#------------------------------------------------------------------------------
#$Date: 2020-07-03 04:18:35 +0300 (Fri, 03 Jul 2020) $
#$Revision: 253684 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/84/1558483.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_1558483
loop_
_publ_author_name
'Poitiers, Nadine Elisabeth'
'Giarrana, Luisa'
'Huch, Volker'
'Zimmer, Michael'
'Scheschkewitz, David'
_publ_section_title
;
 Exohedral functionalization vs. core expansion of siliconoids with Group
 9 metals: catalytic activity in alkene isomerization
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC02861D
_journal_year                    2020
_chemical_formula_moiety         'C98 H150 Cl Ir N2 Si6 Sn, 0.5 C6 H14)'
_chemical_formula_sum            'C101 H157 Cl Ir N2 Si6 Sn'
_chemical_formula_weight         1914.16
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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
;
2020-05-04 deposited with the CCDC.	2020-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                104.327(6)
_cell_angle_beta                 106.150(6)
_cell_angle_gamma                90.156(6)
_cell_formula_units_Z            4
_cell_length_a                   15.7798(19)
_cell_length_b                   26.095(3)
_cell_length_c                   27.363(4)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      2.36
_cell_volume                     10455(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_unetI/netI     0.1070
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            151379
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.832
_diffrn_reflns_theta_min         1.277
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5496
_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            red
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_description       block
_exptl_crystal_F_000             4020
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.432
_exptl_crystal_size_mid          0.317
_exptl_crystal_size_min          0.197
_refine_diff_density_max         5.451
_refine_diff_density_min         -5.133
_refine_diff_density_rms         0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.470
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2128
_refine_ls_number_reflns         47657
_refine_ls_number_restraints     4639
_refine_ls_restrained_S_all      2.377
_refine_ls_R_factor_all          0.1945
_refine_ls_R_factor_gt           0.1685
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3641
_refine_ls_wR_factor_ref         0.3704
_reflns_Friedel_coverage         0.000
_reflns_number_gt                35016
_reflns_number_total             47657
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc02861d2.cif
_cod_data_source_block           sh4029
_cod_database_code               1558483
_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   0.536
_shelx_estimated_absorpt_t_max   0.737
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
Ir1 Ir 0.88726(5) 0.66126(2) 0.83019(2) 0.02751(16) Uani 1 1 d . U . . .
Sn1 Sn 0.84131(7) 0.73879(4) 0.78797(4) 0.0254(2) Uani 1 1 d . U . . .
Si1 Si 0.9829(3) 0.65917(14) 0.70107(16) 0.0239(8) Uani 1 1 d . U . . .
Si2 Si 0.9090(3) 0.60008(14) 0.61982(15) 0.0221(8) Uani 1 1 d . U . . .
Si3 Si 0.9950(3) 0.67480(15) 0.78874(16) 0.0251(9) Uani 1 1 d . U . . .
Si4 Si 0.9523(3) 0.74435(14) 0.73447(15) 0.0228(8) Uani 1 1 d . U . . .
Si5 Si 1.1021(3) 0.78023(14) 0.76853(16) 0.0259(9) Uani 1 1 d . U . . .
Si6 Si 1.1214(3) 0.68937(15) 0.76489(16) 0.0245(9) Uani 1 1 d . U . . .
Cl1 Cl 0.9713(3) 0.62551(15) 0.57098(15) 0.0343(9) Uani 1 1 d . U . . .
N1 N 0.8118(8) 0.8125(5) 0.8378(5) 0.027(2) Uani 1 1 d . U . . .
N2 N 0.7146(8) 0.7720(5) 0.7631(5) 0.029(2) Uani 1 1 d . U . . .
C1 C 0.7313(10) 0.8126(5) 0.8062(6) 0.026(2) Uani 1 1 d . U . . .
C2 C 0.6693(11) 0.8546(6) 0.8176(6) 0.031(2) Uani 1 1 d . U . . .
C3 C 0.6164(11) 0.8519(6) 0.8503(6) 0.034(3) Uani 1 1 d . U . . .
H3 H 0.616118 0.821881 0.864098 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5645(12) 0.8929(6) 0.8625(7) 0.040(3) Uani 1 1 d . U . . .
H4 H 0.529674 0.891706 0.885489 0.048 Uiso 1 1 calc R U . . .
C5 C 0.5636(13) 0.9339(7) 0.8419(7) 0.046(3) Uani 1 1 d . U . . .
H5 H 0.527440 0.961725 0.850711 0.055 Uiso 1 1 calc R U . . .
C6 C 0.6096(13) 0.9377(7) 0.8105(7) 0.047(3) Uani 1 1 d . U . . .
H6 H 0.605349 0.967338 0.795909 0.056 Uiso 1 1 calc R U . . .
C7 C 0.6671(12) 0.8973(6) 0.7976(7) 0.039(3) Uani 1 1 d . U . . .
H7 H 0.702792 0.900419 0.775473 0.047 Uiso 1 1 calc R U . . .
C8 C 0.8592(11) 0.8475(6) 0.8915(6) 0.036(3) Uani 1 1 d . U . . .
C9 C 0.9510(11) 0.8272(6) 0.9049(6) 0.038(4) Uani 1 1 d . U . . .
H9A H 0.977645 0.827108 0.876496 0.057 Uiso 1 1 calc R U . . .
H9B H 0.946188 0.791066 0.908739 0.057 Uiso 1 1 calc R U . . .
H9C H 0.988110 0.850399 0.937921 0.057 Uiso 1 1 calc R U . . .
C10 C 0.8115(13) 0.8386(7) 0.9331(6) 0.047(4) Uani 1 1 d . U . . .
H10A H 0.752862 0.852480 0.925718 0.070 Uiso 1 1 calc R U . . .
H10B H 0.847031 0.857351 0.968720 0.070 Uiso 1 1 calc R U . . .
H10C H 0.805076 0.800647 0.930648 0.070 Uiso 1 1 calc R U . . .
C11 C 0.8650(13) 0.9047(6) 0.8911(7) 0.047(4) Uani 1 1 d . U . . .
H11A H 0.891070 0.908432 0.863423 0.071 Uiso 1 1 calc R U . . .
H11B H 0.902241 0.925678 0.925353 0.071 Uiso 1 1 calc R U . . .
H11C H 0.805618 0.917525 0.884240 0.071 Uiso 1 1 calc R U . . .
C12 C 0.6319(11) 0.7578(7) 0.7175(6) 0.040(3) Uani 1 1 d . U . . .
C13 C 0.6454(13) 0.7018(7) 0.6895(7) 0.050(4) Uani 1 1 d . U . . .
H13A H 0.593627 0.687869 0.659147 0.076 Uiso 1 1 calc R U . . .
H13B H 0.653161 0.679082 0.713804 0.076 Uiso 1 1 calc R U . . .
H13C H 0.698233 0.702297 0.677324 0.076 Uiso 1 1 calc R U . . .
C14 C 0.6278(15) 0.7955(8) 0.6839(7) 0.057(4) Uani 1 1 d . U . . .
H14A H 0.679185 0.792459 0.670166 0.086 Uiso 1 1 calc R U . . .
H14B H 0.628042 0.831811 0.704976 0.086 Uiso 1 1 calc R U . . .
H14C H 0.573402 0.786803 0.654468 0.086 Uiso 1 1 calc R U . . .
C15 C 0.5487(12) 0.7582(8) 0.7339(8) 0.054(4) Uani 1 1 d . U . . .
H15A H 0.497391 0.749079 0.702543 0.081 Uiso 1 1 calc R U . . .
H15B H 0.544165 0.793652 0.755452 0.081 Uiso 1 1 calc R U . . .
H15C H 0.550101 0.732219 0.754511 0.081 Uiso 1 1 calc R U . . .
C16 C 0.9364(13) 0.5981(7) 0.8682(7) 0.046(3) Uani 1 1 d . U . . .
H16 H 0.974713 0.574436 0.850361 0.056 Uiso 1 1 calc R U . . .
C17 C 0.8644(13) 0.5689(7) 0.8770(8) 0.051(3) Uani 1 1 d . U . . .
H17A H 0.868802 0.530515 0.863059 0.061 Uiso 1 1 calc R U . . .
H17B H 0.874487 0.575587 0.915479 0.061 Uiso 1 1 calc R U . . .
C18 C 0.7748(14) 0.5811(7) 0.8541(8) 0.051(3) Uani 1 1 d . U . . .
H18A H 0.739116 0.578494 0.878083 0.061 Uiso 1 1 calc R U . . .
H18B H 0.748746 0.553971 0.820453 0.061 Uiso 1 1 calc R U . . .
C19 C 0.7678(13) 0.6361(7) 0.8434(7) 0.044(3) Uani 1 1 d . U . . .
H19 H 0.712072 0.640199 0.816772 0.052 Uiso 1 1 calc R U . . .
C20 C 0.8058(12) 0.6834(7) 0.8826(6) 0.039(3) Uani 1 1 d . U . . .
H20 H 0.772474 0.715348 0.878364 0.047 Uiso 1 1 calc R U . . .
C21 C 0.8536(13) 0.6849(7) 0.9383(7) 0.046(3) Uani 1 1 d . U . . .
H21A H 0.825714 0.656788 0.948581 0.056 Uiso 1 1 calc R U . . .
H21B H 0.846421 0.719430 0.961187 0.056 Uiso 1 1 calc R U . . .
C22 C 0.9527(13) 0.6771(7) 0.9482(7) 0.045(3) Uani 1 1 d . U . . .
H22A H 0.970898 0.657745 0.975886 0.054 Uiso 1 1 calc R U . . .
H22B H 0.985742 0.712457 0.962104 0.054 Uiso 1 1 calc R U . . .
C23 C 0.9801(13) 0.6469(7) 0.8998(6) 0.042(3) Uani 1 1 d . U . . .
H23 H 1.044206 0.651757 0.902198 0.051 Uiso 1 1 calc R U . . .
C24 C 1.2274(12) 0.6556(6) 0.7687(7) 0.038(2) Uani 1 1 d . U . . .
C25 C 1.2694(13) 0.6346(7) 0.8126(7) 0.048(3) Uani 1 1 d . U . . .
C26 C 1.3424(15) 0.6048(8) 0.8113(9) 0.061(3) Uani 1 1 d . U . . .
H26 H 1.364085 0.587948 0.838902 0.073 Uiso 1 1 calc R U . . .
C27 C 1.3856(16) 0.5979(9) 0.7728(9) 0.067(3) Uani 1 1 d D U . . .
C28 C 1.3421(14) 0.6198(8) 0.7309(8) 0.058(3) Uani 1 1 d . U . . .
H28 H 1.365793 0.614479 0.701817 0.070 Uiso 1 1 calc R U . . .
C29 C 1.2693(13) 0.6477(7) 0.7287(7) 0.045(3) Uani 1 1 d . U . . .
C30 C 1.2291(13) 0.6350(7) 0.8568(7) 0.046(3) Uani 1 1 d . U . . .
H30 H 1.196053 0.667687 0.860861 0.056 Uiso 1 1 calc R U . . .
C31 C 1.1606(14) 0.5880(7) 0.8455(8) 0.052(4) Uani 1 1 d . U . . .
H31A H 1.108830 0.590348 0.816594 0.078 Uiso 1 1 calc R U . . .
H31B H 1.142220 0.589218 0.877131 0.078 Uiso 1 1 calc R U . . .
H31C H 1.187154 0.554501 0.835535 0.078 Uiso 1 1 calc R U . . .
C32 C 1.2997(13) 0.6407(7) 0.9105(7) 0.053(4) Uani 1 1 d . U . . .
H32A H 1.326316 0.606882 0.911061 0.080 Uiso 1 1 calc R U . . .
H32B H 1.271559 0.650416 0.938912 0.080 Uiso 1 1 calc R U . . .
H32C H 1.345681 0.668342 0.915473 0.080 Uiso 1 1 calc R U . . .
C33A C 1.476(2) 0.5661(15) 0.7828(17) 0.073(4) Uani 0.59(2) 1 d D U P A 1
H33A H 1.511192 0.591311 0.816393 0.087 Uiso 0.59(2) 1 calc R U P A 1
C34A C 1.486(3) 0.5168(14) 0.8010(17) 0.076(5) Uani 0.59(2) 1 d D U P A 1
H34A H 1.447630 0.516437 0.823786 0.113 Uiso 0.59(2) 1 calc R U P A 1
H34B H 1.468248 0.485933 0.770435 0.113 Uiso 0.59(2) 1 calc R U P A 1
H34C H 1.547441 0.515422 0.820718 0.113 Uiso 0.59(2) 1 calc R U P A 1
C35A C 1.525(3) 0.5784(16) 0.7477(16) 0.073(5) Uani 0.59(2) 1 d D U P A 1
H35A H 1.509235 0.612614 0.740518 0.109 Uiso 0.59(2) 1 calc R U P A 1
H35B H 1.588823 0.580049 0.764774 0.109 Uiso 0.59(2) 1 calc R U P A 1
H35C H 1.509630 0.550560 0.714491 0.109 Uiso 0.59(2) 1 calc R U P A 1
C33B C 1.449(3) 0.5516(16) 0.754(2) 0.073(4) Uani 0.41(2) 1 d D U P A 2
H33B H 1.447102 0.542941 0.716172 0.087 Uiso 0.41(2) 1 calc R U P A 2
C34B C 1.430(4) 0.513(2) 0.771(2) 0.075(5) Uani 0.41(2) 1 d . U P A 2
H34D H 1.377484 0.492519 0.745607 0.090 Uiso 0.41(2) 1 calc R U P A 2
H34E H 1.480111 0.491009 0.774931 0.090 Uiso 0.41(2) 1 calc R U P A 2
H34F H 1.418895 0.527177 0.804947 0.090 Uiso 0.41(2) 1 calc R U P A 2
C35B C 1.529(4) 0.584(2) 0.792(2) 0.074(5) Uani 0.41(2) 1 d D U P A 2
H35D H 1.542569 0.613214 0.778786 0.112 Uiso 0.41(2) 1 calc R U P A 2
H35E H 1.517368 0.597418 0.826189 0.112 Uiso 0.41(2) 1 calc R U P A 2
H35F H 1.578584 0.561250 0.796173 0.112 Uiso 0.41(2) 1 calc R U P A 2
C36 C 1.2309(13) 0.6685(7) 0.6800(7) 0.043(3) Uani 1 1 d . U . . .
H36 H 1.179795 0.689426 0.685491 0.052 Uiso 1 1 calc R U . . .
C37 C 1.1951(13) 0.6204(7) 0.6323(7) 0.050(4) Uani 1 1 d . U . . .
H37A H 1.147591 0.600448 0.637947 0.074 Uiso 1 1 calc R U . . .
H37B H 1.242992 0.597455 0.628093 0.074 Uiso 1 1 calc R U . . .
H37C H 1.171900 0.632786 0.600403 0.074 Uiso 1 1 calc R U . . .
C38 C 1.2969(13) 0.7047(7) 0.6697(7) 0.050(4) Uani 1 1 d . U . . .
H38A H 1.348888 0.685464 0.665662 0.075 Uiso 1 1 calc R U . . .
H38B H 1.315282 0.736198 0.699489 0.075 Uiso 1 1 calc R U . . .
H38C H 1.268943 0.715437 0.637463 0.075 Uiso 1 1 calc R U . . .
