43K 109.5 . . ?
C429 C430 H43L 109.5 . . ?
H43J C430 H43L 109.5 . . ?
H43K C430 H43L 109.5 . . ?
Si4 C431 H43A 109.5 . . ?
Si4 C431 H43B 109.5 . . ?
H43A C431 H43B 109.5 . . ?
Si4 C431 H43C 109.5 . . ?
H43A C431 H43C 109.5 . . ?
H43B C431 H43C 109.5 . . ?
Si4 C432 H43D 109.5 . . ?
Si4 C432 H43E 109.5 . . ?
H43D C432 H43E 109.5 . . ?
Si4 C432 H43F 109.5 . . ?
H43D C432 H43F 109.5 . . ?
H43E C432 H43F 109.5 . . ?
Si4 C433 H43G 109.5 . . ?
Si4 C433 H43H 109.5 . . ?
H43G C433 H43H 109.5 . . ?
Si4 C433 H43I 109.5 . . ?
H43G C433 H43I 109.5 . . ?
H43H C433 H43I 109.5 . . ?
C113 N1 P1 113.2(3) . . ?
C113 N1 Si1 121.2(3) . . ?
P1 N1 Si1 125.5(2) . . ?
C213 N2 P2 112.0(3) . . ?
C213 N2 Si2 120.8(3) . . ?
P2 N2 Si2 126.9(2) . . ?
C313 N3 P3 112.7(3) . . ?
C313 N3 Si3 120.5(3) . . ?
P3 N3 Si3 126.5(2) . . ?
C413 N4 P4 113.6(3) . . ?
C413 N4 Si4 121.2(3) . . ?
P4 N4 Si4 125.1(2) . . ?
C129 N128 Ir1 175.2(4) . . ?
C229 N228 Ir2 173.9(4) . . ?
C329 N328 Ir3 174.1(4) . . ?
C429 N428 Ir4 176.3(4) . . ?
N1 Si1 C132 111.4(2) . . ?
N1 Si1 C131 108.2(2) . . ?
C132 Si1 C131 112.4(2) . . ?
N1 Si1 C133 110.0(2) . . ?
C132 Si1 C133 105.2(3) . . ?
C131 Si1 C133 109.6(2) . . ?
N2 Si2 C231 111.1(2) . . ?
N2 Si2 C233 107.4(2) . . ?
C231 Si2 C233 109.9(2) . . ?
N2 Si2 C232 110.6(2) . . ?
C231 Si2 C232 104.8(2) . . ?
C233 Si2 C232 113.2(2) . . ?
N3 Si3 C332 110.6(2) . . ?
N3 Si3 C331 108.1(2) . . ?
C332 Si3 C331 109.7(3) . . ?
N3 Si3 C333 110.2(2) . . ?
C332 Si3 C333 106.1(2) . . ?
C331 Si3 C333 112.1(2) . . ?
N4 Si4 C431 110.16(19) . . ?
N4 Si4 C433 107.9(2) . . ?
C431 Si4 C433 110.8(2) . . ?
N4 Si4 C432 111.1(2) . . ?
C431 Si4 C432 105.1(2) . . ?
C433 Si4 C432 111.8(2) . . ?
N1 P1 C107 108.4(2) . . ?
N1 P1 C101 106.3(2) . . ?
C107 P1 C101 107.8(2) . . ?
N1 P1 Ir1 106.74(15) . . ?
C107 P1 Ir1 111.84(15) . . ?
C101 P1 Ir1 115.40(16) . . ?
N2 P2 C207 107.8(2) . . ?
N2 P2 C201 106.1(2) . . ?
C207 P2 C201 106.0(2) . . ?
N2 P2 Ir2 106.04(14) . . ?
C207 P2 Ir2 113.62(16) . . ?
C201 P2 Ir2 116.84(15) . . ?
N3 P3 C307 108.0(2) . . ?
N3 P3 C301 106.7(2) . . ?
C307 P3 C301 105.9(2) . . ?
N3 P3 Ir3 106.07(14) . . ?
C307 P3 Ir3 113.33(15) . . ?
C301 P3 Ir3 116.42(15) . . ?
N4 P4 C401 108.83(19) . . ?
N4 P4 C407 106.6(2) . . ?
C401 P4 C407 108.0(2) . . ?
N4 P4 Ir4 106.61(14) . . ?
C401 P4 Ir4 111.31(16) . . ?
C407 P4 Ir4 115.18(15) . . ?
F55 P5 F56 89.1(2) . . ?
F55 P5 F54 92.4(2) . . ?
F56 P5 F54 89.77(17) . . ?
F55 P5 F52 90.7(2) . . ?
F56 P5 F52 89.77(17) . . ?
F54 P5 F52 176.8(2) . . ?
F55 P5 F51 89.9(2) . . ?
F56 P5 F51 179.0(2) . . ?
F54 P5 F51 90.58(18) . . ?
F52 P5 F51 89.94(18) . . ?
F55 P5 F53 178.3(2) . . ?
F56 P5 F53 90.8(2) . . ?
F54 P5 F53 89.2(2) . . ?
F52 P5 F53 87.6(2) . . ?
F51 P5 F53 90.2(2) . . ?
F63 P6 F66 92.8(3) . . ?
F63 P6 F61 89.1(4) . . ?
F66 P6 F61 178.1(3) . . ?
F63 P6 F65 176.5(3) . . ?
F66 P6 F65 90.4(3) . . ?
F61 P6 F65 87.8(3) . . ?
F63 P6 F62 90.2(2) . . ?
F66 P6 F62 91.1(2) . . ?
F61 P6 F62 89.3(3) . . ?
F65 P6 F62 91.27(18) . . ?
F63 P6 F64 89.90(19) . . ?
F66 P6 F64 89.4(2) . . ?
F61 P6 F64 90.3(2) . . ?
