# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_jfk_1_284a_2ndcrystal_0m
_database_code_depnum_ccdc_archive 'CCDC 1963929'
loop_
_audit_author_name
_audit_author_address
'Jason F. Khoury'
;Northwestern University
United States of America
;
_audit_update_record             
;
2019-11-05 deposited with the CCDC.	2019-12-02 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_jfk_1_284a_2ndcrystal_0m 
;
PROBLEM: Check Calcd Positive Resid. Density on      In10       2.11 eA-3
RESPONSE: TheThe Q peak of 2.11 eA-3 is negligible compared to the electron density of indium. There also tend to be absorption correction issues in structures with a lot of heavy elements such as iridium and indium.
;
_vrf_PLAT974_jfk_1_284a_2ndcrystal_0m 
;
PROBLEM: Check Calcd Negative Resid. Density on       In9      -2.38 eA-3
RESPONSE: The Q peak of -2.38 eA-3 is negligible compared to the electron density of indium. There also tend to be absorption correction issues in structures with a lot of heavy elements such as iridium and indium.
;
# Added during the CSD deposition process: Tuesday 05 November 2019 10:11 PM
# end Validation Reply Form

_audit_creation_date             2019-11-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(In32 Ir6 S21)'
_chemical_formula_sum            'In8 Ir1.50 S5.25'
_chemical_formula_weight         1375.18
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In In -0.7276 1.3100 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           157
_space_group_name_H-M_alt        'P 3 1 m'
_space_group_name_Hall           'P 3 -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'

_cell_length_a                   13.9378(12)
_cell_length_b                   13.9378(12)
_cell_length_c                   8.2316(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1384.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9685
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      35.72
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.384
_shelx_estimated_absorpt_T_min   0.240
_exptl_absorpt_coefficient_mu    28.157
_exptl_absorpt_correction_T_max  0.383
_exptl_absorpt_correction_T_min  0.239
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    6.596
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Cube
_exptl_crystal_F_000             2366
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.071
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.042
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0369
_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       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            28580
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         1.687
_diffrn_ambient_temperature      298.94
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.958
_reflns_Friedel_fraction_full    0.961
_reflns_Friedel_fraction_max     0.969
_reflns_number_gt                2690
_reflns_number_total             2843
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.217
_refine_diff_density_min         -3.404
_refine_diff_density_rms         0.297
_refine_ls_abs_structure_details 
;
 Flack x determined using 1194 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.037(5)
_refine_ls_extinction_coef       0.00012(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         2843
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0258
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0196P)²+12.0180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0704
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(In8) = Uanis(In9)
2. Others
 Fixed Sof: In4(0.475) In6(0.31667) In8(0.4) In9(0.1) In10(0.04167)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.0000 0.33418(3) 0.91104(6) 0.00479(15) Uani 1 2 d S T P . .
Ir2 Ir 0.3333 0.6667 0.63828(8) 0.00481(16) Uani 1 3 d S T P . .
Ir3 Ir 0.0000 1.0000 0.64697(11) 0.0060(2) Uani 1 6 d S T P . .
In1 In 0.18311(8) 0.84940(8) 0.10124(12) 0.0161(2) Uani 1 1 d . . . . .
In2 In 0.0000 0.47874(9) 0.11366(16) 0.0179(3) Uani 1 2 d S T P . .
In3 In 0.33043(6) 0.48043(6) 0.56990(14) 0.01366(17) Uani 1 1 d . . . . .
In4 In 0.0000 0.33463(7) 0.59051(17) 0.0106(3) Uani 0.95 2 d S T P . .
In5 In 0.18302(7) 0.52241(7) 0.83731(12) 0.01833(19) Uani 1 1 d . . . . .
In6 In 0.3333 0.6667 0.3142(2) 0.0122(3) Uani 0.95 3 d S T P . .
In7 In 0.14975(9) 1.0000 0.82361(16) 0.0228(3) Uani 1 2 d S T P . .
In8 In 0.0000 0.85589(11) 0.4552(2) 0.0180(3) Uani 0.8 2 d S T P . .