C39 C 0.7871(10) 0.6118(5) 0.6048(6) 0.027(2) Uani 1 1 d . U . . .
C40 C 0.7426(11) 0.6447(6) 0.5752(6) 0.030(2) Uani 1 1 d . U . . .
C41 C 0.6516(11) 0.6410(6) 0.5555(6) 0.035(3) Uani 1 1 d . U . . .
H41 H 0.624320 0.664580 0.535468 0.042 Uiso 1 1 calc R U . . .
C42 C 0.5996(11) 0.6037(6) 0.5642(6) 0.036(2) Uani 1 1 d . U . . .
C43 C 0.6433(11) 0.5738(6) 0.5991(6) 0.033(3) Uani 1 1 d . U . . .
H43 H 0.608744 0.550363 0.608814 0.040 Uiso 1 1 calc R U . . .
C44 C 0.7332(11) 0.5774(6) 0.6193(6) 0.030(2) Uani 1 1 d . U . . .
C45 C 0.7945(12) 0.6900(6) 0.5661(6) 0.037(3) Uani 1 1 d . U . . .
H45 H 0.858692 0.688408 0.583795 0.044 Uiso 1 1 calc R U . . .
C46 C 0.7836(13) 0.6849(7) 0.5094(7) 0.046(4) Uani 1 1 d . U . . .
H46A H 0.721112 0.686556 0.491188 0.069 Uiso 1 1 calc R U . . .
H46B H 0.803704 0.650818 0.493821 0.069 Uiso 1 1 calc R U . . .
H46C H 0.818910 0.713877 0.505652 0.069 Uiso 1 1 calc R U . . .
C47 C 0.7663(13) 0.7436(6) 0.5919(8) 0.049(4) Uani 1 1 d . U . . .
H47A H 0.797882 0.772109 0.584906 0.073 Uiso 1 1 calc R U . . .
H47B H 0.780612 0.748025 0.629993 0.073 Uiso 1 1 calc R U . . .
H47C H 0.702433 0.744931 0.577275 0.073 Uiso 1 1 calc R U . . .
C48 C 0.4971(12) 0.5974(7) 0.5400(6) 0.047(3) Uani 1 1 d D U . . .
H48A H 0.484803 0.563429 0.548423 0.057 Uiso 0.44(5) 1 calc R U P B 1
H48B H 0.470284 0.571925 0.554516 0.057 Uiso 0.56(5) 1 calc R U P B 2
C49 C 0.4768(15) 0.5771(9) 0.4813(7) 0.069(5) Uani 1 1 d D U . . .
H49A H 0.418815 0.557122 0.467087 0.104 Uiso 1 1 calc R U . . .
H49B H 0.522275 0.553877 0.472878 0.104 Uiso 1 1 calc R U . . .
H49C H 0.476145 0.607125 0.465655 0.104 Uiso 1 1 calc R U . . .
C50A C 0.445(3) 0.633(2) 0.5713(19) 0.054(6) Uani 0.44(5) 1 d D U P B 1
H50A H 0.437167 0.665929 0.560419 0.081 Uiso 0.44(5) 1 calc R U P B 1
H50B H 0.476868 0.640673 0.608925 0.081 Uiso 0.44(5) 1 calc R U P B 1
H50C H 0.386847 0.614781 0.565027 0.081 Uiso 0.44(5) 1 calc R U P B 1
C50B C 0.455(3) 0.6495(11) 0.5490(18) 0.055(6) Uani 0.56(5) 1 d D U P B 2
H50D H 0.473205 0.671486 0.528656 0.082 Uiso 0.56(5) 1 calc R U P B 2
H50E H 0.475223 0.667924 0.586517 0.082 Uiso 0.56(5) 1 calc R U P B 2
H50F H 0.390912 0.642941 0.537561 0.082 Uiso 0.56(5) 1 calc R U P B 2
C51 C 0.7714(11) 0.5444(6) 0.6576(6) 0.031(3) Uani 1 1 d . U . . .
H51 H 0.837399 0.549727 0.667671 0.037 Uiso 1 1 calc R U . . .
C52 C 0.7443(13) 0.4836(6) 0.6343(7) 0.042(4) Uani 1 1 d . U . . .
H52A H 0.681817 0.476619 0.631342 0.063 Uiso 1 1 calc R U . . .
H52B H 0.780774 0.463908 0.657593 0.063 Uiso 1 1 calc R U . . .
H52C H 0.753487 0.472132 0.599329 0.063 Uiso 1 1 calc R U . . .
C53 C 0.7424(12) 0.5625(6) 0.7074(6) 0.038(4) Uani 1 1 d . U . . .
H53A H 0.756380 0.600863 0.721991 0.057 Uiso 1 1 calc R U . . .
H53B H 0.773634 0.543975 0.733445 0.057 Uiso 1 1 calc R U . . .
H53C H 0.678458 0.554412 0.698964 0.057 Uiso 1 1 calc R U . . .
C54 C 0.9229(10) 0.5255(6) 0.5987(6) 0.029(2) Uani 1 1 d . U . . .
C55 C 0.8731(11) 0.4983(6) 0.5462(6) 0.036(3) Uani 1 1 d . U . . .
C56 C 0.8746(12) 0.4434(6) 0.5305(7) 0.040(3) Uani 1 1 d . U . . .
H56 H 0.846632 0.425163 0.494902 0.048 Uiso 1 1 calc R U . . .
C57 C 0.9166(12) 0.4144(7) 0.5664(7) 0.044(3) Uani 1 1 d . U . . .
C58 C 0.9644(11) 0.4412(6) 0.6148(7) 0.038(3) Uani 1 1 d . U . . .
H58 H 0.999817 0.422199 0.637373 0.046 Uiso 1 1 calc R U . . .
C59 C 0.9642(11) 0.4954(6) 0.6329(6) 0.035(3) Uani 1 1 d . U . . .
C60 C 0.8219(11) 0.5252(6) 0.5034(6) 0.035(3) Uani 1 1 d . U . . .
H60 H 0.822952 0.563960 0.520003 0.042 Uiso 1 1 calc R U . . .
C61 C 0.8709(12) 0.5180(7) 0.4607(6) 0.040(4) Uani 1 1 d . U . . .
H61A H 0.864262 0.480647 0.441089 0.060 Uiso 1 1 calc R U . . .
H61B H 0.933832 0.529149 0.477574 0.060 Uiso 1 1 calc R U . . .
H61C H 0.845674 0.539793 0.436529 0.060 Uiso 1 1 calc R U . . .
C62 C 0.7291(12) 0.5038(7) 0.4807(7) 0.046(4) Uani 1 1 d . U . . .
H62A H 0.702442 0.515973 0.449132 0.069 Uiso 1 1 calc R U . . .
H62B H 0.696565 0.516132 0.506622 0.069 Uiso 1 1 calc R U . . .
H62C H 0.726451 0.464913 0.471288 0.069 Uiso 1 1 calc R U . . .
C63 C 0.9140(13) 0.3524(7) 0.5515(8) 0.050(3) Uani 1 1 d . U . . .
H63 H 0.902124 0.342592 0.582240 0.061 Uiso 1 1 calc R U . . .
C64 C 0.8344(14) 0.3276(7) 0.5060(7) 0.054(5) Uani 1 1 d . U . . .
H64A H 0.840585 0.335255 0.473801 0.081 Uiso 1 1 calc R U . . .
H64B H 0.780775 0.342366 0.513281 0.081 Uiso 1 1 calc R U . . .
H64C H 0.829960 0.289136 0.501321 0.081 Uiso 1 1 calc R U . . .
C65 C 0.9955(13) 0.3320(6) 0.5499(7) 0.046(4) Uani 1 1 d . U . . .
H65A H 0.986824 0.293395 0.535455 0.056 Uiso 1 1 calc R U . . .
H65B H 1.036293 0.340371 0.585597 0.056 Uiso 1 1 calc R U . . .
H65C H 1.020325 0.347872 0.527492 0.056 Uiso 1 1 calc R U . . .
C66 C 1.0240(11) 0.5191(6) 0.6894(6) 0.036(3) Uani 1 1 d . U . . .
H66 H 1.019068 0.558283 0.697355 0.043 Uiso 1 1 calc R U . . .
C67 C 0.9890(12) 0.4991(7) 0.7285(7) 0.041(4) Uani 1 1 d . U . . .
H67A H 0.933856 0.515341 0.730979 0.061 Uiso 1 1 calc R U . . .
H67B H 1.032952 0.508795 0.763213 0.061 Uiso 1 1 calc R U . . .
H67C H 0.977633 0.460470 0.716512 0.061 Uiso 1 1 calc R U . . .
C68 C 1.1188(12) 0.5106(7) 0.6956(7) 0.044(4) Uani 1 1 d . U . . .
H68A H 1.137773 0.523287 0.669176 0.067 Uiso 1 1 calc R U . . .
H68B H 1.127252 0.472653 0.690747 0.067 Uiso 1 1 calc R U . . .
H68C H 1.154033 0.530167 0.730922 0.067 Uiso 1 1 calc R U . . .
C69 C 1.1690(12) 0.8096(6) 0.7306(6) 0.035(2) Uani 1 1 d . U . . .
C70 C 1.2556(13) 0.8299(7) 0.7581(7) 0.044(3) Uani 1 1 d . U . . .
C71 C 1.3044(14) 0.8554(7) 0.7350(8) 0.053(3) Uani 1 1 d . U . . .
H71 H 1.364068 0.867532 0.754072 0.063 Uiso 1 1 calc R U . . .
C72 C 1.2719(15) 0.8639(8) 0.6865(8) 0.058(3) Uani 1 1 d . U . . .
C73 C 1.1849(14) 0.8422(7) 0.6584(8) 0.049(3) Uani 1 1 d . U . . .
H73 H 1.160391 0.846126 0.623719 0.059 Uiso 1 1 calc R U . . .
C74 C 1.1339(12) 0.8155(6) 0.6794(7) 0.040(3) Uani 1 1 d . U . . .
C75 C 1.3012(12) 0.8255(7) 0.8128(7) 0.045(3) Uani 1 1 d . U . . .
H75 H 1.258394 0.807192 0.824975 0.054 Uiso 1 1 calc R U . . .
C76 C 1.3291(14) 0.8807(7) 0.8508(8) 0.057(5) Uani 1 1 d . U . . .
H76A H 1.367744 0.900402 0.838021 0.085 Uiso 1 1 calc R U . . .
H76B H 1.361095 0.877140 0.885846 0.085 Uiso 1 1 calc R U . . .
H76C H 1.276438 0.899996 0.852695 0.085 Uiso 1 1 calc R U . . .
C77 C 1.3831(12) 0.7941(7) 0.8161(8) 0.051(4) Uani 1 1 d . U . . .
H77A H 1.364991 0.756541 0.798901 0.077 Uiso 1 1 calc R U . . .
H77B H 1.415783 0.798214 0.853118 0.077 Uiso 1 1 calc R U . . .
H77C H 1.421043 0.807482 0.798333 0.077 Uiso 1 1 calc R U . . .
C78 C 1.3250(15) 0.8948(8) 0.6657(9) 0.074(4) Uani 1 1 d D U . . .
H78 H 1.366222 0.919022 0.697814 0.089 Uiso 1 1 calc R U . . .
C79 C 1.2772(18) 0.9308(10) 0.6356(10) 0.094(6) Uani 1 1 d D U . . .
H79A H 1.317138 0.946382 0.620583 0.113 Uiso 1 1 calc R U . . .
H79B H 1.255670 0.959022 0.659134 0.113 Uiso 1 1 calc R U . . .
H79C H 1.226847 0.910794 0.607223 0.113 Uiso 1 1 calc R U . . .
C80 C 1.3835(18) 0.8594(10) 0.6419(11) 0.095(6) Uani 1 1 d D U . . .
H80A H 1.392777 0.871023 0.612219 0.114 Uiso 1 1 calc R U . . .
H80B H 1.355983 0.822998 0.629264 0.114 Uiso 1 1 calc R U . . .
H80C H 1.440506 0.860532 0.668274 0.114 Uiso 1 1 calc R U . . .
C81 C 1.0425(13) 0.7948(7) 0.6430(7) 0.043(3) Uani 1 1 d . U . . .
H81 H 1.012909 0.774898 0.661327 0.051 Uiso 1 1 calc R U . . .
C82 C 0.9829(13) 0.8398(7) 0.6289(7) 0.049(4) Uani 1 1 d . U . . .
H82A H 1.011256 0.860609 0.611713 0.073 Uiso 1 1 calc R U . . .
H82B H 0.974809 0.862939 0.661204 0.073 Uiso 1 1 calc R U . . .
H82C H 0.925138 0.824003 0.605042 0.073 Uiso 1 1 calc R U . . .
C83 C 1.0468(14) 0.7568(7) 0.5920(7) 0.050(4) Uani 1 1 d . U . . .
H83A H 0.987278 0.740853 0.571448 0.075 Uiso 1 1 calc R U . . .
H83B H 1.085415 0.728769 0.600069 0.075 Uiso 1 1 calc R U . . .
H83C H 1.070582 0.776096 0.571636 0.075 Uiso 1 1 calc R U . . .
C84 C 1.1123(11) 0.8339(6) 0.8334(6) 0.030(2) Uani 1 1 d . U . . .
C85 C 1.0797(11) 0.8829(6) 0.8280(6) 0.035(3) Uani 1 1 d . U . . .
C86 C 1.0876(12) 0.9246(6) 0.8722(7) 0.041(3) Uani 1 1 d . U . . .
H86 H 1.063056 0.956893 0.867714 0.050 Uiso 1 1 calc R U . . .
C87 C 1.1308(12) 0.9206(6) 0.9232(7) 0.039(3) Uani 1 1 d . U . . .
C88 C 1.1648(12) 0.8737(6) 0.9281(6) 0.037(3) Uani 1 1 d . U . . .
H88 H 1.195196 0.870439 0.962287 0.044 Uiso 1 1 calc R U . . .
C89 C 1.1566(11) 0.8298(6) 0.8845(6) 0.032(2) Uani 1 1 d . U . . .
C90 C 1.0327(12) 0.8933(6) 0.7748(7) 0.039(3) Uani 1 1 d . U . . .
H90 H 1.031047 0.859636 0.747331 0.047 Uiso 1 1 calc R U . . .
C91 C 0.9384(13) 0.9056(7) 0.7702(7) 0.046(4) Uani 1 1 d . U . . .
H91A H 0.909688 0.909167 0.734630 0.070 Uiso 1 1 calc R U . . .
H91B H 0.937004 0.938922 0.796031 0.070 Uiso 1 1 calc R U . . .
H91C H 0.907049 0.876831 0.776900 0.070 Uiso 1 1 calc R U . . .
C92 C 1.0849(14) 0.9358(7) 0.7627(7) 0.051(4) Uani 1 1 d . U . . .
H92A H 1.144534 0.924902 0.763546 0.077 Uiso 1 1 calc R U . . .
H92B H 1.088994 0.969543 0.789203 0.077 Uiso 1 1 calc R U . . .
H92C H 1.054582 0.940305 0.727726 0.077 Uiso 1 1 calc R U . . .
C93 C 1.1389(14) 0.9668(7) 0.9713(7) 0.049(3) Uani 1 1 d . U . . .