F65 P6 F64 88.60(18) . . ?
F62 P6 F64 179.5(3) . . ?
F72 P7 F71 90.2(2) . . ?
F72 P7 F76 90.9(2) . . ?
F71 P7 F76 178.8(2) . . ?
F72 P7 F74 179.6(2) . . ?
F71 P7 F74 89.6(2) . . ?
F76 P7 F74 89.3(2) . . ?
F72 P7 F75 90.02(19) . . ?
F71 P7 F75 90.15(17) . . ?
F76 P7 F75 90.38(18) . . ?
F74 P7 F75 90.33(19) . . ?
F72 P7 F73 90.19(18) . . ?
F71 P7 F73 89.87(16) . . ?
F76 P7 F73 89.59(17) . . ?
F74 P7 F73 89.47(17) . . ?
F75 P7 F73 179.79(19) . . ?
F84 P8 F83 91.8(3) . . ?
F84 P8 F82 178.0(3) . . ?
F83 P8 F82 90.1(3) . . ?
F84 P8 F86 90.66(19) . . ?
F83 P8 F86 90.03(19) . . ?
F82 P8 F86 88.82(18) . . ?
F84 P8 F85 88.7(3) . . ?
F83 P8 F85 179.3(2) . . ?
F82 P8 F85 89.4(3) . . ?
F86 P8 F85 89.37(19) . . ?
F84 P8 F81 89.58(19) . . ?
F83 P8 F81 89.72(19) . . ?
F82 P8 F81 90.94(19) . . ?
F86 P8 F81 179.66(19) . . ?
F85 P8 F81 90.9(2) . . ?
C114 Ir1 N128 88.30(16) . . ?
C114 Ir1 P1 81.14(14) . . ?
N128 Ir1 P1 90.75(11) . . ?
C114 Ir1 C124 155.32(17) . . ?
N128 Ir1 C124 116.10(15) . . ?
P1 Ir1 C124 94.20(13) . . ?
C114 Ir1 C121 95.02(17) . . ?
N128 Ir1 C121 113.87(17) . . ?
P1 Ir1 C121 155.05(13) . . ?
C124 Ir1 C121 78.99(17) . . ?
C114 Ir1 C120 96.71(18) . . ?
N128 Ir1 C120 78.76(16) . . ?
P1 Ir1 C120 169.37(13) . . ?
C124 Ir1 C120 91.97(17) . . ?
C121 Ir1 C120 35.19(17) . . ?
C114 Ir1 C125 169.49(17) . . ?
N128 Ir1 C125 82.23(15) . . ?
P1 Ir1 C125 103.44(13) . . ?
C124 Ir1 C125 34.85(16) . . ?
C121 Ir1 C125 84.73(16) . . ?
C120 Ir1 C125 77.04(17) . . ?
C114 Ir1 H1M 80(2) . . ?
N128 Ir1 H1M 168(2) . . ?
P1 Ir1 H1M 87(2) . . ?
C124 Ir1 H1M 76(2) . . ?
C121 Ir1 H1M 68(2) . . ?
C120 Ir1 H1M 103(2) . . ?
C125 Ir1 H1M 110(2) . . ?
C214 Ir2 N228 88.43(16) . . ?
C214 Ir2 P2 80.66(14) . . ?
N228 Ir2 P2 91.21(11) . . ?
C214 Ir2 C221 91.61(17) . . ?
N228 Ir2 C221 113.97(17) . . ?
P2 Ir2 C221 153.56(13) . . ?
C214 Ir2 C224 155.39(18) . . ?
N228 Ir2 C224 116.17(16) . . ?
P2 Ir2 C224 98.53(13) . . ?
C221 Ir2 C224 78.17(16) . . ?
C214 Ir2 C220 99.01(18) . . ?
N228 Ir2 C220 79.90(16) . . ?
P2 Ir2 C220 171.11(13) . . ?
C221 Ir2 C220 35.04(17) . . ?
C224 Ir2 C220 85.48(18) . . ?
C214 Ir2 C225 169.36(17) . . ?
N228 Ir2 C225 81.05(15) . . ?
P2 Ir2 C225 101.00(13) . . ?
C221 Ir2 C225 91.24(16) . . ?
C224 Ir2 C225 35.13(16) . . ?
C220 Ir2 C225 77.70(17) . . ?
C214 Ir2 H2M 81.0(18) . . ?
N228 Ir2 H2M 166.8(18) . . ?
P2 Ir2 H2M 79.3(19) . . ?
C221 Ir2 H2M 74.5(19) . . ?
C224 Ir2 H2M 74.7(18) . . ?
C220 Ir2 H2M 109.5(19) . . ?
C225 Ir2 H2M 109.6(18) . . ?
C314 Ir3 N328 89.71(16) . . ?
C314 Ir3 P3 80.55(14) . . ?
N328 Ir3 P3 90.78(11) . . ?
C314 Ir3 C321 91.26(17) . . ?
N328 Ir3 C321 114.14(16) . . ?
P3 Ir3 C321 153.84(13) . . ?
C314 Ir3 C325 169.94(17) . . ?
N328 Ir3 C325 80.35(15) . . ?
P3 Ir3 C325 100.99(13) . . ?
C321 Ir3 C325 91.40(16) . . ?
C314 Ir3 C324 155.01(17) . . ?
N328 Ir3 C324 115.27(15) . . ?
P3 Ir3 C324 99.09(14) . . ?
C321 Ir3 C324 78.08(17) . . ?
C325 Ir3 C324 34.92(16) . . ?
C314 Ir3 C320 99.21(18) . . ?
N328 Ir3 C320 80.25(16) . . ?
P3 Ir3 C320 171.03(12) . . ?
C321 Ir3 C320 34.81(16) . . ?
C325 Ir3 C320 77.70(17) . . ?