S1 S 0.1554(2) 0.33701(19) 0.4176(4) 0.0108(6) Uani 1 1 d . . . . .
S2 S 0.0000 0.4921(3) 0.4207(5) 0.0112(7) Uani 1 2 d S T P . .
S3 S 0.1838(3) 0.6644(2) 0.1072(4) 0.0122(6) Uani 1 1 d . . . . .
S4 S 0.0000 0.8428(3) 0.1261(6) 0.0186(9) Uani 1 2 d S T P . .
S5 S 0.3410(4) 0.3410(4) 0.7525(8) 0.0263(12) Uani 1 2 d S T P . .
In9 In 0.0000 0.8236(4) 0.5440(9) 0.0180(3) Uani 0.2 2 d S T P . .
In10 In 0.0000 1.0000 0.290(5) 0.142(13) Uani 0.25 6 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 In1 2.6212(10) 2_666 ?
Ir1 In1 2.6212(10) 4_456 ?
Ir1 In2 2.6155(12) 1_556 ?
Ir1 In4 2.6385(15) . ?
Ir1 In5 2.6581(10) . ?
Ir1 In5 2.6581(9) 6 ?
Ir1 In7 2.6694(13) 2_665 ?
Ir2 In3 2.6365(8) 3_565 ?
Ir2 In3 2.6366(8) . ?
Ir2 In3 2.6365(8) 2_665 ?
Ir2 In5 2.6275(10) 2_665 ?
Ir2 In5 2.6275(10) . ?
Ir2 In5 2.6275(10) 3_565 ?
Ir2 In6 2.6674(18) . ?
Ir3 In7 2.5437(13) 3_465 ?
Ir3 In7 2.5437(13) . ?
Ir3 In7 2.5437(13) 2_675 ?
Ir3 In8 2.5546(17) 3_465 ?
Ir3 In8 2.5546(17) 2_675 ?
Ir3 In8 2.5546(17) . ?
Ir3 In9 2.600(6) . ?
Ir3 In9 2.600(6) 2_675 ?
Ir3 In9 2.600(6) 3_465 ?
Ir3 In10 2.94(4) . ?
In1 Ir1 2.6213(10) 3_564 ?
In1 In5 3.2639(12) 3_564 ?
In1 In7 3.2896(13) 1_554 ?
In1 S1 2.605(3) 3_565 ?
In1 S3 2.584(3) . ?
In1 S4 2.516(2) . ?
In2 Ir1 2.6155(12) 1_554 ?
In2 In5 3.2403(13) 1_554 ?
In2 In5 3.2403(13) 6_554 ?
In2 S2 2.534(4) . ?
In2 S3 2.576(3) 6 ?
In2 S3 2.576(3) . ?
In3 In5 3.2576(12) . ?
In3 In5 3.1950(13) 2_665 ?
In3 In6 3.3262(14) . ?
In3 S1 2.577(3) . ?
In3 S2 2.613(3) 2_665 ?
In3 S5 2.519(4) . ?
In4 In5 3.2876(14) . ?
In4 In5 3.2876(14) 6 ?
In4 In7 3.2126(18) 2_665 ?
In4 S1 2.578(3) . ?
In4 S1 2.578(3) 6 ?
In4 S2 2.602(4) . ?
In5 In1 3.2639(12) 2_666 ?
In5 In2 3.2402(13) 1_556 ?
In5 In3 3.1950(13) 3_565 ?
In6 In3 3.3262(14) 2_665 ?
In6 In3 3.3262(14) 3_565 ?
In6 S3 2.680(3) 2_665 ?
In6 S3 2.680(3) 3_565 ?
In6 S3 2.680(3) . ?
In7 Ir1 2.6694(13) 3_565 ?
In7 In1 3.2895(13) 5_676 ?
In7 In1 3.2895(13) 1_556 ?
In7 In4 3.2127(18) 3_565 ?
In7 In9 3.250(5) 2_675 ?
In7 In9 3.250(5) . ?
In8 S1 2.632(3) 5_565 ?