H93 H 1.097947 0.993611 0.959936 0.059 Uiso 1 1 calc R U . . .
C94 C 1.1167(15) 0.9529(7) 1.0162(7) 0.058(4) Uani 1 1 d . U . . .
H94A H 1.054179 0.939998 1.005358 0.087 Uiso 1 1 calc R U . . .
H94B H 1.127650 0.984421 1.045965 0.087 Uiso 1 1 calc R U . . .
H94C H 1.153661 0.925125 1.026671 0.087 Uiso 1 1 calc R U . . .
C95 C 1.2287(16) 0.9911(9) 0.9884(10) 0.082(6) Uani 1 1 d . U . . .
H95A H 1.270544 0.964393 0.995922 0.123 Uiso 1 1 calc R U . . .
H95B H 1.236550 1.019942 1.020399 0.123 Uiso 1 1 calc R U . . .
H95C H 1.239708 1.005292 0.960609 0.123 Uiso 1 1 calc R U . . .
C96 C 1.1990(12) 0.7797(6) 0.8974(7) 0.038(3) Uani 1 1 d . U . . .
H96 H 1.195528 0.753011 0.863553 0.046 Uiso 1 1 calc R U . . .
C97 C 1.1388(12) 0.7569(6) 0.9265(6) 0.035(3) Uani 1 1 d . U . . .
H97A H 1.080393 0.744114 0.901654 0.052 Uiso 1 1 calc R U . . .
H97B H 1.132172 0.785076 0.956127 0.052 Uiso 1 1 calc R U . . .
H97C H 1.166798 0.727568 0.939601 0.052 Uiso 1 1 calc R U . . .
C98 C 1.2941(12) 0.7902(6) 0.9299(7) 0.044(4) Uani 1 1 d . U . . .
H98A H 1.330642 0.796660 0.907986 0.066 Uiso 1 1 calc R U . . .
H98B H 1.313444 0.759324 0.943217 0.066 Uiso 1 1 calc R U . . .
H98C H 1.300349 0.821399 0.959537 0.066 Uiso 1 1 calc R U . . .
Ir2 Ir 0.06513(5) 0.83717(2) 0.16923(2) 0.02930(17) Uani 1 1 d . U . . .
Sn2 Sn 0.06171(7) 0.75975(4) 0.21184(4) 0.0274(2) Uani 1 1 d . U . . .
Si7 Si 0.2882(3) 0.84056(14) 0.29742(15) 0.0229(8) Uani 1 1 d . U . . .
Si8 Si 0.2935(3) 0.90008(14) 0.37859(15) 0.0224(8) Uani 1 1 d . U . . .
Si9 Si 0.2116(3) 0.82393(15) 0.20880(16) 0.0257(9) Uani 1 1 d . U . . .
Si10 Si 0.2250(3) 0.75499(14) 0.26411(16) 0.0244(9) Uani 1 1 d . U . . .
Si11 Si 0.3415(3) 0.71993(14) 0.22976(16) 0.0254(9) Uani 1 1 d . U . . .
Si12 Si 0.3629(3) 0.81071(14) 0.23275(16) 0.0232(8) Uani 1 1 d . U . . .
Cl2 Cl 0.4033(3) 0.87549(14) 0.42756(15) 0.0320(8) Uani 1 1 d . U . . .
N3 N -0.0402(9) 0.7273(5) 0.2367(5) 0.034(2) Uani 1 1 d . U . . .
N4 N -0.0153(9) 0.6860(5) 0.1626(5) 0.031(2) Uani 1 1 d . U . . .
C99 C -0.0667(11) 0.6875(6) 0.1950(6) 0.029(2) Uani 1 1 d . U . . .
C100 C -0.1384(11) 0.6447(6) 0.1833(6) 0.031(2) Uani 1 1 d . U . . .
C101 C -0.1202(13) 0.6014(6) 0.2058(7) 0.041(3) Uani 1 1 d . U . . .
H101 H -0.063224 0.599243 0.228391 0.049 Uiso 1 1 calc R U . . .
C102 C -0.1874(13) 0.5620(7) 0.1943(7) 0.048(3) Uani 1 1 d . U . . .
H102 H -0.176954 0.533142 0.210100 0.057 Uiso 1 1 calc R U . . .
C103 C -0.2680(13) 0.5644(7) 0.1607(7) 0.043(3) Uani 1 1 d . U . . .
H103 H -0.311193 0.535665 0.152037 0.052 Uiso 1 1 calc R U . . .
C104 C -0.2911(12) 0.6072(6) 0.1379(7) 0.041(3) Uani 1 1 d . U . . .
H104 H -0.348667 0.609604 0.116010 0.049 Uiso 1 1 calc R U . . .
C105 C -0.2215(11) 0.6458(6) 0.1504(6) 0.036(3) Uani 1 1 d . U . . .
H105 H -0.232446 0.674987 0.135114 0.044 Uiso 1 1 calc R U . . .
C106 C -0.0797(12) 0.7428(7) 0.2811(7) 0.042(3) Uani 1 1 d . U . . .
C107 C -0.0511(14) 0.7072(7) 0.3191(7) 0.052(4) Uani 1 1 d . U . . .
H10D H -0.091350 0.674978 0.306573 0.078 Uiso 1 1 calc R U . . .
H10E H -0.052973 0.726363 0.354343 0.078 Uiso 1 1 calc R U . . .
H10F H 0.009338 0.697435 0.320459 0.078 Uiso 1 1 calc R U . . .
C108 C -0.1801(12) 0.7443(8) 0.2645(8) 0.053(4) Uani 1 1 d . U . . .
H10G H -0.196798 0.768938 0.242182 0.080 Uiso 1 1 calc R U . . .
H10H H -0.200586 0.756153 0.295833 0.080 Uiso 1 1 calc R U . . .
H10I H -0.207452 0.708709 0.244677 0.080 Uiso 1 1 calc R U . . .
C109 C -0.0369(12) 0.7991(6) 0.3101(6) 0.040(4) Uani 1 1 d . U . . .
H10J H -0.050743 0.822020 0.285877 0.060 Uiso 1 1 calc R U . . .
H10K H 0.027380 0.797907 0.322772 0.060 Uiso 1 1 calc R U . . .
H10L H -0.060099 0.813226 0.340044 0.060 Uiso 1 1 calc R U . . .
C110 C -0.0220(12) 0.6510(7) 0.1109(6) 0.040(3) Uani 1 1 d . U . . .
C111 C -0.1070(13) 0.6557(8) 0.0692(7) 0.051(4) Uani 1 1 d . U . . .
H11D H -0.108373 0.631169 0.035418 0.076 Uiso 1 1 calc R U . . .
H11E H -0.108889 0.692085 0.065517 0.076 Uiso 1 1 calc R U . . .
H11F H -0.158258 0.646743 0.079967 0.076 Uiso 1 1 calc R U . . .
C112 C -0.0148(14) 0.5931(7) 0.1113(7) 0.050(4) Uani 1 1 d . U . . .
H11G H -0.024249 0.571317 0.075200 0.075 Uiso 1 1 calc R U . . .
H11H H -0.059749 0.582104 0.125944 0.075 Uiso 1 1 calc R U . . .
H11I H 0.044155 0.588564 0.132948 0.075 Uiso 1 1 calc R U . . .
C113 C 0.0525(13) 0.6709(7) 0.0955(7) 0.046(4) Uani 1 1 d . U . . .
H11J H 0.050485 0.650566 0.059841 0.069 Uiso 1 1 calc R U . . .
H11K H 0.108725 0.666815 0.120229 0.069 Uiso 1 1 calc R U . . .
H11L H 0.047236 0.708485 0.096192 0.069 Uiso 1 1 calc R U . . .
C114 C 0.0780(13) 0.9010(7) 0.1331(6) 0.042(3) Uani 1 1 d . U . . .
H114 H 0.135661 0.923023 0.149558 0.050 Uiso 1 1 calc R U . . .
C115 C -0.0003(14) 0.9328(8) 0.1277(8) 0.055(3) Uani 1 1 d . U . . .
H11M H -0.021469 0.934549 0.090563 0.066 Uiso 1 1 calc R U . . .
H11N H 0.019687 0.969469 0.149454 0.066 Uiso 1 1 calc R U . . .
C116 C -0.0800(14) 0.9144(8) 0.1427(8) 0.056(3) Uani 1 1 d . U . . .
H11O H -0.086927 0.940940 0.173943 0.068 Uiso 1 1 calc R U . . .
H11P H -0.134403 0.912333 0.113339 0.068 Uiso 1 1 calc R U . . .
C117 C -0.0702(14) 0.8625(8) 0.1545(8) 0.053(3) Uani 1 1 d . U . . .
H117 H -0.098778 0.858636 0.181925 0.064 Uiso 1 1 calc R U . . .
C118 C -0.0690(14) 0.8145(8) 0.1185(7) 0.053(3) Uani 1 1 d . U . . .
H118 H -0.098005 0.783572 0.124700 0.064 Uiso 1 1 calc R U . . .
C119 C -0.0763(15) 0.8098(8) 0.0624(8) 0.058(3) Uani 1 1 d . U . . .
H11Q H -0.123987 0.831495 0.048494 0.069 Uiso 1 1 calc R U . . .
H11R H -0.093856 0.772384 0.042334 0.069 Uiso 1 1 calc R U . . .
C120 C 0.0069(14) 0.8269(8) 0.0528(7) 0.055(3) Uani 1 1 d . U . . .
H12A H -0.008124 0.852383 0.030832 0.066 Uiso 1 1 calc R U . . .
H12B H 0.027306 0.795423 0.031827 0.066 Uiso 1 1 calc R U . . .
C121 C 0.0846(13) 0.8524(7) 0.1008(6) 0.042(3) Uani 1 1 d . U . . .
H121 H 0.144572 0.845924 0.096080 0.051 Uiso 1 1 calc R U . . .
C122 C 0.4643(11) 0.8457(6) 0.2275(6) 0.032(2) Uani 1 1 d . U . . .
C123 C 0.5438(12) 0.8532(7) 0.2692(7) 0.040(3) Uani 1 1 d . U . . .
C124 C 0.6177(14) 0.8804(8) 0.2654(8) 0.054(3) Uani 1 1 d . U . . .
H124 H 0.671196 0.884645 0.293112 0.065 Uiso 1 1 calc R U . . .
C125 C 0.6169(16) 0.9008(9) 0.2246(9) 0.065(3) Uani 1 1 d . U . . .
C126 C 0.5388(14) 0.8930(8) 0.1829(8) 0.056(3) Uani 1 1 d . U . . .
H126 H 0.537934 0.905257 0.152840 0.067 Uiso 1 1 calc R U . . .
C127 C 0.4622(13) 0.8675(7) 0.1848(7) 0.044(3) Uani 1 1 d . U . . .
C128 C 0.5533(11) 0.8341(6) 0.3170(6) 0.037(3) Uani 1 1 d . U . . .
H128 H 0.496445 0.813931 0.312395 0.044 Uiso 1 1 calc R U . . .
C129 C 0.5660(11) 0.8808(7) 0.3637(7) 0.043(4) Uani 1 1 d . U . . .
H12C H 0.620318 0.902213 0.368464 0.065 Uiso 1 1 calc R U . . .
H12D H 0.570765 0.868422 0.395251 0.065 Uiso 1 1 calc R U . . .
H12E H 0.515352 0.902494 0.357815 0.065 Uiso 1 1 calc R U . . .
C130 C 0.6285(12) 0.7973(7) 0.3289(7) 0.041(4) Uani 1 1 d . U . . .
H13D H 0.620228 0.766410 0.298641 0.062 Uiso 1 1 calc R U . . .
H13E H 0.627493 0.785362 0.360033 0.062 Uiso 1 1 calc R U . . .
H13F H 0.685632 0.816625 0.335603 0.062 Uiso 1 1 calc R U . . .
C131 C 0.6971(18) 0.9315(10) 0.2203(11) 0.082(4) Uani 1 1 d . U . . .
H131 H 0.697777 0.909961 0.184689 0.099 Uiso 1 1 calc R U . . .
C132 C 0.7805(19) 0.9192(11) 0.2491(12) 0.101(7) Uani 1 1 d . U . . .
H13G H 0.807524 0.949675 0.278800 0.121 Uiso 1 1 calc R U . . .
H13H H 0.818992 0.910911 0.226078 0.121 Uiso 1 1 calc R U . . .
H13I H 0.772538 0.888453 0.262418 0.121 Uiso 1 1 calc R U . . .
C133 C 0.6803(18) 0.9830(10) 0.2066(11) 0.094(7) Uani 1 1 d . U . . .
H13J H 0.715835 0.987834 0.183691 0.140 Uiso 1 1 calc R U . . .
H13K H 0.696471 1.011973 0.238924 0.140 Uiso 1 1 calc R U . . .
H13L H 0.617362 0.983118 0.188295 0.140 Uiso 1 1 calc R U . . .
C134 C 0.3777(12) 0.8630(7) 0.1393(7) 0.043(3) Uani 1 1 d . U . . .
H134 H 0.341027 0.830309 0.136039 0.052 Uiso 1 1 calc R U . . .
C135 C 0.3973(15) 0.8586(8) 0.0872(7) 0.059(5) Uani 1 1 d . U . . .
H13R H 0.341515 0.853666 0.058927 0.088 Uiso 1 1 calc R U . . .
H13M H 0.432266 0.828153 0.079936 0.088 Uiso 1 1 calc R U . . .
H13N H 0.430645 0.891093 0.089096 0.088 Uiso 1 1 calc R U . . .
C136 C 0.3255(13) 0.9096(7) 0.1505(7) 0.049(4) Uani 1 1 d . U . . .
H13O H 0.355757 0.941129 0.147647 0.074 Uiso 1 1 calc R U . . .
H13P H 0.319847 0.915528 0.186221 0.074 Uiso 1 1 calc R U . . .
H13Q H 0.266515 0.902950 0.125043 0.074 Uiso 1 1 calc R U . . .
C137 C 0.1873(10) 0.8890(5) 0.3940(5) 0.024(2) Uani 1 1 d . U . . .
C138 C 0.1727(10) 0.8544(6) 0.4238(6) 0.027(2) Uani 1 1 d . U . . .
C139 C 0.1016(11) 0.8584(6) 0.4451(6) 0.031(2) Uani 1 1 d . U . . .
H139 H 0.095852 0.835980 0.466734 0.037 Uiso 1 1 calc R U . . .
C140 C 0.0379(12) 0.8953(6) 0.4349(6) 0.036(2) Uani 1 1 d . U . . .
C141 C 0.0432(11) 0.9268(6) 0.4018(6) 0.032(2) Uani 1 1 d . U . . .
H141 H -0.001329 0.950111 0.392913 0.039 Uiso 1 1 calc R U . . .
C142 C 0.1171(11) 0.9235(6) 0.3814(6) 0.029(2) Uani 1 1 d . U . . .
C143 C 0.2291(11) 0.8106(6) 0.4335(6) 0.033(3) Uani 1 1 d . U . . .
H143 H 0.275886 0.811671 0.415393 0.039 Uiso 1 1 calc R U . . .
C144 C 0.2773(12) 0.8161(7) 0.4916(7) 0.045(4) Uani 1 1 d . U . . .
H14D H 0.314344 0.786290 0.494823 0.067 Uiso 1 1 calc R U . . .