C324 Ir3 C320 84.94(17) . . ?
C314 Ir3 H3M 82.1(19) . . ?
N328 Ir3 H3M 170(2) . . ?
P3 Ir3 H3M 82(2) . . ?
C321 Ir3 H3M 72(2) . . ?
C325 Ir3 H3M 107.9(19) . . ?
C324 Ir3 H3M 73.1(19) . . ?
C320 Ir3 H3M 107(2) . . ?
C414 Ir4 N428 89.94(15) . . ?
C414 Ir4 P4 81.03(13) . . ?
N428 Ir4 P4 90.75(11) . . ?
C414 Ir4 C424 154.49(17) . . ?
N428 Ir4 C424 115.36(15) . . ?
P4 Ir4 C424 94.71(13) . . ?
C414 Ir4 C421 94.33(17) . . ?
N428 Ir4 C421 113.81(17) . . ?
P4 Ir4 C421 155.09(13) . . ?
C424 Ir4 C421 78.95(17) . . ?
C414 Ir4 C420 96.41(17) . . ?
N428 Ir4 C420 78.84(17) . . ?
P4 Ir4 C420 169.31(14) . . ?
C424 Ir4 C420 91.97(18) . . ?
C421 Ir4 C420 35.02(17) . . ?
C414 Ir4 C425 170.32(17) . . ?
N428 Ir4 C425 81.51(16) . . ?
P4 Ir4 C425 103.48(12) . . ?
C424 Ir4 C425 34.72(16) . . ?
C421 Ir4 C425 85.08(16) . . ?
C420 Ir4 C425 77.57(16) . . ?
C414 Ir4 H4M 81(2) . . ?
N428 Ir4 H4M 164(2) . . ?
P4 Ir4 H4M 76(2) . . ?
C424 Ir4 H4M 74(2) . . ?
C421 Ir4 H4M 79(2) . . ?
C420 Ir4 H4M 114(2) . . ?
C425 Ir4 H4M 109(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
C101 C106 1.389(7) . ?
C101 C102 1.402(7) . ?
C101 P1 1.818(5) . ?
C102 C103 1.384(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.395(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.378(8) . ?
C104 H104 0.9500 . ?
C105 C106 1.405(7) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C112 1.398(6) . ?
C107 C108 1.402(6) . ?
C107 P1 1.812(5) . ?
C108 C109 1.383(7) . ?
C108 H108 0.9500 . ?
C109 C110 1.390(7) . ?
C109 H109 0.9500 . ?
C110 C111 1.380(7) . ?
C110 H110 0.9500 . ?
C111 C112 1.385(7) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C118 1.397(6) . ?
C113 C114 1.410(6) . ?
C113 N1 1.455(6) . ?
C114 C115 1.383(6) . ?
C114 Ir1 2.075(4) . ?
C115 C116 1.405(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.390(7) . ?
C116 C119 1.505(7) . ?
C117 C118 1.379(7) . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C119 H11A 0.9800 . ?
C119 H11B 0.9800 . ?
C119 H11C 0.9800 . ?
C120 C121 1.390(7) . ?
C120 C127 1.508(6) . ?
C120 Ir1 2.306(5) . ?
C120 H120 1.0000 . ?
C121 C122 1.518(6) . ?
C121 Ir1 2.291(5) . ?
C121 H121 1.0000 . ?
C122 C123 1.539(7) . ?
C122 H12A 0.9900 . ?
C122 H12B 0.9900 . ?
C123 C124 1.527(6) . ?
C123 H12C 0.9900 . ?
C123 H12D 0.9900 . ?
C124 C125 1.380(6) . ?
C124 Ir1 2.282(4) . ?
C124 H124 1.0000 . ?
C125 C126 1.518(7) . ?
C125 Ir1 2.323(4) . ?
C125 H125 1.0000 . ?
C126 C127 1.545(7) . ?
C126 H12E 0.9900 . ?
C126 H12F 0.9900 . ?
C127 H12G 0.9900 . ?
C127 H12H 0.9900 . ?
C129 N128 1.141(6) . ?
C129 C130 1.463(7) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C133 Si1 1.872(5) . ?
C133 H13D 0.9800 . ?
C133 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C131 Si1 1.864(5) . ?
C131 H13J 0.9800 . ?
C131 H13K 0.9800 . ?
C131 H13L 0.9800 . ?
C132 Si1 1.856(5) . ?
C132 H13G 0.9800 . ?
C132 H13H 0.9800 . ?
C132 H13I 0.9800 . ?
C201 C202 1.396(6) . ?
C201 C206 1.401(6) . ?
C201 P2 1.830(5) . ?
C202 C203 1.406(7) . ?
C202 H202 0.9500 . ?
C203 C204 1.382(8) . ?
C203 H203 0.9500 . ?
C204 C205 1.378(7) . ?
C204 H204 0.9500 . ?
C205 C206 1.392(7) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C207 C208 1.396(6) . ?
C207 C212 1.407(6) . ?
C207 P2 1.821(4) . ?
C208 C209 1.394(6) . ?
C208 H208 0.9500 . ?
C209 C210 1.388(7) . ?
C209 H209 0.9500 . ?
C210 C211 1.385(7) . ?
C210 H210 0.9500 . ?
C211 C212 1.383(7) . ?
C211 H211 0.9500 . ?
C212 H212 0.9500 . ?
C213 C218 1.399(6) . ?
C213 C214 1.406(6) . ?
C213 N2 1.454(6) . ?
C214 C215 1.404(6) . ?
C214 Ir2 2.063(4) . ?
C215 C216 1.400(6) . ?
C215 H215 0.9500 . ?
C216 C217 1.390(7) . ?
C216 C219 1.507(6) . ?
C217 C218 1.382(7) . ?
C217 H217 0.9500 . ?
C218 H218 0.9500 . ?
C219 H21A 0.9800 . ?