In8 S1 2.632(3) 3_565 ?
In8 S4 2.715(5) . ?
In8 In9 0.858(8) . ?
In8 In10 2.43(2) . ?
S1 In1 2.605(3) 2_665 ?
S1 In8 2.632(3) 2_665 ?
S1 In9 2.614(4) 2_665 ?
S2 In3 2.613(3) 5_565 ?
S2 In3 2.613(3) 3_565 ?
S4 In1 2.516(2) 6 ?
S4 In10 2.57(2) . ?
S5 In3 2.519(4) 4 ?
S5 In9 2.865(10) 2_665 ?
In9 In7 3.250(5) 3_465 ?
In9 S1 2.614(4) 3_565 ?
In9 S1 2.614(4) 5_565 ?
In9 S5 2.865(10) 3_565 ?
In9 In10 3.23(3) . ?
In10 In8 2.43(2) 2_675 ?
In10 In8 2.43(2) 3_465 ?
In10 S4 2.57(2) 3_465 ?
In10 S4 2.57(2) 2_675 ?
In10 In9 3.23(3) 2_675 ?
In10 In9 3.23(3) 3_465 ?

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
In1 Ir1 In1 87.81(4) 2_666 4_456 ?
In1 Ir1 In4 126.74(3) 2_666 . ?
In1 Ir1 In4 126.74(3) 4_456 . ?
In1 Ir1 In5 156.50(4) 2_666 6 ?
In1 Ir1 In5 76.37(3) 4_456 6 ?
In1 Ir1 In5 76.37(3) 2_666 . ?
In1 Ir1 In5 156.50(4) 4_456 . ?
In1 Ir1 In7 76.88(3) 4_456 2_665 ?
In1 Ir1 In7 76.88(3) 2_666 2_665 ?
In2 Ir1 In1 85.96(4) 1_556 4_456 ?
In2 Ir1 In1 85.96(4) 1_556 2_666 ?
In2 Ir1 In4 129.49(4) 1_556 . ?
In2 Ir1 In5 75.82(3) 1_556 6 ?
In2 Ir1 In5 75.81(3) 1_556 . ?
In2 Ir1 In7 156.02(5) 1_556 2_665 ?
In4 Ir1 In5 76.73(3) . . ?
In4 Ir1 In5 76.73(3) . 6 ?
In4 Ir1 In7 74.49(4) . 2_665 ?
In5 Ir1 In5 112.42(4) 6 . ?
In5 Ir1 In7 115.26(3) . 2_665 ?
In5 Ir1 In7 115.26(3) 6 2_665 ?
In3 Ir2 In3 115.57(2) 3_565 2_665 ?
In3 Ir2 In3 115.57(2) 2_665 . ?
In3 Ir2 In3 115.57(2) 3_565 . ?
In3 Ir2 In6 77.67(3) . . ?
In3 Ir2 In6 77.67(3) 3_565 . ?
In3 Ir2 In6 77.67(3) 2_665 . ?
In5 Ir2 In3 76.46(3) 2_665 2_665 ?
In5 Ir2 In3 153.73(5) 3_565 . ?
In5 Ir2 In3 74.74(3) 3_565 2_665 ?
In5 Ir2 In3 76.46(3) . . ?
In5 Ir2 In3 74.74(3) . 3_565 ?
In5 Ir2 In3 74.74(3) 2_665 . ?
In5 Ir2 In3 153.73(5) . 2_665 ?
In5 Ir2 In3 153.73(5) 2_665 3_565 ?
In5 Ir2 In3 76.46(3) 3_565 3_565 ?
In5 Ir2 In5 85.23(4) . 2_665 ?
In5 Ir2 In5 85.23(4) 3_565 2_665 ?
In5 Ir2 In5 85.23(4) 3_565 . ?
In5 Ir2 In6 128.58(3) 3_565 . ?
In5 Ir2 In6 128.58(3) 2_665 . ?
In5 Ir2 In6 128.58(3) . . ?
In7 Ir3 In7 90.57(5) 2_675 . ?
In7 Ir3 In7 90.57(5) 3_465 . ?