H14E H 0.233840 0.815936 0.511126 0.067 Uiso 1 1 calc R U . . .
H14F H 0.314667 0.849478 0.506145 0.067 Uiso 1 1 calc R U . . .
C145 C 0.1743(13) 0.7557(6) 0.4066(7) 0.046(4) Uani 1 1 d . U . . .
H14G H 0.127281 0.752984 0.423113 0.069 Uiso 1 1 calc R U . . .
H14H H 0.213397 0.727014 0.410970 0.069 Uiso 1 1 calc R U . . .
H14I H 0.147948 0.752754 0.369023 0.069 Uiso 1 1 calc R U . . .
C146 C -0.0363(13) 0.9015(7) 0.4593(7) 0.047(3) Uani 1 1 d . U . . .
H146 H -0.074684 0.928049 0.445230 0.056 Uiso 1 1 calc R U . . .
C147 C -0.0021(15) 0.9229(9) 0.5188(8) 0.065(5) Uani 1 1 d . U . . .
H14J H 0.059381 0.914338 0.531009 0.097 Uiso 1 1 calc R U . . .
H14K H -0.038622 0.906791 0.535488 0.097 Uiso 1 1 calc R U . . .
H14L H -0.004869 0.961534 0.528173 0.097 Uiso 1 1 calc R U . . .
C148 C -0.0925(18) 0.8511(10) 0.4461(11) 0.092(6) Uani 1 1 d . U . . .
H14M H -0.153543 0.856180 0.427794 0.138 Uiso 1 1 calc R U . . .
H14N H -0.091226 0.841186 0.478563 0.138 Uiso 1 1 calc R U . . .
H14O H -0.069755 0.822918 0.423259 0.138 Uiso 1 1 calc R U . . .
C149 C 0.1167(11) 0.9561(6) 0.3410(6) 0.031(3) Uani 1 1 d . U . . .
H149 H 0.173231 0.950558 0.331239 0.037 Uiso 1 1 calc R U . . .
C150 C 0.0418(12) 0.9348(6) 0.2910(6) 0.040(4) Uani 1 1 d . U . . .
H15D H 0.054167 0.946275 0.261962 0.060 Uiso 1 1 calc R U . . .
H15E H -0.013700 0.948533 0.296228 0.060 Uiso 1 1 calc R U . . .
H15F H 0.036348 0.896006 0.282401 0.060 Uiso 1 1 calc R U . . .
C151 C 0.1163(11) 1.0155(6) 0.3650(6) 0.033(3) Uani 1 1 d . U . . .
H15G H 0.131053 1.035342 0.341941 0.050 Uiso 1 1 calc R U . . .
H15H H 0.160069 1.025812 0.399690 0.050 Uiso 1 1 calc R U . . .
H15I H 0.057363 1.023568 0.368625 0.050 Uiso 1 1 calc R U . . .
C152 C 0.3233(10) 0.9749(5) 0.3991(6) 0.025(2) Uani 1 1 d . U . . .
C153 C 0.3299(10) 1.0019(6) 0.4522(6) 0.029(2) Uani 1 1 d . U . . .
C154 C 0.3453(11) 1.0569(6) 0.4672(6) 0.033(3) Uani 1 1 d . U . . .
H154 H 0.349432 1.075213 0.502496 0.039 Uiso 1 1 calc R U . . .
C155 C 0.3549(11) 1.0864(6) 0.4327(6) 0.035(2) Uani 1 1 d . U . . .
C156 C 0.3528(11) 1.0601(6) 0.3831(6) 0.033(3) Uani 1 1 d . U . . .
H156 H 0.363023 1.079562 0.359955 0.040 Uiso 1 1 calc R U . . .
C157 C 0.3361(10) 1.0049(5) 0.3649(6) 0.028(2) Uani 1 1 d . U . . .
C158 C 0.3235(8) 0.9769(6) 0.4948(5) 0.032(3) Uani 1 1 d D U . . .
H158 H 0.310118 0.938107 0.477301 0.039 Uiso 1 1 calc R U . . .
C159 C 0.2501(10) 0.9929(6) 0.5175(6) 0.034(3) Uani 1 1 d D U . . .
H15J H 0.201949 1.003339 0.491350 0.051 Uiso 1 1 calc R U . . .
H15K H 0.271244 1.022976 0.548635 0.051 Uiso 1 1 calc R U . . .
H15L H 0.228527 0.963089 0.527786 0.051 Uiso 1 1 calc R U . . .
C160 C 0.4082(10) 0.9811(7) 0.5365(6) 0.038(3) Uani 1 1 d D U . . .
H16A H 0.450102 0.958913 0.522087 0.057 Uiso 1 1 calc R U . . .
H16B H 0.397912 0.969002 0.565659 0.057 Uiso 1 1 calc R U . . .
H16C H 0.432702 1.018095 0.549271 0.057 Uiso 1 1 calc R U . . .
C161 C 0.3648(12) 1.1465(6) 0.4484(7) 0.037(3) Uani 1 1 d . U . . .
H161 H 0.323016 1.156925 0.418245 0.044 Uiso 1 1 calc R U . . .
C162 C 0.3342(13) 1.1727(7) 0.4955(7) 0.045(4) Uani 1 1 d . U . . .
H16D H 0.272866 1.159852 0.489709 0.068 Uiso 1 1 calc R U . . .
H16E H 0.337649 1.211265 0.500474 0.068 Uiso 1 1 calc R U . . .
H16F H 0.372126 1.164150 0.527024 0.068 Uiso 1 1 calc R U . . .
C163 C 0.4508(12) 1.1680(6) 0.4508(7) 0.042(4) Uani 1 1 d . U . . .
H16G H 0.463345 1.153393 0.417104 0.063 Uiso 1 1 calc R U . . .
H16H H 0.496166 1.158594 0.479098 0.063 Uiso 1 1 calc R U . . .
H16I H 0.451288 1.206737 0.457691 0.063 Uiso 1 1 calc R U . . .
C164 C 0.3376(11) 0.9802(6) 0.3088(6) 0.031(3) Uani 1 1 d . U . . .
H164 H 0.325304 0.941048 0.301521 0.037 Uiso 1 1 calc R U . . .
C165 C 0.2633(11) 1.0002(6) 0.2697(6) 0.035(3) Uani 1 1 d . U . . .
H16J H 0.269932 0.987881 0.234165 0.052 Uiso 1 1 calc R U . . .
H16K H 0.266839 1.039023 0.279974 0.052 Uiso 1 1 calc R U . . .
H16L H 0.205690 0.986254 0.269955 0.052 Uiso 1 1 calc R U . . .
C166 C 0.4301(11) 0.9900(6) 0.3022(6) 0.036(3) Uani 1 1 d . U . . .
H16M H 0.435524 0.965047 0.270162 0.054 Uiso 1 1 calc R U . . .
H16N H 0.475823 0.984790 0.332784 0.054 Uiso 1 1 calc R U . . .
H16O H 0.437532 1.026433 0.299527 0.054 Uiso 1 1 calc R U . . .
C167 C 0.4443(11) 0.6913(6) 0.2677(6) 0.032(2) Uani 1 1 d . U . . .
C168 C 0.5072(12) 0.6715(7) 0.2397(7) 0.041(3) Uani 1 1 d . U . . .
C169 C 0.5768(13) 0.6473(7) 0.2636(8) 0.052(3) Uani 1 1 d . U . . .
H169 H 0.617446 0.634773 0.244205 0.062 Uiso 1 1 calc R U . . .
C170 C 0.5941(15) 0.6393(8) 0.3124(8) 0.058(3) Uani 1 1 d . U . . .
C171 C 0.5363(13) 0.6591(7) 0.3400(7) 0.045(3) Uani 1 1 d . U . . .
H171 H 0.547643 0.655517 0.374937 0.055 Uiso 1 1 calc R U . . .
C172 C 0.4616(11) 0.6842(6) 0.3199(6) 0.036(2) Uani 1 1 d . U . . .
C173 C 0.4963(12) 0.6762(6) 0.1855(7) 0.040(3) Uani 1 1 d . U . . .
H173 H 0.442200 0.695243 0.174626 0.048 Uiso 1 1 calc R U . . .
C174 C 0.5770(12) 0.7081(7) 0.1833(7) 0.045(4) Uani 1 1 d . U . . .
H17C H 0.569929 0.709476 0.146929 0.067 Uiso 1 1 calc R U . . .
H17D H 0.630955 0.690977 0.195907 0.067 Uiso 1 1 calc R U . . .
H17E H 0.581222 0.744281 0.205721 0.067 Uiso 1 1 calc R U . . .
C175 C 0.4847(13) 0.6211(7) 0.1470(7) 0.046(4) Uani 1 1 d . U . . .
H17G H 0.429899 0.602341 0.145623 0.069 Uiso 1 1 calc R U . . .
H17H H 0.535101 0.600844 0.158929 0.069 Uiso 1 1 calc R U . . .
H17F H 0.481844 0.624882 0.111830 0.069 Uiso 1 1 calc R U . . .
C176 C 0.6756(17) 0.6110(10) 0.3368(10) 0.074(4) Uani 1 1 d . U . . .
H176 H 0.683721 0.586830 0.304172 0.089 Uiso 1 1 calc R U . . .
C177 C 0.653(2) 0.5712(11) 0.3629(11) 0.101(7) Uani 1 1 d . U . . .
H17J H 0.631216 0.537396 0.336597 0.152 Uiso 1 1 calc R U . . .
H17K H 0.606250 0.583968 0.379444 0.152 Uiso 1 1 calc R U . . .
H17I H 0.705273 0.566138 0.389900 0.152 Uiso 1 1 calc R U . . .
C178 C 0.7538(19) 0.6441(12) 0.3538(12) 0.106(7) Uani 1 1 d . U . . .
H17M H 0.803945 0.624611 0.367768 0.127 Uiso 1 1 calc R U . . .
H17N H 0.749492 0.675166 0.381550 0.127 Uiso 1 1 calc R U . . .
H17L H 0.762838 0.655774 0.324119 0.127 Uiso 1 1 calc R U . . .
C179 C 0.4020(11) 0.7045(6) 0.3553(6) 0.035(3) Uani 1 1 d . U . . .
H179 H 0.352331 0.722322 0.336027 0.041 Uiso 1 1 calc R U . . .
C180 C 0.3644(13) 0.6586(6) 0.3690(7) 0.044(4) Uani 1 1 d . U . . .
H18C H 0.341145 0.629746 0.337027 0.066 Uiso 1 1 calc R U . . .
H18D H 0.316531 0.670121 0.384615 0.066 Uiso 1 1 calc R U . . .
H18E H 0.411081 0.645975 0.394316 0.066 Uiso 1 1 calc R U . . .
C181 C 0.4548(13) 0.7439(6) 0.4054(7) 0.044(4) Uani 1 1 d . U . . .
H18F H 0.517874 0.743372 0.407784 0.066 Uiso 1 1 calc R U . . .
H18G H 0.444732 0.734326 0.435885 0.066 Uiso 1 1 calc R U . . .
H18H H 0.435885 0.779606 0.404970 0.066 Uiso 1 1 calc R U . . .
C182 C 0.2918(11) 0.6662(5) 0.1647(6) 0.029(2) Uani 1 1 d . U . . .
C183 C 0.2828(11) 0.6695(6) 0.1135(6) 0.031(2) Uani 1 1 d . U . . .
C184 C 0.2489(12) 0.6260(6) 0.0703(7) 0.039(3) Uani 1 1 d . U . . .
H184 H 0.245607 0.629089 0.035931 0.046 Uiso 1 1 calc R U . . .
C185 C 0.2198(13) 0.5780(6) 0.0763(7) 0.044(3) Uani 1 1 d . U . . .
C186 C 0.2259(12) 0.5750(6) 0.1265(6) 0.039(3) Uani 1 1 d . U . . .
H186 H 0.203059 0.543372 0.131112 0.047 Uiso 1 1 calc R U . . .
C187 C 0.2645(11) 0.6169(6) 0.1717(6) 0.034(2) Uani 1 1 d . U . . .
C188 C 0.3074(11) 0.7191(6) 0.1000(6) 0.033(3) Uani 1 1 d . U . . .
H188 H 0.336940 0.745968 0.133746 0.040 Uiso 1 1 calc R U . . .
C189 C 0.2240(11) 0.7419(6) 0.0719(6) 0.037(3) Uani 1 1 d . U . . .
H18I H 0.240898 0.772512 0.060916 0.055 Uiso 1 1 calc R U . . .
H18J H 0.187763 0.753145 0.095938 0.055 Uiso 1 1 calc R U . . .
H18K H 0.189925 0.714713 0.040829 0.055 Uiso 1 1 calc R U . . .
C190 C 0.3715(12) 0.7101(6) 0.0668(7) 0.043(4) Uani 1 1 d . U . . .
H19A H 0.341961 0.686872 0.031963 0.065 Uiso 1 1 calc R U . . .
H19B H 0.422917 0.693438 0.084111 0.065 Uiso 1 1 calc R U . . .
H19C H 0.391104 0.744221 0.063044 0.065 Uiso 1 1 calc R U . . .
C191 C 0.1770(12) 0.5312(7) 0.0282(7) 0.060(4) Uani 1 1 d D U . . .
H191 H 0.145384 0.505766 0.040307 0.072 Uiso 1 1 calc R U . . .
C192 C 0.1118(15) 0.5475(9) -0.0145(8) 0.074(6) Uani 1 1 d D U . . .
H19D H 0.091700 0.517043 -0.045193 0.111 Uiso 1 1 calc R U . . .
H19E H 0.139398 0.575752 -0.024144 0.111 Uiso 1 1 calc R U . . .
H19F H 0.061132 0.560657 -0.002321 0.111 Uiso 1 1 calc R U . . .
C193 C 0.2523(16) 0.5050(10) 0.0132(11) 0.105(7) Uani 1 1 d D U . . .
H19G H 0.230411 0.471808 -0.013992 0.158 Uiso 1 1 calc R U . . .
H19H H 0.293555 0.497313 0.044210 0.158 Uiso 1 1 calc R U . . .
H19I H 0.282852 0.528488 -0.000444 0.158 Uiso 1 1 calc R U . . .
C194 C 0.2693(12) 0.6060(6) 0.2251(7) 0.038(3) Uani 1 1 d . U . . .
H194 H 0.293679 0.639876 0.252405 0.046 Uiso 1 1 calc R U . . .
C195 C 0.3379(14) 0.5649(7) 0.2365(7) 0.049(4) Uani 1 1 d . U . . .
H19J H 0.322659 0.532759 0.207245 0.074 Uiso 1 1 calc R U . . .
H19K H 0.337389 0.555936 0.269135 0.074 Uiso 1 1 calc R U . . .
H19L H 0.396962 0.579994 0.240206 0.074 Uiso 1 1 calc R U . . .
C196 C 0.1789(13) 0.5924(7) 0.2314(7) 0.046(4) Uani 1 1 d . U . . .
H19M H 0.140850 0.621492 0.226573 0.069 Uiso 1 1 calc R U . . .
H19N H 0.186755 0.587505 0.266721 0.069 Uiso 1 1 calc R U . . .
H19O H 0.151301 0.559696 0.204951 0.069 Uiso 1 1 calc R U . . .