C219 H21B 0.9800 . ?
C219 H21C 0.9800 . ?
C220 C221 1.381(7) . ?
C220 C227 1.528(6) . ?
C220 Ir2 2.299(5) . ?
C220 H220 1.0000 . ?
C221 C222 1.515(6) . ?
C221 Ir2 2.287(5) . ?
C221 H221 1.0000 . ?
C222 C223 1.519(6) . ?
C222 H22A 0.9900 . ?
C222 H22B 0.9900 . ?
C223 C224 1.532(7) . ?
C223 H22C 0.9900 . ?
C223 H22D 0.9900 . ?
C224 C225 1.390(7) . ?
C224 Ir2 2.297(4) . ?
C224 H224 1.0000 . ?
C225 C226 1.513(7) . ?
C225 Ir2 2.308(4) . ?
C225 H225 1.0000 . ?
C226 C227 1.514(7) . ?
C226 H22E 0.9900 . ?
C226 H22F 0.9900 . ?
C227 H22G 0.9900 . ?
C227 H22H 0.9900 . ?
C229 N228 1.137(6) . ?
C229 C230 1.464(7) . ?
C230 H23J 0.9800 . ?
C230 H23K 0.9800 . ?
C230 H23L 0.9800 . ?
C231 Si2 1.865(5) . ?
C231 H23A 0.9800 . ?
C231 H23B 0.9800 . ?
C231 H23C 0.9800 . ?
C232 Si2 1.891(5) . ?
C232 H23D 0.9800 . ?
C232 H23E 0.9800 . ?
C232 H23F 0.9800 . ?
C233 Si2 1.871(5) . ?
C233 H23G 0.9800 . ?
C233 H23H 0.9800 . ?
C233 H23I 0.9800 . ?
C301 C306 1.385(6) . ?
C301 C302 1.407(7) . ?
C301 P3 1.827(5) . ?
C302 C303 1.390(7) . ?
C302 H302 0.9500 . ?
C303 C304 1.391(8) . ?
C303 H303 0.9500 . ?
C304 C305 1.384(7) . ?
C304 H304 0.9500 . ?
C305 C306 1.394(6) . ?
C305 H305 0.9500 . ?
C306 H306 0.9500 . ?
C307 C308 1.400(6) . ?
C307 C312 1.407(6) . ?
C307 P3 1.820(5) . ?
C308 C309 1.393(6) . ?
C308 H308 0.9500 . ?
C309 C310 1.374(7) . ?
C309 H309 0.9500 . ?
C310 C311 1.394(7) . ?
C310 H310 0.9500 . ?
C311 C312 1.379(6) . ?
C311 H311 0.9500 . ?
C312 H312 0.9500 . ?
C313 C318 1.394(6) . ?
C313 C314 1.398(6) . ?
C313 N3 1.456(6) . ?
C314 C315 1.406(6) . ?
C314 Ir3 2.078(4) . ?
C315 C316 1.390(6) . ?
C315 H315 0.9500 . ?
C316 C317 1.389(7) . ?
C316 C319 1.510(6) . ?
C317 C318 1.388(7) . ?
C317 H317 0.9500 . ?
C318 H318 0.9500 . ?
C319 H31A 0.9800 . ?
C319 H31B 0.9800 . ?
C319 H31C 0.9800 . ?
C320 C321 1.375(6) . ?
C320 C327 1.517(6) . ?
C320 Ir3 2.312(5) . ?
C320 H320 1.0000 . ?
C321 C322 1.515(6) . ?
C321 Ir3 2.285(5) . ?
C321 H321 1.0000 . ?
C322 C323 1.545(6) . ?
C322 H32A 0.9900 . ?
C322 H32B 0.9900 . ?
C323 C324 1.526(7) . ?
C323 H32C 0.9900 . ?
C323 H32D 0.9900 . ?
C324 C325 1.380(6) . ?
C324 Ir3 2.306(4) . ?
C324 H324 1.0000 . ?
C325 C326 1.512(7) . ?
C325 Ir3 2.293(4) . ?
C325 H325 1.0000 . ?
C326 C327 1.535(7) . ?
C326 H32E 0.9900 . ?
C326 H32F 0.9900 . ?
C327 H32G 0.9900 . ?
C327 H32H 0.9900 . ?
C329 N328 1.143(6) . ?
C329 C330 1.455(6) . ?
C330 H33J 0.9800 . ?
C330 H33K 0.9800 . ?
C330 H33L 0.9800 . ?
C331 Si3 1.863(5) . ?
C331 H33A 0.9800 . ?
C331 H33B 0.9800 . ?
C331 H33C 0.9800 . ?
C332 Si3 1.858(5) . ?
C332 H33D 0.9800 . ?
C332 H33E 0.9800 . ?
C332 H33F 0.9800 . ?
C333 Si3 1.877(5) . ?
C333 H33G 0.9800 . ?
C333 H33H 0.9800 . ?
C333 H33I 0.9800 . ?
C401 C406 1.389(6) . ?
C401 C402 1.403(6) . ?
C401 P4 1.805(5) . ?
C402 C403 1.384(6) . ?
C402 H402 0.9500 . ?
C403 C404 1.382(7) . ?
C403 H403 0.9500 . ?
C404 C405 1.390(7) . ?
C404 H404 0.9500 . ?
C405 C406 1.394(7) . ?
C405 H405 0.9500 . ?
C406 H406 0.9500 . ?
C407 C412 1.393(7) . ?
C407 C408 1.396(6) . ?
C407 P4 1.833(5) . ?
C408 C409 1.390(7) . ?
C408 H408 0.9500 . ?
C409 C410 1.395(8) . ?
C409 H409 0.9500 . ?
C410 C411 1.390(8) . ?
C410 H410 0.9500 . ?
C411 C412 1.385(7) . ?