In7 Ir3 In7 90.57(5) 2_675 3_465 ?
In7 Ir3 In8 91.75(4) 3_465 . ?
In7 Ir3 In8 91.75(4) . 2_675 ?
In7 Ir3 In8 91.75(4) . . ?
In7 Ir3 In8 176.70(6) . 3_465 ?
In7 Ir3 In8 176.70(6) 2_675 . ?
In7 Ir3 In8 91.75(4) 2_675 3_465 ?
In7 Ir3 In8 91.75(4) 3_465 3_465 ?
In7 Ir3 In8 91.75(4) 2_675 2_675 ?
In7 Ir3 In8 176.70(6) 3_465 2_675 ?
In7 Ir3 In9 164.16(18) 2_675 . ?
In7 Ir3 In9 78.37(12) 2_675 2_675 ?
In7 Ir3 In9 78.37(12) . 2_675 ?
In7 Ir3 In9 78.37(12) 3_465 3_465 ?
In7 Ir3 In9 78.37(12) . . ?
In7 Ir3 In9 164.16(18) 3_465 2_675 ?
In7 Ir3 In9 78.37(12) 2_675 3_465 ?
In7 Ir3 In9 78.37(12) 3_465 . ?
In7 Ir3 In9 164.16(18) . 3_465 ?
In7 Ir3 In10 124.86(4) . . ?
In7 Ir3 In10 124.86(3) 2_675 . ?
In7 Ir3 In10 124.86(4) 3_465 . ?
In8 Ir3 In8 85.83(7) . 2_675 ?
In8 Ir3 In8 85.83(7) . 3_465 ?
In8 Ir3 In8 85.83(7) 3_465 2_675 ?
In8 Ir3 In9 19.14(18) . . ?
In8 Ir3 In9 99.81(13) . 2_675 ?
In8 Ir3 In9 99.81(13) . 3_465 ?
In8 Ir3 In9 19.14(18) 2_675 2_675 ?
In8 Ir3 In9 19.14(18) 3_465 3_465 ?
In8 Ir3 In9 99.81(13) 2_675 . ?
In8 Ir3 In9 99.81(13) 3_465 2_675 ?
In8 Ir3 In9 99.81(13) 2_675 3_465 ?
In8 Ir3 In9 99.81(13) 3_465 . ?
In8 Ir3 In10 51.84(5) 3_465 . ?
In8 Ir3 In10 51.84(5) 2_675 . ?
In8 Ir3 In10 51.84(5) . . ?
In9 Ir3 In9 109.92(17) 3_465 2_675 ?
In9 Ir3 In9 109.92(17) . 2_675 ?
In9 Ir3 In9 109.92(17) . 3_465 ?
In9 Ir3 In10 70.98(17) . . ?
In9 Ir3 In10 70.98(17) 3_465 . ?
In9 Ir3 In10 70.98(17) 2_675 . ?
Ir1 In1 In5 52.32(2) 3_564 3_564 ?
Ir1 In1 In7 52.22(3) 3_564 1_554 ?
In5 In1 In7 86.73(4) 3_564 1_554 ?
S1 In1 Ir1 127.64(8) 3_565 3_564 ?
S1 In1 In5 131.25(6) 3_565 3_564 ?
S1 In1 In7 135.16(6) 3_565 1_554 ?
S3 In1 Ir1 114.08(8) . 3_564 ?
S3 In1 In5 62.52(8) . 3_564 ?
S3 In1 In7 136.23(8) . 1_554 ?
S3 In1 S1 87.68(10) . 3_565 ?
S4 In1 Ir1 118.17(11) . 3_564 ?
S4 In1 In5 141.65(11) . 3_564 ?
S4 In1 In7 67.39(11) . 1_554 ?
S4 In1 S1 85.56(12) . 3_565 ?
S4 In1 S3 118.16(15) . . ?
Ir1 In2 In5 52.69(3) 1_554 1_554 ?
Ir1 In2 In5 52.69(3) 1_554 6_554 ?
In5 In2 In5 85.96(5) 6_554 1_554 ?