C01 C 0.517(3) 0.5244(15) 0.9939(17) 0.157(10) Uani 1 1 d . U . . .
H01A H 0.487818 0.553696 1.012045 0.189 Uiso 1 1 calc R U . . .
H01B H 0.579975 0.529776 1.014541 0.189 Uiso 1 1 calc R U . . .
C02 C 0.516(3) 0.5378(16) 0.9458(16) 0.155(10) Uani 1 1 d . U . . .
H02A H 0.454414 0.534758 0.923142 0.186 Uiso 1 1 calc R U . . .
H02B H 0.549515 0.512173 0.926684 0.186 Uiso 1 1 calc R U . . .
C03 C 0.556(3) 0.5924(16) 0.9554(16) 0.166(11) Uani 1 1 d . U . . .
H03A H 0.620237 0.593377 0.970252 0.249 Uiso 1 1 calc R U . . .
H03B H 0.531383 0.617191 0.980258 0.249 Uiso 1 1 calc R U . . .
H03C H 0.542410 0.602645 0.922113 0.249 Uiso 1 1 calc R U . . .
C04 C 0.487(2) 0.0287(11) 1.0040(13) 0.118(8) Uani 1 1 d . U . . .
H04A H 0.541351 0.053222 1.020757 0.142 Uiso 1 1 calc R U . . .
H04B H 0.448959 0.035461 1.027690 0.142 Uiso 1 1 calc R U . . .
C05 C 0.438(2) 0.0393(13) 0.9507(13) 0.119(8) Uani 1 1 d . U . . .
H05A H 0.479588 0.042179 0.930134 0.143 Uiso 1 1 calc R U . . .
H05B H 0.391691 0.010411 0.929827 0.143 Uiso 1 1 calc R U . . .
C06 C 0.397(3) 0.0913(14) 0.9652(14) 0.141(10) Uani 1 1 d . U . . .
H06A H 0.349131 0.094842 0.934971 0.212 Uiso 1 1 calc R U . . .
H06B H 0.442586 0.120759 0.974997 0.212 Uiso 1 1 calc R U . . .
H06C H 0.374078 0.091988 0.995019 0.212 Uiso 1 1 calc R U . . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'
Cl Cl 0.1484 0.1585 '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
C19 Ir1 C20 38.5(6) . . ?
C19 Ir1 C23 97.8(7) . . ?
C20 Ir1 C23 82.9(7) . . ?
C19 Ir1 C16 80.5(7) . . ?
C20 Ir1 C16 89.6(7) . . ?
C23 Ir1 C16 37.4(6) . . ?
C19 Ir1 Si3 162.3(5) . . ?
C20 Ir1 Si3 156.0(5) . . ?
C23 Ir1 Si3 95.7(5) . . ?
C16 Ir1 Si3 103.8(5) . . ?
C19 Ir1 Sn1 103.3(5) . . ?
C20 Ir1 Sn1 92.3(5) . . ?
C23 Ir1 Sn1 139.1(5) . . ?
C16 Ir1 Sn1 175.7(5) . . ?
Si3 Ir1 Sn1 73.09(10) . . ?
N2 Sn1 N1 60.2(4) . . ?
N2 Sn1 Ir1 132.7(3) . . ?
N1 Sn1 Ir1 117.9(3) . . ?
N2 Sn1 Si4 116.4(3) . . ?
N1 Sn1 Si4 118.7(3) . . ?
Ir1 Sn1 Si4 105.10(9) . . ?
N2 Sn1 C1 30.3(4) . . ?
N1 Sn1 C1 30.0(4) . . ?
Ir1 Sn1 C1 130.6(3) . . ?
Si4 Sn1 C1 123.2(3) . . ?
N2 Sn1 Si3 162.8(3) . . ?
N1 Sn1 Si3 136.4(3) . . ?
Ir1 Sn1 Si3 50.02(8) . . ?
Si4 Sn1 Si3 55.38(12) . . ?
C1 Sn1 Si3 166.1(3) . . ?
Si3 Si1 Si4 69.11(17) . . ?
Si3 Si1 Si2 140.5(2) . . ?
Si4 Si1 Si2 128.0(2) . . ?
Si3 Si1 Si6 59.76(18) . . ?
Si4 Si1 Si6 81.32(18) . . ?
Si2 Si1 Si6 145.8(2) . . ?
C39 Si2 C54 109.7(7) . . ?
C39 Si2 Cl1 113.4(5) . . ?
C54 Si2 Cl1 98.7(5) . . ?
C39 Si2 Si1 107.8(5) . . ?
C54 Si2 Si1 126.4(5) . . ?
Cl1 Si2 Si1 99.8(2) . . ?
Si1 Si3 Si6 62.03(18) . . ?
Si1 Si3 Ir1 129.4(2) . . ?
Si6 Si3 Ir1 168.2(2) . . ?
Si1 Si3 Si4 55.59(15) . . ?
Si6 Si3 Si4 76.17(18) . . ?
Ir1 Si3 Si4 112.07(18) . . ?
Si1 Si3 Sn1 96.81(17) . . ?
Si6 Si3 Sn1 129.50(18) . . ?
Ir1 Si3 Sn1 56.89(9) . . ?
Si4 Si3 Sn1 55.53(12) . . ?
Si1 Si4 Si5 96.1(2) . . ?
Si1 Si4 Si3 55.31(16) . . ?
Si5 Si4 Si3 88.04(19) . . ?
Si1 Si4 Sn1 106.97(18) . . ?
Si5 Si4 Sn1 126.96(19) . . ?
Si3 Si4 Sn1 69.09(14) . . ?
C84 Si5 C69 106.3(7) . . ?
C84 Si5 Si6 123.2(5) . . ?
C69 Si5 Si6 113.8(5) . . ?
C84 Si5 Si4 107.6(5) . . ?
C69 Si5 Si4 125.9(6) . . ?
Si6 Si5 Si4 79.57(18) . . ?
C24 Si6 Si3 133.9(6) . . ?
C24 Si6 Si5 126.9(5) . . ?
Si3 Si6 Si5 95.0(2) . . ?
C24 Si6 Si1 126.1(5) . . ?
Si3 Si6 Si1 58.21(17) . . ?
Si5 Si6 Si1 94.1(2) . . ?
C1 N1 C8 131.5(13) . . ?
C1 N1 Sn1 94.0(8) . . ?
C8 N1 Sn1 134.1(10) . . ?
C1 N2 C12 128.3(13) . . ?
C1 N2 Sn1 94.4(9) . . ?
C12 N2 Sn1 137.2(9) . . ?
N1 C1 N2 111.3(13) . . ?
N1 C1 C2 123.1(13) . . ?
N2 C1 C2 125.6(14) . . ?
N1 C1 Sn1 56.0(7) . . ?
N2 C1 Sn1 55.3(7) . . ?
C2 C1 Sn1 178.9(11) . . ?
C7 C2 C3 118.9(15) . . ?
C7 C2 C1 119.5(15) . . ?
C3 C2 C1 121.6(13) . . ?
C4 C3 C2 119.8(15) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 119.7(18) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 122.9(18) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C5 C6 C7 120.3(17) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C2 C7 C6 118.4(17) . . ?
C2 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C11 C8 N1 111.7(14) . . ?
C11 C8 C9 110.8(15) . . ?
N1 C8 C9 104.5(12) . . ?
C11 C8 C10 111.6(14) . . ?
N1 C8 C10 109.5(13) . . ?
C9 C8 C10 108.4(14) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C15 109.5(16) . . ?
C14 C12 N2 109.1(15) . . ?
C15 C12 N2 113.6(14) . . ?
C14 C12 C13 112.0(15) . . ?
C15 C12 C13 110.2(15) . . ?
N2 C12 C13 102.4(13) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C23 C16 C17 126.5(17) . . ?
C23 C16 Ir1 70.5(10) . . ?
C17 C16 Ir1 111.6(13) . . ?
C23 C16 H16 113.4 . . ?
C17 C16 H16 113.4 . . ?
Ir1 C16 H16 113.4 . . ?
C18 C17 C16 117.1(17) . . ?
C18 C17 H17A 108.0 . . ?
C16 C17 H17A 108.0 . . ?
C18 C17 H17B 108.0 . . ?
C16 C17 H17B 108.0 . . ?
H17A C17 H17B 107.3 . . ?
C17 C18 C19 114.2(17) . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 C18 123.0(16) . . ?
C20 C19 Ir1 71.2(10) . . ?
C18 C19 Ir1 110.5(13) . . ?
C20 C19 H19 114.7 . . ?
C18 C19 H19 114.7 . . ?
Ir1 C19 H19 114.7 . . ?
C19 C20 C21 123.7(16) . . ?
C19 C20 Ir1 70.3(10) . . ?
C21 C20 Ir1 112.8(12) . . ?
C19 C20 H20 114.1 . . ?
C21 C20 H20 114.1 . . ?
Ir1 C20 H20 114.1 . . ?
C20 C21 C22 114.3(15) . . ?
C20 C21 H21A 108.7 . . ?
C22 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
C22 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 C23 115.3(15) . . ?
C21 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C16 C23 C22 121.1(17) . . ?
C16 C23 Ir1 72.1(10) . . ?
C22 C23 Ir1 107.9(12) . . ?
C16 C23 H23 115.8 . . ?
C22 C23 H23 115.8 . . ?
Ir1 C23 H23 115.8 . . ?
C29 C24 C25 115.5(17) . . ?
C29 C24 Si6 122.8(14) . . ?
C25 C24 Si6 121.7(13) . . ?
C26 C25 C24 119.8(18) . . ?
C26 C25 C30 116.7(18) . . ?
C24 C25 C30 122.6(17) . . ?
C27 C26 C25 125(2) . . ?
C27 C26 H26 117.5 . . ?
C25 C26 H26 117.5 . . ?
C26 C27 C28 113(2) . . ?
C26 C27 C33B 131(3) . . ?
C28 C27 C33B 111(3) . . ?
C26 C27 C33A 116(2) . . ?
C28 C27 C33A 131(2) . . ?
C29 C28 C27 125(2) . . ?
C29 C28 H28 117.3 . . ?
C27 C28 H28 117.3 . . ?
C28 C29 C24 121.4(19) . . ?
C28 C29 C36 118.2(17) . . ?
C24 C29 C36 120.3(17) . . ?
C25 C30 C31 114.7(15) . . ?
C25 C30 C32 112.8(17) . . ?
C31 C30 C32 110.5(16) . . ?
C25 C30 H30 106.1 . . ?
C31 C30 H30 106.1 . . ?
C32 C30 H30 106.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35A C33A C34A 123(3) . . ?
C35A C33A C27 106(2) . . ?
C34A C33A C27 125(3) . . ?
C35A C33A H33A 98.1 . . ?
C34A C33A H33A 98.1 . . ?
C27 C33A H33A 98.1 . . ?
C33A C34A H34A 109.5 . . ?
C33A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C33A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C33A C35A H35A 109.5 . . ?
C33A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C33A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C34B C33B C35B 110(6) . . ?
C34B C33B C27 105(5) . . ?
C35B C33B C27 91(3) . . ?
C34B C33B H33B 116.1 . . ?
C35B C33B H33B 116.1 . . ?
C27 C33B H33B 116.1 . . ?
C33B C34B H34D 109.5 . . ?
C33B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C33B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C33B C35B H35D 109.5 . . ?
C33B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C33B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C38 C36 C29 113.7(16) . . ?
C38 C36 C37 111.1(14) . . ?
C29 C36 C37 108.1(15) . . ?
C38 C36 H36 107.9 . . ?
C29 C36 H36 107.9 . . ?
C37 C36 H36 107.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 116.2(14) . . ?
C40 C39 Si2 127.1(12) . . ?
C44 C39 Si2 116.1(11) . . ?
C41 C40 C39 122.6(15) . . ?
C41 C40 C45 117.3(14) . . ?
C39 C40 C45 120.0(14) . . ?
C42 C41 C40 121.4(15) . . ?
C42 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
C41 C42 C43 116.4(15) . . ?
C41 C42 C48 121.8(16) . . ?
C43 C42 C48 121.6(15) . . ?
C44 C43 C42 122.6(16) . . ?
C44 C43 H43 118.7 . . ?
C42 C43 H43 118.7 . . ?
C43 C44 C39 120.1(15) . . ?
C43 C44 C51 117.2(14) . . ?
C39 C44 C51 122.7(14) . . ?
C46 C45 C47 110.7(14) . . ?
C46 C45 C40 112.4(14) . . ?
C47 C45 C40 109.9(14) . . ?
C46 C45 H45 107.9 . . ?
C47 C45 H45 107.9 . . ?
C40 C45 H45 107.9 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C50B 105(2) . . ?
C49 C48 C50A 129(3) . . ?
C49 C48 C42 108.2(14) . . ?
C50B C48 C42 113(2) . . ?
C50A C48 C42 116(2) . . ?
C49 C48 H48A 98.7 . . ?
C50A C48 H48A 98.7 . . ?
C42 C48 H48A 98.7 . . ?
C49 C48 H48B 110.1 . . ?
C50B C48 H48B 110.1 . . ?
C42 C48 H48B 110.1 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50A H50A 109.5 . . ?
C48 C50A H50B 109.5 . . ?
H50A C50A H50B 109.5 . . ?
C48 C50A H50C 109.5 . . ?
H50A C50A H50C 109.5 . . ?
H50B C50A H50C 109.5 . . ?
C48 C50B H50D 109.5 . . ?
C48 C50B H50E 109.5 . . ?
H50D C50B H50E 109.5 . . ?
C48 C50B H50F 109.5 . . ?
H50D C50B H50F 109.5 . . ?
H50E C50B H50F 109.5 . . ?
C44 C51 C53 110.7(13) . . ?
C44 C51 C52 113.6(13) . . ?
C53 C51 C52 107.9(13) . . ?
C44 C51 H51 108.2 . . ?
C53 C51 H51 108.2 . . ?
C52 C51 H51 108.2 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C59 C54 C55 118.5(14) . . ?
C59 C54 Si2 124.6(11) . . ?
C55 C54 Si2 115.9(11) . . ?
C56 C55 C54 118.1(15) . . ?
C56 C55 C60 116.3(14) . . ?
C54 C55 C60 125.5(14) . . ?
C55 C56 C57 121.5(16) . . ?
C55 C56 H56 119.3 . . ?
C57 C56 H56 119.3 . . ?
C58 C57 C56 118.4(16) . . ?
C58 C57 C63 118.4(16) . . ?
C56 C57 C63 123.2(15) . . ?
C57 C58 C59 122.4(17) . . ?
C57 C58 H58 118.8 . . ?
C59 C58 H58 118.8 . . ?
C58 C59 C54 120.3(15) . . ?
C58 C59 C66 114.8(14) . . ?
C54 C59 C66 124.2(13) . . ?
C62 C60 C61 111.6(14) . . ?
C62 C60 C55 111.9(14) . . ?
C61 C60 C55 108.2(14) . . ?
C62 C60 H60 108.3 . . ?
C61 C60 H60 108.3 . . ?
C55 C60 H60 108.3 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C65 C63 C64 116.9(17) . . ?
C65 C63 C57 114.4(16) . . ?
C64 C63 C57 111.8(16) . . ?
C65 C63 H63 103.9 . . ?
C64 C63 H63 103.9 . . ?