C411 H411 0.9500 . ?
C412 H412 0.9500 . ?
C413 C418 1.396(6) . ?
C413 C414 1.412(6) . ?
C413 N4 1.452(5) . ?
C414 C415 1.399(6) . ?
C414 Ir4 2.083(4) . ?
C415 C416 1.395(6) . ?
C415 H415 0.9500 . ?
C416 C417 1.382(6) . ?
C416 C419 1.513(6) . ?
C417 C418 1.382(6) . ?
C417 H417 0.9500 . ?
C418 H418 0.9500 . ?
C419 H41A 0.9800 . ?
C419 H41B 0.9800 . ?
C419 H41C 0.9800 . ?
C420 C421 1.381(7) . ?
C420 C427 1.526(6) . ?
C420 Ir4 2.301(5) . ?
C420 H420 1.0000 . ?
C421 C422 1.512(7) . ?
C421 Ir4 2.290(5) . ?
C421 H421 1.0000 . ?
C422 C423 1.541(7) . ?
C422 H42A 0.9900 . ?
C422 H42B 0.9900 . ?
C423 C424 1.512(6) . ?
C423 H42C 0.9900 . ?
C423 H42D 0.9900 . ?
C424 C425 1.371(7) . ?
C424 Ir4 2.280(4) . ?
C424 H424 1.0000 . ?
C425 C426 1.520(6) . ?
C425 Ir4 2.312(4) . ?
C425 H425 1.0000 . ?
C426 C427 1.538(7) . ?
C426 H42E 0.9900 . ?
C426 H42F 0.9900 . ?
C427 H42G 0.9900 . ?
C427 H42H 0.9900 . ?
C429 N428 1.136(6) . ?
C429 C430 1.455(7) . ?
C430 H43J 0.9800 . ?
C430 H43K 0.9800 . ?
C430 H43L 0.9800 . ?
C431 Si4 1.865(5) . ?
C431 H43A 0.9800 . ?
C431 H43B 0.9800 . ?
C431 H43C 0.9800 . ?
C432 Si4 1.869(5) . ?
C432 H43D 0.9800 . ?
C432 H43E 0.9800 . ?
C432 H43F 0.9800 . ?
C433 Si4 1.865(5) . ?
C433 H43G 0.9800 . ?
C433 H43H 0.9800 . ?
C433 H43I 0.9800 . ?
N1 P1 1.681(4) . ?
N1 Si1 1.796(4) . ?
N2 P2 1.683(4) . ?
N2 Si2 1.786(4) . ?
N3 P3 1.686(4) . ?
N3 Si3 1.790(4) . ?
N4 P4 1.680(3) . ?
N4 Si4 1.793(4) . ?
N128 Ir1 2.127(4) . ?
N228 Ir2 2.135(4) . ?
N328 Ir3 2.139(4) . ?
N428 Ir4 2.134(4) . ?
F73 P7 1.609(3) . ?
F76 P7 1.592(3) . ?
F83 P8 1.573(4) . ?
F72 P7 1.583(4) . ?
F71 P7 1.590(3) . ?
F64 P6 1.605(3) . ?
F65 P6 1.582(3) . ?
F75 P7 1.602(3) . ?
F63 P6 1.563(4) . ?
F74 P7 1.599(4) . ?
F56 P5 1.593(3) . ?
F52 P5 1.600(3) . ?
F53 P5 1.604(4) . ?
F51 P5 1.602(3) . ?
F54 P5 1.594(3) . ?
F55 P5 1.565(4) . ?
F66 P6 1.575(5) . ?
F86 P8 1.595(3) . ?
F84 P8 1.571(4) . ?
F85 P8 1.597(4) . ?
F81 P8 1.600(3) . ?
F82 P8 1.593(4) . ?
F62 P6 1.594(3) . ?
F61 P6 1.575(5) . ?
P1 Ir1 2.2640(14) . ?
P2 Ir2 2.2661(13) . ?
P3 Ir3 2.2637(14) . ?
P4 Ir4 2.2675(13) . ?
Ir1 H1M 1.596(10) . ?
Ir2 H2M 1.586(10) . ?
Ir3 H3M 1.585(10) . ?
Ir4 H4M 1.603(10) . ?
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
C106 C101 C102 C103 0.9(8) . . . . ?
P1 C101 C102 C103 -178.5(4) . . . . ?
C101 C102 C103 C104 -1.8(8) . . . . ?
C102 C103 C104 C105 1.9(8) . . . . ?
C103 C104 C105 C106 -1.1(8) . . . . ?
C102 C101 C106 C105 -0.2(7) . . . . ?
P1 C101 C106 C105 179.2(4) . . . . ?
C104 C105 C106 C101 0.3(8) . . . . ?
C112 C107 C108 C109 0.3(7) . . . . ?
P1 C107 C108 C109 169.4(4) . . . . ?
C107 C108 C109 C110 0.1(8) . . . . ?
C108 C109 C110 C111 -0.3(8) . . . . ?
C109 C110 C111 C112 0.1(8) . . . . ?
C110 C111 C112 C107 0.3(8) . . . . ?
C108 C107 C112 C111 -0.5(7) . . . . ?
P1 C107 C112 C111 -169.6(4) . . . . ?
C118 C113 C114 C115 2.5(6) . . . . ?
N1 C113 C114 C115 -177.0(4) . . . . ?
C118 C113 C114 Ir1 -177.5(3) . . . . ?
N1 C113 C114 Ir1 3.0(6) . . . . ?
C113 C114 C115 C116 1.0(7) . . . . ?
Ir1 C114 C115 C116 -179.0(4) . . . . ?
C114 C115 C116 C117 -3.3(7) . . . . ?
C114 C115 C116 C119 176.2(4) . . . . ?
C115 C116 C117 C118 2.1(7) . . . . ?