S2 In2 Ir1 133.83(10) . 1_554 ?
S2 In2 In5 135.66(3) . 6_554 ?
S2 In2 In5 135.66(3) . 1_554 ?
S2 In2 S3 89.05(9) . . ?
S2 In2 S3 89.05(9) . 6 ?
S3 In2 Ir1 112.18(8) . 1_554 ?
S3 In2 Ir1 112.19(8) 6 1_554 ?
S3 In2 In5 132.62(9) . 6_554 ?
S3 In2 In5 60.17(8) 6 6_554 ?
S3 In2 In5 132.62(9) 6 1_554 ?
S3 In2 In5 60.17(8) . 1_554 ?
S3 In2 S3 118.97(16) 6 . ?
Ir2 In3 In5 51.64(3) . . ?
Ir2 In3 In5 52.50(3) . 2_665 ?
Ir2 In3 In6 51.58(3) . . ?
In5 In3 In5 66.92(4) 2_665 . ?
In5 In3 In6 94.01(3) 2_665 . ?
In5 In3 In6 92.87(3) . . ?
S1 In3 Ir2 114.21(7) . . ?
S1 In3 In5 158.67(8) . 2_665 ?
S1 In3 In5 91.75(8) . . ?
S1 In3 In6 86.27(7) . . ?
S1 In3 S2 110.16(13) . 2_665 ?
S2 In3 Ir2 114.12(8) 2_665 . ?
S2 In3 In5 91.15(10) 2_665 2_665 ?
S2 In3 In5 158.01(10) 2_665 . ?
S2 In3 In6 86.96(7) 2_665 . ?
S5 In3 Ir2 130.86(14) . . ?
S5 In3 In5 86.17(15) . 2_665 ?
S5 In3 In5 91.19(10) . . ?
S5 In3 In6 175.67(9) . . ?
S5 In3 S1 95.13(15) . . ?
S5 In3 S2 88.71(10) . 2_665 ?
Ir1 In4 In5 51.90(3) . 6 ?
Ir1 In4 In5 51.90(3) . . ?
Ir1 In4 In7 53.19(3) . 2_665 ?
In5 In4 In5 84.44(4) . 6 ?
In7 In4 In5 87.61(4) 2_665 6 ?
In7 In4 In5 87.61(4) 2_665 . ?
S1 In4 Ir1 123.44(7) . . ?
S1 In4 Ir1 123.44(7) 6 . ?
S1 In4 In5 175.05(8) 6 . ?
S1 In4 In5 175.05(8) . 6 ?
S1 In4 In5 91.05(6) 6 6 ?
S1 In4 In5 91.05(6) . . ?
S1 In4 In7 90.18(7) 6 2_665 ?
S1 In4 In7 90.18(7) . 2_665 ?
S1 In4 S1 93.38(13) . 6 ?
S1 In4 S2 92.69(10) . . ?
S1 In4 S2 92.69(10) 6 . ?
S2 In4 Ir1 122.63(10) . . ?
S2 In4 In5 89.30(7) . 6 ?
S2 In4 In5 89.30(7) . . ?
S2 In4 In7 175.83(10) . 2_665 ?
Ir1 In5 In1 51.31(2) . 2_666 ?
Ir1 In5 In2 51.50(3) . 1_556 ?
Ir1 In5 In3 114.56(4) . 3_565 ?
Ir1 In5 In3 110.93(4) . . ?
Ir1 In5 In4 51.37(3) . . ?
Ir2 In5 Ir1 154.44(5) . . ?
Ir2 In5 In1 140.16(4) . 2_666 ?
Ir2 In5 In2 146.42(4) . 1_556 ?
Ir2 In5 In3 52.76(2) . 3_565 ?
Ir2 In5 In3 51.89(2) . . ?
Ir2 In5 In4 103.20(4) . . ?
In1 In5 In4 91.73(3) 2_666 . ?
In2 In5 In1 66.58(4) 1_556 2_666 ?
In2 In5 In3 161.56(4) 1_556 . ?