C57 C63 H63 103.9 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C68 C66 C67 112.6(14) . . ?
C68 C66 C59 113.4(14) . . ?
C67 C66 C59 110.0(14) . . ?
C68 C66 H66 106.8 . . ?
C67 C66 H66 106.8 . . ?
C59 C66 H66 106.8 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C74 118.3(15) . . ?
C70 C69 Si5 117.0(13) . . ?
C74 C69 Si5 124.5(13) . . ?
C71 C70 C69 119.9(18) . . ?
C71 C70 C75 116.5(17) . . ?
C69 C70 C75 123.6(16) . . ?
C72 C71 C70 124(2) . . ?
C72 C71 H71 118.2 . . ?
C70 C71 H71 118.2 . . ?
C71 C72 C73 116.1(19) . . ?
C71 C72 C78 121(2) . . ?
C73 C72 C78 123(2) . . ?
C74 C73 C72 122.4(19) . . ?
C74 C73 H73 118.8 . . ?
C72 C73 H73 118.8 . . ?
C73 C74 C69 119.5(17) . . ?
C73 C74 C81 114.6(16) . . ?
C69 C74 C81 125.9(15) . . ?
C70 C75 C77 113.5(16) . . ?
C70 C75 C76 110.6(15) . . ?
C77 C75 C76 108.1(15) . . ?
C70 C75 H75 108.2 . . ?
C77 C75 H75 108.2 . . ?
C76 C75 H75 108.2 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C72 C78 C79 116(2) . . ?
C72 C78 C80 108.8(19) . . ?
C79 C78 C80 117(2) . . ?
C72 C78 H78 104.3 . . ?
C79 C78 H78 104.3 . . ?
C80 C78 H78 104.3 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C74 C81 C83 111.7(16) . . ?
C74 C81 C82 113.3(14) . . ?
C83 C81 C82 108.3(15) . . ?
C74 C81 H81 107.8 . . ?
C83 C81 H81 107.8 . . ?
C82 C81 H81 107.8 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 C89 117.9(14) . . ?
C85 C84 Si5 116.0(11) . . ?
C89 C84 Si5 125.8(11) . . ?
C86 C85 C84 120.2(15) . . ?
C86 C85 C90 116.4(14) . . ?
C84 C85 C90 123.4(14) . . ?
C85 C86 C87 122.1(16) . . ?
C85 C86 H86 118.9 . . ?
C87 C86 H86 118.9 . . ?
C88 C87 C86 117.4(15) . . ?
C88 C87 C93 121.3(16) . . ?
C86 C87 C93 121.4(15) . . ?
C87 C88 C89 122.6(16) . . ?
C87 C88 H88 118.7 . . ?
C89 C88 H88 118.7 . . ?
C84 C89 C88 119.7(14) . . ?
C84 C89 C96 124.6(13) . . ?
C88 C89 C96 115.7(14) . . ?
C91 C90 C85 112.4(15) . . ?
C91 C90 C92 112.2(15) . . ?
C85 C90 C92 111.5(15) . . ?
C91 C90 H90 106.8 . . ?
C85 C90 H90 106.8 . . ?
C92 C90 H90 106.8 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C95 C93 C94 109.8(19) . . ?
C95 C93 C87 107.8(16) . . ?
C94 C93 C87 115.3(15) . . ?
C95 C93 H93 107.9 . . ?
C94 C93 H93 107.9 . . ?
C87 C93 H93 107.9 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C98 C96 C89 113.3(13) . . ?
C98 C96 C97 112.1(14) . . ?
C89 C96 C97 105.9(14) . . ?
C98 C96 H96 108.5 . . ?
C89 C96 H96 108.5 . . ?
C97 C96 H96 108.5 . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C121 Ir2 C118 82.5(8) . . ?
C121 Ir2 C114 37.5(6) . . ?
C118 Ir2 C114 91.3(7) . . ?
C121 Ir2 C117 94.6(8) . . ?
C118 Ir2 C117 37.2(7) . . ?
C114 Ir2 C117 79.9(7) . . ?
C121 Ir2 Si9 97.2(6) . . ?
C118 Ir2 Si9 156.0(5) . . ?
C114 Ir2 Si9 103.0(5) . . ?
C117 Ir2 Si9 163.9(5) . . ?
C121 Ir2 Sn2 140.3(5) . . ?
C118 Ir2 Sn2 91.8(5) . . ?
C114 Ir2 Sn2 175.7(5) . . ?
C117 Ir2 Sn2 104.4(5) . . ?
Si9 Ir2 Sn2 73.01(10) . . ?
N3 Sn2 N4 60.5(5) . . ?
N3 Sn2 Ir2 131.7(4) . . ?
N4 Sn2 Ir2 117.8(3) . . ?
N3 Sn2 Si10 117.5(4) . . ?
N4 Sn2 Si10 118.6(4) . . ?
Ir2 Sn2 Si10 104.98(9) . . ?
N3 Sn2 C99 29.6(4) . . ?
N4 Sn2 C99 30.9(5) . . ?
Ir2 Sn2 C99 129.8(3) . . ?
Si10 Sn2 C99 124.3(3) . . ?
N3 Sn2 Si9 163.4(3) . . ?
N4 Sn2 Si9 135.8(4) . . ?
Ir2 Sn2 Si9 49.61(8) . . ?
Si10 Sn2 Si9 55.70(12) . . ?
C99 Sn2 Si9 166.7(3) . . ?
Si10 Si7 Si9 68.44(17) . . ?
Si10 Si7 Si8 128.3(2) . . ?
Si9 Si7 Si8 140.0(2) . . ?
Si10 Si7 Si12 81.16(18) . . ?
Si9 Si7 Si12 59.99(17) . . ?
Si8 Si7 Si12 146.1(2) . . ?
C137 Si8 C152 107.3(6) . . ?
C137 Si8 Cl2 113.7(5) . . ?
C152 Si8 Cl2 100.1(5) . . ?
C137 Si8 Si7 108.2(5) . . ?
C152 Si8 Si7 127.2(5) . . ?
Cl2 Si8 Si7 100.0(2) . . ?
Si7 Si9 Ir2 129.5(2) . . ?
Si7 Si9 Si12 61.06(18) . . ?
Ir2 Si9 Si12 168.9(2) . . ?
Si7 Si9 Si10 55.43(15) . . ?
Ir2 Si9 Si10 112.69(19) . . ?
Si12 Si9 Si10 75.66(18) . . ?
Si7 Si9 Sn2 96.87(17) . . ?
Ir2 Si9 Sn2 57.38(10) . . ?
Si12 Si9 Sn2 129.37(18) . . ?
Si10 Si9 Sn2 55.69(12) . . ?
Si7 Si10 Si11 95.8(2) . . ?
Si7 Si10 Sn2 107.22(18) . . ?
Si11 Si10 Sn2 127.44(19) . . ?
Si7 Si10 Si9 56.13(16) . . ?
Si11 Si10 Si9 88.39(19) . . ?
Sn2 Si10 Si9 68.61(14) . . ?
C167 Si11 C182 105.7(7) . . ?
C167 Si11 Si12 114.2(5) . . ?
C182 Si11 Si12 122.6(5) . . ?
C167 Si11 Si10 125.3(5) . . ?
C182 Si11 Si10 109.1(5) . . ?
Si12 Si11 Si10 79.59(18) . . ?
C122 Si12 Si9 133.3(5) . . ?
C122 Si12 Si7 125.9(5) . . ?
Si9 Si12 Si7 58.94(17) . . ?
C122 Si12 Si11 127.3(5) . . ?
Si9 Si12 Si11 94.8(2) . . ?
Si7 Si12 Si11 94.1(2) . . ?
C99 N3 C106 127.5(14) . . ?
C99 N3 Sn2 95.5(10) . . ?
C106 N3 Sn2 136.7(10) . . ?
C99 N4 C110 130.7(13) . . ?
C99 N4 Sn2 92.8(9) . . ?
C110 N4 Sn2 136.0(10) . . ?
N3 C99 N4 111.0(13) . . ?
N3 C99 C100 127.9(14) . . ?
N4 C99 C100 120.9(13) . . ?
N3 C99 Sn2 54.9(8) . . ?
N4 C99 Sn2 56.3(7) . . ?
C100 C99 Sn2 177.2(11) . . ?
C105 C100 C101 118.6(15) . . ?
C105 C100 C99 122.0(14) . . ?
C101 C100 C99 119.4(14) . . ?
C102 C101 C100 118.6(17) . . ?
C102 C101 H101 120.7 . . ?
C100 C101 H101 120.7 . . ?
C103 C102 C101 120.5(17) . . ?
C103 C102 H102 119.8 . . ?
C101 C102 H102 119.8 . . ?
C102 C103 C104 123.6(17) . . ?
C102 C103 H103 118.2 . . ?
C104 C103 H103 118.2 . . ?
C105 C104 C103 113.7(16) . . ?
C105 C104 H104 123.1 . . ?
C103 C104 H104 123.1 . . ?
C100 C105 C104 124.8(16) . . ?
C100 C105 H105 117.6 . . ?
C104 C105 H105 117.6 . . ?
N3 C106 C108 114.5(14) . . ?
N3 C106 C109 103.4(14) . . ?
C108 C106 C109 109.3(15) . . ?
N3 C106 C107 110.6(14) . . ?
C108 C106 C107 110.6(16) . . ?
C109 C106 C107 107.9(14) . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C108 H10G 109.5 . . ?
C106 C108 H10H 109.5 . . ?
H10G C108 H10H 109.5 . . ?
C106 C108 H10I 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C106 C109 H10J 109.5 . . ?
C106 C109 H10K 109.5 . . ?
H10J C109 H10K 109.5 . . ?
C106 C109 H10L 109.5 . . ?
H10J C109 H10L 109.5 . . ?
H10K C109 H10L 109.5 . . ?
N4 C110 C113 104.4(13) . . ?
N4 C110 C112 113.2(14) . . ?
C113 C110 C112 110.8(16) . . ?
N4 C110 C111 112.8(15) . . ?
C113 C110 C111 106.8(15) . . ?
C112 C110 C111 108.6(15) . . ?
C110 C111 H11D 109.5 . . ?
C110 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C110 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C110 C112 H11G 109.5 . . ?
C110 C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C110 C112 H11I 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C110 C113 H11J 109.5 . . ?
C110 C113 H11K 109.5 . . ?
H11J C113 H11K 109.5 . . ?
C110 C113 H11L 109.5 . . ?
H11J C113 H11L 109.5 . . ?
H11K C113 H11L 109.5 . . ?
C121 C114 C115 126.6(18) . . ?
C121 C114 Ir2 68.7(9) . . ?
C115 C114 Ir2 112.1(13) . . ?
C121 C114 H114 113.6 . . ?
C115 C114 H114 113.6 . . ?
Ir2 C114 H114 113.6 . . ?
C114 C115 C116 118.4(16) . . ?
C114 C115 H11M 107.7 . . ?
C116 C115 H11M 107.7 . . ?
C114 C115 H11N 107.7 . . ?
C116 C115 H11N 107.7 . . ?
H11M C115 H11N 107.1 . . ?
C117 C116 C115 112.3(18) . . ?
C117 C116 H11O 109.1 . . ?
C115 C116 H11O 109.1 . . ?
C117 C116 H11P 109.1 . . ?
C115 C116 H11P 109.1 . . ?
H11O C116 H11P 107.9 . . ?
C118 C117 C116 125.7(18) . . ?
C118 C117 Ir2 70.4(12) . . ?
C116 C117 Ir2 114.6(14) . . ?
C118 C117 H117 113.0 . . ?
C116 C117 H117 113.0 . . ?
Ir2 C117 H117 113.0 . . ?
C117 C118 C119 123.4(18) . . ?
C117 C118 Ir2 72.4(11) . . ?
C119 C118 Ir2 112.5(15) . . ?
C117 C118 H118 113.9 . . ?
C119 C118 H118 113.9 . . ?
Ir2 C118 H118 113.9 . . ?
C118 C119 C120 114.2(17) . . ?
C118 C119 H11Q 108.7 . . ?
C120 C119 H11Q 108.7 . . ?
C118 C119 H11R 108.7 . . ?
C120 C119 H11R 108.7 . . ?
H11Q C119 H11R 107.6 . . ?
C119 C120 C121 117.9(17) . . ?
C119 C120 H12A 107.8 . . ?
C121 C120 H12A 107.8 . . ?
C119 C120 H12B 107.8 . . ?
C121 C120 H12B 107.8 . . ?
H12A C120 H12B 107.2 . . ?
C114 C121 C120 120.0(18) . . ?
C114 C121 Ir2 73.8(10) . . ?
C120 C121 Ir2 110.2(13) . . ?
C114 C121 H121 115.3 . . ?
C120 C121 H121 115.3 . . ?
Ir2 C121 H121 115.3 . . ?
C127 C122 C123 118.3(16) . . ?
C127 C122 Si12 122.4(13) . . ?
C123 C122 Si12 119.2(12) . . ?
C124 C123 C122 118.6(16) . . ?
C124 C123 C128 117.9(16) . . ?
C122 C123 C128 123.5(16) . . ?
C125 C124 C123 124(2) . . ?
C125 C124 H124 118.2 . . ?
C123 C124 H124 118.2 . . ?
C124 C125 C126 118(2) . . ?
C124 C125 C131 124(2) . . ?
C126 C125 C131 118(2) . . ?
C127 C126 C125 121.0(19) . . ?
C127 C126 H126 119.5 . . ?
C125 C126 H126 119.5 . . ?
C126 C127 C122 120.1(17) . . ?
C126 C127 C134 118.5(16) . . ?
C122 C127 C134 121.4(16) . . ?
C123 C128 C129 109.2(14) . . ?
C123 C128 C130 115.6(15) . . ?
C129 C128 C130 109.1(14) . . ?
C123 C128 H128 107.5 . . ?
C129 C128 H128 107.5 . . ?
C130 C128 H128 107.5 . . ?
C128 C129 H12C 109.5 . . ?
C128 C129 H12D 109.5 . . ?
H12C C129 H12D 109.5 . . ?
C128 C129 H12E 109.5 . . ?
H12C C129 H12E 109.5 . . ?
H12D C129 H12E 109.5 . . ?
C128 C130 H13D 109.5 . . ?
C128 C130 H13E 109.5 . . ?
H13D C130 H13E 109.5 . . ?
C128 C130 H13F 109.5 . . ?
H13D C130 H13F 109.5 . . ?
H13E C130 H13F 109.5 . . ?
C132 C131 C133 124(2) . . ?
C132 C131 C125 115(2) . . ?
C133 C131 C125 116(2) . . ?
C132 C131 H131 97.5 . . ?
C133 C131 H131 97.5 . . ?
C125 C131 H131 97.5 . . ?
C131 C132 H13G 109.5 . . ?
C131 C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
C131 C132 H13I 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C131 C133 H13J 109.5 . . ?
C131 C133 H13K 109.5 . . ?
H13J C133 H13K 109.5 . . ?
C131 C133 H13L 109.5 . . ?
H13J C133 H13L 109.5 . . ?
H13K C133 H13L 109.5 . . ?
C136 C134 C135 109.3(15) . . ?
C136 C134 C127 110.3(15) . . ?
C135 C134 C127 112.1(17) . . ?
C136 C134 H134 108.3 . . ?