C119 C116 C117 C118 -177.4(4) . . . . ?
C116 C117 C118 C113 1.2(7) . . . . ?
C114 C113 C118 C117 -3.6(7) . . . . ?
N1 C113 C118 C117 175.9(4) . . . . ?
C127 C120 C121 C122 -3.0(8) . . . . ?
Ir1 C120 C121 C122 -105.3(5) . . . . ?
C127 C120 C121 Ir1 102.3(5) . . . . ?
C120 C121 C122 C123 90.4(6) . . . . ?
Ir1 C121 C122 C123 6.8(5) . . . . ?
C121 C122 C123 C124 -30.4(6) . . . . ?
C122 C123 C124 C125 -45.4(6) . . . . ?
C122 C123 C124 Ir1 37.6(5) . . . . ?
C123 C124 C125 C126 -4.6(7) . . . . ?
Ir1 C124 C125 C126 -106.1(4) . . . . ?
C123 C124 C125 Ir1 101.5(4) . . . . ?
C124 C125 C126 C127 93.8(5) . . . . ?
Ir1 C125 C126 C127 11.7(5) . . . . ?
C121 C120 C127 C126 -44.0(7) . . . . ?
Ir1 C120 C127 C126 37.8(5) . . . . ?
C125 C126 C127 C120 -33.3(6) . . . . ?
C206 C201 C202 C203 -2.2(7) . . . . ?
P2 C201 C202 C203 173.9(4) . . . . ?
C201 C202 C203 C204 1.2(9) . . . . ?
C202 C203 C204 C205 0.7(9) . . . . ?
C203 C204 C205 C206 -1.5(8) . . . . ?
C204 C205 C206 C201 0.5(8) . . . . ?
C202 C201 C206 C205 1.4(7) . . . . ?
P2 C201 C206 C205 -174.5(4) . . . . ?
C212 C207 C208 C209 -0.4(7) . . . . ?
P2 C207 C208 C209 -172.6(4) . . . . ?
C207 C208 C209 C210 -0.7(7) . . . . ?
C208 C209 C210 C211 1.5(8) . . . . ?
C209 C210 C211 C212 -1.2(8) . . . . ?
C210 C211 C212 C207 0.1(8) . . . . ?
C208 C207 C212 C211 0.7(7) . . . . ?
P2 C207 C212 C211 173.0(4) . . . . ?
C218 C213 C214 C215 -2.1(7) . . . . ?
N2 C213 C214 C215 176.2(4) . . . . ?
C218 C213 C214 Ir2 176.4(3) . . . . ?
N2 C213 C214 Ir2 -5.3(6) . . . . ?
C213 C214 C215 C216 0.8(7) . . . . ?
Ir2 C214 C215 C216 -177.6(3) . . . . ?
C214 C215 C216 C217 0.3(7) . . . . ?
C214 C215 C216 C219 -179.1(4) . . . . ?
C215 C216 C217 C218 -0.1(7) . . . . ?
C219 C216 C217 C218 179.3(4) . . . . ?
C216 C217 C218 C213 -1.2(7) . . . . ?
C214 C213 C218 C217 2.4(7) . . . . ?
N2 C213 C218 C217 -176.0(4) . . . . ?
C227 C220 C221 C222 -2.9(8) . . . . ?
Ir2 C220 C221 C222 102.9(5) . . . . ?
C227 C220 C221 Ir2 -105.8(5) . . . . ?
C220 C221 C222 C223 -48.3(7) . . . . ?
Ir2 C221 C222 C223 34.3(5) . . . . ?
C221 C222 C223 C224 -28.4(7) . . . . ?
C222 C223 C224 C225 90.9(6) . . . . ?
C222 C223 C224 Ir2 7.8(6) . . . . ?
C223 C224 C225 C226 -4.6(7) . . . . ?
Ir2 C224 C225 C226 101.9(4) . . . . ?
C223 C224 C225 Ir2 -106.4(4) . . . . ?
C224 C225 C226 C227 -47.6(6) . . . . ?
Ir2 C225 C226 C227 34.1(5) . . . . ?
C225 C226 C227 C220 -27.5(7) . . . . ?
C221 C220 C227 C226 89.1(6) . . . . ?
Ir2 C220 C227 C226 6.3(6) . . . . ?
C306 C301 C302 C303 1.2(7) . . . . ?
P3 C301 C302 C303 -175.3(4) . . . . ?
C301 C302 C303 C304 -0.6(8) . . . . ?
C302 C303 C304 C305 -0.8(8) . . . . ?
C303 C304 C305 C306 1.5(8) . . . . ?
C302 C301 C306 C305 -0.5(7) . . . . ?
P3 C301 C306 C305 175.8(4) . . . . ?
C304 C305 C306 C301 -0.9(7) . . . . ?
C312 C307 C308 C309 -0.7(7) . . . . ?
P3 C307 C308 C309 -171.7(4) . . . . ?
C307 C308 C309 C310 0.6(7) . . . . ?
C308 C309 C310 C311 -0.8(8) . . . . ?
C309 C310 C311 C312 1.0(8) . . . . ?
C310 C311 C312 C307 -1.1(8) . . . . ?
C308 C307 C312 C311 0.9(7) . . . . ?
P3 C307 C312 C311 172.0(4) . . . . ?
C318 C313 C314 C315 3.4(7) . . . . ?
N3 C313 C314 C315 -176.2(4) . . . . ?
C318 C313 C314 Ir3 -175.2(4) . . . . ?
N3 C313 C314 Ir3 5.2(6) . . . . ?
C313 C314 C315 C316 -2.6(7) . . . . ?
Ir3 C314 C315 C316 175.9(3) . . . . ?
C314 C315 C316 C317 0.8(7) . . . . ?
C314 C315 C316 C319 179.6(4) . . . . ?
C315 C316 C317 C318 0.1(7) . . . . ?
C319 C316 C317 C318 -178.7(4) . . . . ?
C316 C317 C318 C313 0.8(7) . . . . ?
C314 C313 C318 C317 -2.6(7) . . . . ?
N3 C313 C318 C317 177.0(4) . . . . ?
C327 C320 C321 C322 1.1(8) . . . . ?
Ir3 C320 C321 C322 -103.9(5) . . . . ?
C327 C320 C321 Ir3 105.1(5) . . . . ?
C320 C321 C322 C323 48.7(7) . . . . ?
Ir3 C321 C322 C323 -35.0(5) . . . . ?
C321 C322 C323 C324 29.2(6) . . . . ?
C322 C323 C324 C325 -90.9(5) . . . . ?
C322 C323 C324 Ir3 -8.4(6) . . . . ?
C323 C324 C325 C326 3.0(7) . . . . ?
Ir3 C324 C325 C326 -103.2(4) . . . . ?
C323 C324 C325 Ir3 106.2(4) . . . . ?
C324 C325 C326 C327 47.8(6) . . . . ?
Ir3 C325 C326 C327 -35.6(5) . . . . ?
C321 C320 C327 C326 -89.4(6) . . . . ?
Ir3 C320 C327 C326 -7.2(5) . . . . ?
C325 C326 C327 C320 28.9(6) . . . . ?
C406 C401 C402 C403 0.6(7) . . . . ?
P4 C401 C402 C403 -168.9(4) . . . . ?
C401 C402 C403 C404 -0.3(7) . . . . ?
C402 C403 C404 C405 -0.8(8) . . . . ?
C403 C404 C405 C406 1.5(8) . . . . ?
C402 C401 C406 C405 0.1(7) . . . . ?
P4 C401 C406 C405 169.4(4) . . . . ?
C404 C405 C406 C401 -1.2(8) . . . . ?
C412 C407 C408 C409 -1.5(7) . . . . ?
P4 C407 C408 C409 178.9(4) . . . . ?
C407 C408 C409 C410 1.8(8) . . . . ?
C408 C409 C410 C411 -1.0(8) . . . . ?
C409 C410 C411 C412 -0.2(8) . . . . ?
C410 C411 C412 C407 0.5(8) . . . . ?
C408 C407 C412 C411 0.4(8) . . . . ?
P4 C407 C412 C411 179.9(4) . . . . ?
C418 C413 C414 C415 -1.9(6) . . . . ?
N4 C413 C414 C415 178.4(4) . . . . ?
C418 C413 C414 Ir4 175.9(3) . . . . ?
N4 C413 C414 Ir4 -3.8(5) . . . . ?
C413 C414 C415 C416 -0.9(7) . . . . ?
Ir4 C414 C415 C416 -178.6(3) . . . . ?
C414 C415 C416 C417 2.5(7) . . . . ?
C414 C415 C416 C419 -176.6(4) . . . . ?
C415 C416 C417 C418 -1.2(7) . . . . ?
C419 C416 C417 C418 177.8(4) . . . . ?
C416 C417 C418 C413 -1.5(7) . . . . ?
C414 C413 C418 C417 3.1(7) . . . . ?
N4 C413 C418 C417 -177.2(4) . . . . ?
C427 C420 C421 C422 2.4(8) . . . . ?
Ir4 C420 C421 C422 104.8(5) . . . . ?
C427 C420 C421 Ir4 -102.4(5) . . . . ?
C420 C421 C422 C423 -89.7(6) . . . . ?
Ir4 C421 C422 C423 -6.4(5) . . . . ?
C421 C422 C423 C424 29.8(6) . . . . ?
C422 C423 C424 C425 46.0(6) . . . . ?
C422 C423 C424 Ir4 -37.1(5) . . . . ?
C423 C424 C425 C426 4.3(7) . . . . ?
Ir4 C424 C425 C426 106.0(4) . . . . ?
C423 C424 C425 Ir4 -101.6(4) . . . . ?
C424 C425 C426 C427 -93.5(5) . . . . ?
Ir4 C425 C426 C427 -11.4(5) . . . . ?
C421 C420 C427 C426 45.1(7) . . . . ?
Ir4 C420 C427 C426 -36.8(5) . . . . ?
C425 C426 C427 C420 32.4(6) . . . . ?
C118 C113 N1 P1 -177.7(3) . . . . ?
C114 C113 N1 P1 1.8(5) . . . . ?
C118 C113 N1 Si1 5.6(6) . . . . ?
C114 C113 N1 Si1 -174.9(3) . . . . ?
C218 C213 N2 P2 170.2(3) . . . . ?
C214 C213 N2 P2 -8.1(5) . . . . ?
C218 C213 N2 Si2 -4.2(6) . . . . ?
C214 C213 N2 Si2 177.4(3) . . . . ?
C318 C313 N3 P3 -172.7(4) . . . . ?
C314 C313 N3 P3 7.0(5) . . . . ?
C318 C313 N3 Si3 2.2(6) . . . . ?
C314 C313 N3 Si3 -178.1(3) . . . . ?
C418 C413 N4 P4 179.2(3) . . . . ?
C414 C413 N4 P4 -1.1(5) . . . . ?
C418 C413 N4 Si4 -3.3(6) . . . . ?
C414 C413 N4 Si4 176.4(3) . . . . ?
C113 N1 Si1 C132 -58.8(4) . . . . ?
P1 N1 Si1 C132 124.9(3) . . . . ?
C113 N1 Si1 C131 65.2(4) . . . . ?
P1 N1 Si1 C131 -111.0(3) . . . . ?
C113 N1 Si1 C133 -175.0(3) . . . . ?
P1 N1 Si1 C133 8.8(4) . . . . ?
C213 N2 Si2 C231 173.2(3) . . . . ?
P2 N2 Si2 C231 -0.3(4) . . . . ?