C135 C134 H134 108.3 . . ?
C127 C134 H134 108.3 . . ?
C134 C135 H13R 109.5 . . ?
C134 C135 H13M 109.5 . . ?
H13R C135 H13M 109.5 . . ?
C134 C135 H13N 109.5 . . ?
H13R C135 H13N 109.5 . . ?
H13M C135 H13N 109.5 . . ?
C134 C136 H13O 109.5 . . ?
C134 C136 H13P 109.5 . . ?
H13O C136 H13P 109.5 . . ?
C134 C136 H13Q 109.5 . . ?
H13O C136 H13Q 109.5 . . ?
H13P C136 H13Q 109.5 . . ?
C138 C137 C142 115.1(13) . . ?
C138 C137 Si8 125.6(12) . . ?
C142 C137 Si8 118.7(10) . . ?
C139 C138 C137 121.7(14) . . ?
C139 C138 C143 115.1(13) . . ?
C137 C138 C143 123.2(14) . . ?
C138 C139 C140 121.0(15) . . ?
C138 C139 H139 119.5 . . ?
C140 C139 H139 119.5 . . ?
C141 C140 C139 120.3(15) . . ?
C141 C140 C146 118.3(16) . . ?
C139 C140 C146 121.3(15) . . ?
C140 C141 C142 118.2(15) . . ?
C140 C141 H141 120.9 . . ?
C142 C141 H141 120.9 . . ?
C141 C142 C137 123.1(14) . . ?
C141 C142 C149 116.5(14) . . ?
C137 C142 C149 120.3(13) . . ?
C138 C143 C144 114.2(14) . . ?
C138 C143 C145 110.2(14) . . ?
C144 C143 C145 112.0(13) . . ?
C138 C143 H143 106.6 . . ?
C144 C143 H143 106.6 . . ?
C145 C143 H143 106.6 . . ?
C143 C144 H14D 109.5 . . ?
C143 C144 H14E 109.5 . . ?
H14D C144 H14E 109.5 . . ?
C143 C144 H14F 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
C143 C145 H14G 109.5 . . ?
C143 C145 H14H 109.5 . . ?
H14G C145 H14H 109.5 . . ?
C143 C145 H14I 109.5 . . ?
H14G C145 H14I 109.5 . . ?
H14H C145 H14I 109.5 . . ?
C148 C146 C140 112.7(17) . . ?
C148 C146 C147 109.7(18) . . ?
C140 C146 C147 111.2(17) . . ?
C148 C146 H146 107.7 . . ?
C140 C146 H146 107.7 . . ?
C147 C146 H146 107.7 . . ?
C146 C147 H14J 109.5 . . ?
C146 C147 H14K 109.5 . . ?
H14J C147 H14K 109.5 . . ?
C146 C147 H14L 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
C146 C148 H14M 109.5 . . ?
C146 C148 H14N 109.5 . . ?
H14M C148 H14N 109.5 . . ?
C146 C148 H14O 109.5 . . ?
H14M C148 H14O 109.5 . . ?
H14N C148 H14O 109.5 . . ?
C150 C149 C151 113.3(13) . . ?
C150 C149 C142 110.4(13) . . ?
C151 C149 C142 111.7(12) . . ?
C150 C149 H149 107.0 . . ?
C151 C149 H149 107.0 . . ?
C142 C149 H149 107.0 . . ?
C149 C150 H15D 109.5 . . ?
C149 C150 H15E 109.5 . . ?
H15D C150 H15E 109.5 . . ?
C149 C150 H15F 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C149 C151 H15G 109.5 . . ?
C149 C151 H15H 109.5 . . ?
H15G C151 H15H 109.5 . . ?
C149 C151 H15I 109.5 . . ?
H15G C151 H15I 109.5 . . ?
H15H C151 H15I 109.5 . . ?
C157 C152 C153 118.6(13) . . ?
C157 C152 Si8 124.6(11) . . ?
C153 C152 Si8 116.8(11) . . ?
C154 C153 C152 118.0(14) . . ?
C154 C153 C158 115.6(13) . . ?
C152 C153 C158 126.3(13) . . ?
C153 C154 C155 123.0(14) . . ?
C153 C154 H154 118.5 . . ?
C155 C154 H154 118.5 . . ?
C156 C155 C154 118.3(14) . . ?
C156 C155 C161 119.4(15) . . ?
C154 C155 C161 122.3(14) . . ?
C155 C156 C157 122.0(15) . . ?
C155 C156 H156 119.0 . . ?
C157 C156 H156 119.0 . . ?
C156 C157 C152 120.0(14) . . ?
C156 C157 C164 116.5(13) . . ?
C152 C157 C164 123.4(13) . . ?
C159 C158 C160 111.2(13) . . ?
C159 C158 C153 115.2(12) . . ?
C160 C158 C153 113.4(13) . . ?
C159 C158 H158 105.3 . . ?
C160 C158 H158 105.3 . . ?
C153 C158 H158 105.3 . . ?
C158 C159 H15J 109.5 . . ?
C158 C159 H15K 109.5 . . ?
H15J C159 H15K 109.5 . . ?
C158 C159 H15L 109.5 . . ?
H15J C159 H15L 109.5 . . ?
H15K C159 H15L 109.5 . . ?
C158 C160 H16A 109.5 . . ?
C158 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C158 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C163 C161 C162 113.1(15) . . ?
C163 C161 C155 113.3(14) . . ?
C162 C161 C155 115.5(14) . . ?
C163 C161 H161 104.5 . . ?
C162 C161 H161 104.5 . . ?
C155 C161 H161 104.5 . . ?
C161 C162 H16D 109.5 . . ?
C161 C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
C161 C162 H16F 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
C161 C163 H16G 109.5 . . ?
C161 C163 H16H 109.5 . . ?
H16G C163 H16H 109.5 . . ?
C161 C163 H16I 109.5 . . ?
H16G C163 H16I 109.5 . . ?
H16H C163 H16I 109.5 . . ?
C157 C164 C165 110.4(13) . . ?
C157 C164 C166 111.0(13) . . ?
C165 C164 C166 112.7(13) . . ?
C157 C164 H164 107.5 . . ?
C165 C164 H164 107.5 . . ?
C166 C164 H164 107.5 . . ?
C164 C165 H16J 109.5 . . ?
C164 C165 H16K 109.5 . . ?
H16J C165 H16K 109.5 . . ?
C164 C165 H16L 109.5 . . ?
H16J C165 H16L 109.5 . . ?
H16K C165 H16L 109.5 . . ?
C164 C166 H16M 109.5 . . ?
C164 C166 H16N 109.5 . . ?
H16M C166 H16N 109.5 . . ?
C164 C166 H16O 109.5 . . ?
H16M C166 H16O 109.5 . . ?
H16N C166 H16O 109.5 . . ?
C172 C167 C168 116.3(15) . . ?
C172 C167 Si11 126.7(12) . . ?
C168 C167 Si11 116.9(12) . . ?
C169 C168 C167 118.7(17) . . ?
C169 C168 C173 119.9(17) . . ?
C167 C168 C173 121.4(15) . . ?
C170 C169 C168 126(2) . . ?
C170 C169 H169 116.8 . . ?
C168 C169 H169 116.8 . . ?
C169 C170 C171 115.7(19) . . ?
C169 C170 C176 123(2) . . ?
C171 C170 C176 121.2(19) . . ?
C170 C171 C172 123.8(18) . . ?
C170 C171 H171 118.1 . . ?
C172 C171 H171 118.1 . . ?
C171 C172 C167 119.2(16) . . ?
C171 C172 C179 118.4(15) . . ?
C167 C172 C179 122.4(14) . . ?
C168 C173 C175 110.5(15) . . ?
C168 C173 C174 110.5(15) . . ?
C175 C173 C174 109.7(14) . . ?
C168 C173 H173 108.7 . . ?
C175 C173 H173 108.7 . . ?
C174 C173 H173 108.7 . . ?
C173 C174 H17C 109.5 . . ?
C173 C174 H17D 109.5 . . ?
H17C C174 H17D 109.5 . . ?
C173 C174 H17E 109.5 . . ?
H17C C174 H17E 109.5 . . ?
H17D C174 H17E 109.5 . . ?
C173 C175 H17G 109.5 . . ?
C173 C175 H17H 109.5 . . ?
H17G C175 H17H 109.5 . . ?
C173 C175 H17F 109.5 . . ?
H17G C175 H17F 109.5 . . ?
H17H C175 H17F 109.5 . . ?
C178 C176 C177 126(2) . . ?
C178 C176 C170 112(2) . . ?
C177 C176 C170 113(2) . . ?
C178 C176 H176 100.1 . . ?
C177 C176 H176 100.1 . . ?
C170 C176 H176 100.1 . . ?
C176 C177 H17J 109.5 . . ?
C176 C177 H17K 109.5 . . ?
H17J C177 H17K 109.5 . . ?
C176 C177 H17I 109.5 . . ?
H17J C177 H17I 109.5 . . ?
H17K C177 H17I 109.5 . . ?
C176 C178 H17M 109.5 . . ?
C176 C178 H17N 109.5 . . ?
H17M C178 H17N 109.5 . . ?
C176 C178 H17L 109.5 . . ?
H17M C178 H17L 109.5 . . ?
H17N C178 H17L 109.5 . . ?
C180 C179 C181 109.4(14) . . ?
C180 C179 C172 109.7(13) . . ?
C181 C179 C172 110.1(14) . . ?
C180 C179 H179 109.2 . . ?
C181 C179 H179 109.2 . . ?
C172 C179 H179 109.2 . . ?
C179 C180 H18C 109.5 . . ?
C179 C180 H18D 109.5 . . ?
H18C C180 H18D 109.5 . . ?
C179 C180 H18E 109.5 . . ?
H18C C180 H18E 109.5 . . ?
H18D C180 H18E 109.5 . . ?
C179 C181 H18F 109.5 . . ?
C179 C181 H18G 109.5 . . ?
H18F C181 H18G 109.5 . . ?
C179 C181 H18H 109.5 . . ?
H18F C181 H18H 109.5 . . ?
H18G C181 H18H 109.5 . . ?
C183 C182 C187 117.8(13) . . ?
C183 C182 Si11 128.1(11) . . ?
C187 C182 Si11 114.1(11) . . ?
C182 C183 C184 121.2(14) . . ?
C182 C183 C188 123.8(13) . . ?
C184 C183 C188 115.0(14) . . ?
C185 C184 C183 121.6(16) . . ?
C185 C184 H184 119.2 . . ?
C183 C184 H184 119.2 . . ?
C186 C185 C184 117.5(15) . . ?
C186 C185 C191 121.1(15) . . ?
C184 C185 C191 121.3(16) . . ?
C185 C186 C187 123.0(15) . . ?
C185 C186 H186 118.5 . . ?
C187 C186 H186 118.5 . . ?
C186 C187 C182 118.8(14) . . ?
C186 C187 C194 116.1(13) . . ?
C182 C187 C194 125.0(13) . . ?
C183 C188 C190 112.9(13) . . ?
C183 C188 C189 110.1(13) . . ?
C190 C188 C189 110.2(13) . . ?
C183 C188 H188 107.8 . . ?
C190 C188 H188 107.8 . . ?
C189 C188 H188 107.8 . . ?
C188 C189 H18I 109.5 . . ?
C188 C189 H18J 109.5 . . ?
H18I C189 H18J 109.5 . . ?
C188 C189 H18K 109.5 . . ?
H18I C189 H18K 109.5 . . ?
H18J C189 H18K 109.5 . . ?
C188 C190 H19A 109.5 . . ?
C188 C190 H19B 109.5 . . ?
H19A C190 H19B 109.5 . . ?
C188 C190 H19C 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C193 C191 C192 115(2) . . ?
C193 C191 C185 104.9(17) . . ?
C192 C191 C185 113.2(15) . . ?
C193 C191 H191 107.8 . . ?
C192 C191 H191 107.8 . . ?
C185 C191 H191 107.8 . . ?
C191 C192 H19D 109.5 . . ?
C191 C192 H19E 109.5 . . ?
H19D C192 H19E 109.5 . . ?
C191 C192 H19F 109.5 . . ?
H19D C192 H19F 109.5 . . ?
H19E C192 H19F 109.5 . . ?
C191 C193 H19G 109.5 . . ?
C191 C193 H19H 109.5 . . ?
H19G C193 H19H 109.5 . . ?
C191 C193 H19I 109.5 . . ?
H19G C193 H19I 109.5 . . ?
H19H C193 H19I 109.5 . . ?
C196 C194 C187 114.0(14) . . ?
C196 C194 C195 114.2(14) . . ?
C187 C194 C195 109.7(15) . . ?
C196 C194 H194 106.1 . . ?
C187 C194 H194 106.1 . . ?
C195 C194 H194 106.1 . . ?
C194 C195 H19J 109.5 . . ?
C194 C195 H19K 109.5 . . ?
H19J C195 H19K 109.5 . . ?
C194 C195 H19L 109.5 . . ?
H19J C195 H19L 109.5 . . ?
H19K C195 H19L 109.5 . . ?
C194 C196 H19M 109.5 . . ?
C194 C196 H19N 109.5 . . ?
H19M C196 H19N 109.5 . . ?
C194 C196 H19O 109.5 . . ?
H19M C196 H19O 109.5 . . ?
H19N C196 H19O 109.5 . . ?
C02 C01 C01 134(5) . 2_667 ?
C02 C01 H01A 103.8 . . ?
C01 C01 H01A 103.8 2_667 . ?
C02 C01 H01B 103.8 . . ?
C01 C01 H01B 103.8 2_667 . ?
H01A C01 H01B 105.4 . . ?
C01 C02 C03 112(4) . . ?
C01 C02 H02A 109.1 . . ?
C03 C02 H02A 109.1 . . ?
C01 C02 H02B 109.1 . . ?
C03 C02 H02B 109.1 . . ?
H02A C02 H02B 107.8 . . ?
C02 C03 H03A 109.5 . . ?
C02 C03 H03B 109.5 . . ?
H03A C03 H03B 109.5 . . ?
C02 C03 H03C 109.5 . . ?
H03A C03 H03C 109.5 . . ?
H03B C03 H03C 109.5 . . ?
C04 C04 C05 110(3) 2_657 . ?
C04 C04 H04A 109.6 2_657 . ?
C05 C04 H04A 109.6 . . ?
C04 C04 H04B 109.6 2_657 . ?
C05 C04 H04B 109.6 . . ?
H04A C04 H04B 108.1 . . ?
C06 C05 C04 105(3) . . ?
C06 C05 H05A 110.8 . . ?
C04 C05 H05A 110.8 . . ?
C06 C05 H05B 110.8 . . ?
C04 C05 H05B 110.8 . . ?
H05A C05 H05B 108.9 . . ?
C05 C06 H06A 109.5 . . ?
C05 C06 H06B 109.5 . . ?
H06A C06 H06B 109.5 . . ?
C05 C06 H06C 109.5 . . ?
H06A C06 H06C 109.5 . . ?
H06B C06 H06C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 C19 2.147(19) . ?
Ir1 C20 2.160(17) . ?
Ir1 C23 2.172(17) . ?
Ir1 C16 2.193(17) . ?
Ir1 Si3 2.360(4) . ?
Ir1 Sn1 2.5794(11) . ?
Sn1 N2 2.181(13) . ?
Sn1 N1 2.200(12) . ?
Sn1 Si4 2.600(4) . ?
Sn1 C1 2.645(14) . ?
Sn1 Si3 2.946(4) . ?
Si1 Si3 2.284(6) . ?
Si1 Si4 2.292(5) . ?
Si1 Si2 2.352(5) . ?
Si1 Si6 2.374(6) . ?
Si2 C39 1.894(16) . ?
Si2 C54 1.921(14) . ?
Si2 Cl1 2.088(5) . ?
Si3 Si6 2.322(6) . ?
Si3 Si4 2.596(5) . ?
Si4 Si5 2.380(6) . ?
Si5 C84 1.937(15) . ?
Si5 C69 1.943(17) . ?
Si5 Si6 2.372(5) . ?
Si6 C24 1.882(18) . ?
N1 C1 1.324(19) . ?
N1 C8 1.508(18) . ?
N2 C1 1.338(18) . ?
N2 C12 1.50(2) . ?
C1 C2 1.50(2) . ?
C2 C7 1.35(2) . ?
C2 C3 1.40(2) . ?
C3 C4 1.38(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.32(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.29(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.44(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C11 1.50(2) . ?
C8 C9 1.52(2) . ?
C8 C10 1.59(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.49(3) . ?
C12 C15 1.50(2) . ?
C12 C13 1.52(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
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 C23 1.40(2) . ?
C16 C17 1.47(3) . ?
C16 H16 1.0000 . ?
C17 C18 1.45(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.53(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.42(2) . ?
C19 H19 1.0000 . ?
C20 C21 1.49(2) . ?
C20 H20 1.0000 . ?
C21 C22 1.53(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.54(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C24 C29 1.40(2) . ?
C24 C25 1.44(2) . ?
C25 C26 1.39(3) . ?
C25 C30 1.51(3) . ?
C26 C27 1.38(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.41(3) . ?
C27 C33B 1.64(4) . ?
C27 C33A 1.64(4) . ?
C28 C29 1.36(3) . ?
C28 H28 0.9500 . ?
C29 C36 1.53(3) . ?
C30 C31 1.55(3) . ?
C30 C32 1.55(2) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33A C35A 1.48(3) . ?
C33A C34A 1.48(3) . ?
C33A H33A 1.0000 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C33B C34B 1.26(7) . ?
C33B C35B 1.48(3) . ?
C33B H33B 1.0000 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36 C38 1.53(2) . ?
C36 C37 1.54(2) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.39(2) . ?
C39 C44 1.43(2) . ?
C40 C41 1.38(2) . ?
C40 C45 1.54(2) . ?
C41 C42 1.38(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.41(2) . ?
C42 C48 1.56(2) . ?
C43 C44 1.37(2) . ?
C43 H43 0.9500 . ?
C44 C51 1.52(2) . ?
C45 C46 1.49(2) . ?
C45 C47 1.53(2) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.502(18) . ?
C48 C50B 1.507(18) . ?
C48 C50A 1.507(18) . ?
C48 H48A 1.0000 . ?
C48 H48B 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50A H50A 0.9800 . ?
C50A H50B 0.9800 . ?
C50A H50C 0.9800 . ?
C50B H50D 0.9800 . ?
C50B H50E 0.9800 . ?
C50B H50F 0.9800 . ?
C51 C53 1.52(2) . ?
C51 C52 1.57(2) . ?
C51 H51 1.0000 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C59 1.39(2) . ?
C54 C55 1.43(2) . ?
C55 C56 1.39(2) . ?
C55 C60 1.55(2) . ?
C56 C57 1.41(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.34(2) . ?
C57 C63 1.57(2) . ?
C58 C59 1.38(2) . ?
C58 H58 0.9500 . ?
C59 C66 1.54(2) . ?
C60 C62 1.47(2) . ?
C60 C61 1.55(2) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C65 1.40(3) . ?
C63 C64 1.51(2) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C68 1.48(2) . ?
C66 C67 1.52(2) . ?
C66 H66 1.0000 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.39(2) . ?
C69 C74 1.40(2) . ?
C70 C71 1.38(3) . ?
C70 C75 1.50(2) . ?
C71 C72 1.36(3) . ?
C71 H71 0.9500 . ?
C72 C73 1.41(3) . ?
C72 C78 1.47(3) . ?
C73 C74 1.39(2) . ?
C73 H73 0.9500 . ?
C74 C81 1.51(2) . ?
C75 C77 1.52(3) . ?
C75 C76 1.53(2) . ?
C75 H75 1.0000 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C79 1.472(12) . ?
C78 C80 1.473(12) . ?
C78 H78 1.0000 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C83 1.52(2) . ?
C81 C82 1.56(2) . ?
C81 H81 1.0000 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.41(2) . ?
C84 C89 1.41(2) . ?
C85 C86 1.39(2) . ?
C85 C90 1.53(2) . ?
C86 C87 1.40(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.36(2) . ?
C87 C93 1.52(2) . ?
C88 C89 1.41(2) . ?
C88 H88 0.9500 . ?
C89 C96 1.54(2) . ?
C90 C91 1.50(2) . ?
C90 C92 1.53(2) . ?
C90 H90 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C95 1.45(3) . ?
C93 C94 1.49(3) . ?
C93 H93 1.0000 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C98 1.50(2) . ?
C96 C97 1.59(2) . ?
C96 H96 1.0000 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
Ir2 C121 2.109(16) . ?
Ir2 C118 2.169(19) . ?
Ir2 C114 2.173(15) . ?
Ir2 C117 2.20(2) . ?
Ir2 Si9 2.331(4) . ?
Ir2 Sn2 2.5777(11) . ?
Sn2 N3 2.158(13) . ?
Sn2 N4 2.187(12) . ?
Sn2 Si10 2.597(4) . ?
Sn2 C99 2.626(15) . ?
Sn2 Si9 2.927(4) . ?
Si7 Si10 2.299(5) . ?
Si7 Si9 2.318(6) . ?
Si7 Si8 2.354(5) . ?
Si7 Si12 2.368(6) . ?
Si8 C137 1.876(15) . ?
Si8 C152 1.912(14) . ?
Si8 Cl2 2.086(5) . ?
Si9 Si12 2.344(6) . ?
Si9 Si10 2.597(5) . ?
Si10 Si11 2.375(6) . ?
Si11 C167 1.928(16) . ?
Si11 C182 1.931(15) . ?
Si11 Si12 2.370(5) . ?
Si12 C122 1.896(17) . ?
N3 C99 1.303(18) . ?
N3 C106 1.48(2) . ?
N4 C99 1.35(2) . ?
N4 C110 1.46(2) . ?
C99 C100 1.50(2) . ?
C100 C105 1.37(2) . ?
C100 C101 1.41(2) . ?
C101 C102 1.39(2) . ?
C101 H101 0.9500 . ?
C102 C103 1.36(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.41(2) . ?
C103 H103 0.9500 . ?
C104 C105 1.40(2) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C108 1.53(3) . ?
C106 C109 1.54(2) . ?
C106 C107 1.54(3) . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C109 H10K 0.9800 . ?
C109 H10L 0.9800 . ?
C110 C113 1.49(2) . ?
C110 C112 1.52(2) . ?
C110 C111 1.53(2) . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C113 H11J 0.9800 . ?
C113 H11K 0.9800 . ?
C113 H11L 0.9800 . ?
C114 C121 1.38(2) . ?
C114 C115 1.48(3) . ?
C114 H114 1.0000 . ?
C115 C116 1.54(3) . ?
C115 H11M 0.9900 . ?
C115 H11N 0.9900 . ?
C116 C117 1.47(3) . ?
C116 H11O 0.9900 . ?
C116 H11P 0.9900 . ?
C117 C118 1.39(3) . ?
C117 H117 1.0000 . ?
C118 C119 1.48(3) . ?
C118 H118 1.0000 . ?
C119 C120 1.49(3) . ?
C119 H11Q 0.9900 . ?
C119 H11R 0.9900 . ?
C120 C121 1.53(2) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 H121 1.0000 . ?
C122 C127 1.41(2) . ?
C122 C123 1.42(2) . ?
C123 C124 1.41(3) . ?
C123 C128 1.48(2) . ?
C124 C125 1.35(3) . ?
C124 H124 0.9500 . ?
C125 C126 1.40(3) . ?
C125 C131 1.54(3) . ?
C126 C127 1.40(3) . ?
C126 H126 0.9500 . ?
C127 C134 1.53(2) . ?
C128 C129 1.50(2) . ?
C128 C130 1.54(2) . ?
C128 H128 1.0000 . ?
C129 H12C 0.9800 . ?
C129 H12D 0.9800 . ?
C129 H12E 0.9800 . ?
C130 H13D 0.9800 . ?
C130 H13E 0.9800 . ?
C130 H13F 0.9800 . ?
C131 C132 1.42(3) . ?
C131 C133 1.49(3) . ?
C131 H131 1.0000 . ?
C132 H13G 0.9800 . ?
C132 H13H 0.9800 . ?
C132 H13I 0.9800 . ?
C133 H13J 0.9800 . ?
C133 H13K 0.9800 . ?
C133 H13L 0.9800 . ?
C134 C136 1.49(3) . ?
C134 C135 1.52(2) . ?
C134 H134 1.0000 . ?
C135 H13R 0.9800 . ?
C135 H13M 0.9800 . ?
C135 H13N 0.9800 . ?
C136 H13O 0.9800 . ?
C136 H13P 0.9800 . ?
C136 H13Q 0.9800 . ?
C137 C138 1.417(19) . ?
C137 C142 1.45(2) . ?
C138 C139 1.39(2) . ?
C138 C143 1.48(2) . ?
C139 C140 1.41(2) . ?
C139 H139 0.9500 . ?
C140 C141 1.38(2) . ?
C140 C146 1.49(2) . ?
C141 C142 1.42(2) . ?
C141 H141 0.9500 . ?
C142 C149 1.55(2) . ?
C143 C144 1.53(2) . ?
C143 C145 1.57(2) . ?
C143 H143 1.0000 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 H14G 0.9800 . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C146 C148 1.49(3) . ?
C146 C147 1.52(3) . ?
C146 H146 1.0000 . ?
C147 H14J 0.9800 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C148 H14M 0.9800 . ?
C148 H14N 0.9800 . ?
C148 H14O 0.9800 . ?
C149 C150 1.52(2) . ?
C149 C151 1.528(19) . ?
C149 H149 1.0000 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C151 H15G 0.9800 . ?
C151 H15H 0.9800 . ?
C151 H15I 0.9800 . ?
C152 C157 1.41(2) . ?
C152 C153 1.43(2) . ?
C153 C154 1.39(2) . ?
C153 C158 1.49(2) . ?
C154 C155 1.39(2) . ?
C154 H154 0.9500 . ?
C155 C156 1.35(2) . ?
C155 C161 1.51(2) . ?
C156 C157 1.40(2) . ?
C156 H156 0.9500 . ?
C157 C164 1.52(2) . ?
C158 C159 1.477(11) . ?
C158 C160 1.480(11) . ?
C158 H158 1.0000 . ?
C159 H15J 0.9800 . ?
C159 H15K 0.9800 . ?
C159 H15L 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 C163 1.45(2) . ?
C161 C162 1.51(2) . ?
C161 H161 1.0000 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 H16G 0.9800 . ?
C163 H16H 0.9800 . ?
C163 H16I 0.9800 . ?
C164 C165 1.54(2) . ?
C164 C166 1.55(2) . ?
C164 H164 1.0000 . ?
C165 H16J 0.9800 . ?
C165 H16K 0.9800 . ?
C165 H16L 0.9800 . ?
C166 H16M 0.9800 . ?
C166 H16N 0.9800 . ?
C166 H16O 0.9800 . ?
C167 C172 1.44(2) . ?
C167 C168 1.44(2) . ?
C168 C169 1.36(2) . ?
C168 C173 1.48(2) . ?
C169 C170 1.36(3) . ?
C169 H169 0.9500 . ?
C170 C171 1.36(3) . ?
C170 C176 1.55(3) . ?
C171 C172 1.39(2) . ?
C171 H171 0.9500 . ?
C172 C179 1.54(2) . ?
C173 C175 1.53(2) . ?
C173 C174 1.54(2) . ?
C173 H173 1.0000 . ?
C174 H17C 0.9800 . ?
C174 H17D 0.9800 . ?
C174 H17E 0.9800 . ?
C175 H17G 0.9800 . ?
C175 H17H 0.9800 . ?
C175 H17F 0.9800 . ?
C176 C178 1.40(3) . ?
C176 C177 1.49(3) . ?
C176 H176 1.0000 . ?
C177 H17J 0.9800 . ?
C177 H17K 0.9800 . ?
C177 H17I 0.9800 . ?
C178 H17M 0.9800 . ?
C178 H17N 0.9800 . ?
C178 H17L 0.9800 . ?
C179 C180 1.51(2) . ?
C179 C181 1.51(2) . ?
C179 H179 1.0000 . ?
C180 H18C 0.9800 . ?
C180 H18D 0.9800 . ?
C180 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C181 H18G 0.9800 . ?
C181 H18H 0.9800 . ?
C182 C183 1.39(2) . ?
C182 C187 1.43(2) . ?
C183 C184 1.40(2) . ?
C183 C188 1.51(2) . ?
C184 C185 1.40(2) . ?
C184 H184 0.9500 . ?
C185 C186 1.37(2) . ?
C185 C191 1.54(2) . ?
C186 C187 1.42(2) . ?
C186 H186 0.9500 . ?
C187 C194 1.54(2) . ?
C188 C190 1.52(2) . ?
C188 C189 1.53(2) . ?
C188 H188 1.0000 . ?
C189 H18I 0.9800 . ?
C189 H18J 0.9800 . ?
C189 H18K 0.9800 . ?
C190 H19A 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C191 C193 1.477(12) . ?
C191 C192 1.477(12) . ?
C191 H191 1.0000 . ?
C192 H19D 0.9800 . ?
C192 H19E 0.9800 . ?
C192 H19F 0.9800 . ?
C193 H19G 0.9800 . ?
C193 H19H 0.9800 . ?
C193 H19I 0.9800 . ?
C194 C196 1.53(2) . ?
C194 C195 1.55(2) . ?
C194 H194 1.0000 . ?
C195 H19J 0.9800 . ?
C195 H19K 0.9800 . ?
C195 H19L 0.9800 . ?
C196 H19M 0.9800 . ?
C196 H19N 0.9800 . ?
C196 H19O 0.9800 . ?
C01 C02 1.44(5) . ?
C01 C01 1.52(7) 2_667 ?
C01 H01A 0.9900 . ?
C01 H01B 0.9900 . ?
C02 C03 1.49(5) . ?
C02 H02A 0.9900 . ?
C02 H02B 0.9900 . ?
C03 H03A 0.9800 . ?
C03 H03B 0.9800 . ?
C03 H03C 0.9800 . ?
C04 C04 1.53(6) 2_657 ?
C04 C05 1.54(4) . ?
C04 H04A 0.9900 . ?
C04 H04B 0.9900 . ?
C05 C06 1.51(4) . ?
C05 H05A 0.9900 . ?
C05 H05B 0.9900 . ?
C06 H06A 0.9800 . ?
C06 H06B 0.9800 . ?
C06 H06C 0.9800 . ?