C213 N2 Si2 C233 -66.6(4) . . . . ?
P2 N2 Si2 C233 119.8(3) . . . . ?
C213 N2 Si2 C232 57.3(4) . . . . ?
P2 N2 Si2 C232 -116.3(3) . . . . ?
C313 N3 Si3 C332 -172.8(3) . . . . ?
P3 N3 Si3 C332 1.3(4) . . . . ?
C313 N3 Si3 C331 67.0(4) . . . . ?
P3 N3 Si3 C331 -118.9(3) . . . . ?
C313 N3 Si3 C333 -55.8(4) . . . . ?
P3 N3 Si3 C333 118.3(3) . . . . ?
C413 N4 Si4 C431 172.6(3) . . . . ?
P4 N4 Si4 C431 -10.3(3) . . . . ?
C413 N4 Si4 C433 -66.3(4) . . . . ?
P4 N4 Si4 C433 110.9(3) . . . . ?
C413 N4 Si4 C432 56.6(4) . . . . ?
P4 N4 Si4 C432 -126.2(3) . . . . ?
C113 N1 P1 C107 115.6(3) . . . . ?
Si1 N1 P1 C107 -67.9(3) . . . . ?
C113 N1 P1 C101 -128.7(3) . . . . ?
Si1 N1 P1 C101 47.8(3) . . . . ?
C113 N1 P1 Ir1 -5.0(3) . . . . ?
Si1 N1 P1 Ir1 171.5(2) . . . . ?
C112 C107 P1 N1 -15.9(4) . . . . ?
C108 C107 P1 N1 175.3(4) . . . . ?
C112 C107 P1 C101 -130.6(4) . . . . ?
C108 C107 P1 C101 60.6(4) . . . . ?
C112 C107 P1 Ir1 101.5(4) . . . . ?
C108 C107 P1 Ir1 -67.3(4) . . . . ?
C106 C101 P1 N1 -123.1(4) . . . . ?
C102 C101 P1 N1 56.3(4) . . . . ?
C106 C101 P1 C107 -7.1(5) . . . . ?
C102 C101 P1 C107 172.4(4) . . . . ?
C106 C101 P1 Ir1 118.8(4) . . . . ?
C102 C101 P1 Ir1 -61.8(4) . . . . ?
C213 N2 P2 C207 -106.4(3) . . . . ?
Si2 N2 P2 C207 67.6(3) . . . . ?
C213 N2 P2 C201 140.5(3) . . . . ?
Si2 N2 P2 C201 -45.5(3) . . . . ?
C213 N2 P2 Ir2 15.6(3) . . . . ?
Si2 N2 P2 Ir2 -170.3(2) . . . . ?
C208 C207 P2 N2 -176.4(4) . . . . ?
C212 C207 P2 N2 11.4(4) . . . . ?
C208 C207 P2 C201 -63.3(4) . . . . ?
C212 C207 P2 C201 124.6(4) . . . . ?
C208 C207 P2 Ir2 66.4(4) . . . . ?
C212 C207 P2 Ir2 -105.8(4) . . . . ?
C202 C201 P2 N2 -54.5(4) . . . . ?
C206 C201 P2 N2 121.4(4) . . . . ?
C202 C201 P2 C207 -168.9(4) . . . . ?
C206 C201 P2 C207 7.0(4) . . . . ?
C202 C201 P2 Ir2 63.4(4) . . . . ?
C206 C201 P2 Ir2 -120.7(4) . . . . ?
C313 N3 P3 C307 107.8(3) . . . . ?
Si3 N3 P3 C307 -66.7(3) . . . . ?
C313 N3 P3 C301 -138.7(3) . . . . ?
Si3 N3 P3 C301 46.8(3) . . . . ?
C313 N3 P3 Ir3 -14.0(3) . . . . ?
Si3 N3 P3 Ir3 171.5(2) . . . . ?
C308 C307 P3 N3 -11.4(4) . . . . ?
C312 C307 P3 N3 177.8(4) . . . . ?
C308 C307 P3 C301 -125.5(4) . . . . ?
C312 C307 P3 C301 63.7(4) . . . . ?
C308 C307 P3 Ir3 105.7(4) . . . . ?
C312 C307 P3 Ir3 -65.1(4) . . . . ?
C306 C301 P3 N3 -123.0(4) . . . . ?
C302 C301 P3 N3 53.3(4) . . . . ?
C306 C301 P3 C307 -8.1(5) . . . . ?
C302 C301 P3 C307 168.2(4) . . . . ?
C306 C301 P3 Ir3 118.9(4) . . . . ?
C302 C301 P3 Ir3 -64.9(4) . . . . ?
C413 N4 P4 C401 -115.4(3) . . . . ?
Si4 N4 P4 C401 67.2(3) . . . . ?
C413 N4 P4 C407 128.3(3) . . . . ?
Si4 N4 P4 C407 -49.1(3) . . . . ?
C413 N4 P4 Ir4 4.8(3) . . . . ?
Si4 N4 P4 Ir4 -172.6(2) . . . . ?
C406 C401 P4 N4 16.0(5) . . . . ?
C402 C401 P4 N4 -174.6(4) . . . . ?
C406 C401 P4 C407 131.4(4) . . . . ?
C402 C401 P4 C407 -59.3(4) . . . . ?
C406 C401 P4 Ir4 -101.2(4) . . . . ?
C402 C401 P4 Ir4 68.1(4) . . . . ?
C412 C407 P4 N4 -56.4(4) . . . . ?
C408 C407 P4 N4 123.1(4) . . . . ?
C412 C407 P4 C401 -173.3(4) . . . . ?
C408 C407 P4 C401 6.3(5) . . . . ?
C412 C407 P4 Ir4 61.6(4) . . . . ?
C408 C407 P4 Ir4 -118.8(4) . . . . ?