In2 In5 In4 93.42(3) 1_556 . ?
In3 In5 In1 165.82(4) 3_565 2_666 ?
In3 In5 In1 98.67(3) . 2_666 ?
In3 In5 In2 104.58(4) 3_565 1_556 ?
In3 In5 In3 87.48(4) 3_565 . ?
In3 In5 In4 75.37(3) . . ?
In3 In5 In4 77.40(3) 3_565 . ?
Ir2 In6 In3 50.75(3) . . ?
Ir2 In6 In3 50.75(3) . 2_665 ?
Ir2 In6 In3 50.75(3) . 3_565 ?
Ir2 In6 S3 129.49(8) . 3_565 ?
Ir2 In6 S3 129.49(8) . 2_665 ?
Ir2 In6 S3 129.49(8) . . ?
In3 In6 In3 84.23(4) 3_565 2_665 ?
In3 In6 In3 84.23(4) 3_565 . ?
In3 In6 In3 84.23(4) 2_665 . ?
S3 In6 In3 133.42(6) 3_565 3_565 ?
S3 In6 In3 135.64(6) . 2_665 ?
S3 In6 In3 78.76(8) 2_665 . ?
S3 In6 In3 78.76(8) 3_565 2_665 ?
S3 In6 In3 133.42(6) . . ?
S3 In6 In3 135.64(6) 2_665 3_565 ?
S3 In6 In3 78.76(8) . 3_565 ?
S3 In6 In3 135.64(6) 3_565 . ?
S3 In6 In3 133.42(6) 2_665 2_665 ?
S3 In6 S3 83.87(12) . 3_565 ?
S3 In6 S3 83.87(12) 3_565 2_665 ?
S3 In6 S3 83.87(12) . 2_665 ?
Ir1 In7 In1 50.90(3) 3_565 5_676 ?
Ir1 In7 In1 50.90(3) 3_565 1_556 ?
Ir1 In7 In4 52.32(3) 3_565 3_565 ?
Ir1 In7 In9 116.43(9) 3_565 2_675 ?
Ir1 In7 In9 116.43(9) 3_565 . ?
Ir3 In7 Ir1 160.78(6) . 3_565 ?
Ir3 In7 In1 140.79(3) . 1_556 ?
Ir3 In7 In1 140.79(3) . 5_676 ?
Ir3 In7 In4 108.47(5) . 3_565 ?
Ir3 In7 In9 51.59(11) . . ?
Ir3 In7 In9 51.59(11) . 2_675 ?
In1 In7 In1 67.09(5) 5_676 1_556 ?
In4 In7 In1 92.62(4) 3_565 5_676 ?
In4 In7 In1 92.62(4) 3_565 1_556 ?
In4 In7 In9 77.81(7) 3_565 2_675 ?
In4 In7 In9 77.81(7) 3_565 . ?
In9 In7 In1 167.26(10) . 5_676 ?
In9 In7 In1 104.56(13) 2_675 5_676 ?
In9 In7 In1 104.56(13) . 1_556 ?
In9 In7 In1 167.26(10) 2_675 1_556 ?
In9 In7 In9 81.8(3) . 2_675 ?
Ir3 In8 S1 119.86(8) . 5_565 ?
Ir3 In8 S1 119.86(8) . 3_565 ?
Ir3 In8 S4 132.02(12) . . ?
S1 In8 S1 112.80(14) 3_565 5_565 ?
S1 In8 S4 81.16(10) 3_565 . ?
S1 In8 S4 81.16(10) 5_565 . ?
In9 In8 Ir3 83.4(4) . . ?
In9 In8 S1 79.4(2) . 3_565 ?
In9 In8 S1 79.4(2) . 5_565 ?
In9 In8 S4 144.5(4) . . ?
In9 In8 In10 155.7(10) . . ?
In10 In8 Ir3 72.3(8) . . ?
In10 In8 S1 112.4(4) . 3_565 ?
In10 In8 S1 112.4(4) . 5_565 ?
In10 In8 S4 59.7(8) . . ?
In1 S1 In8 96.42(10) 2_665 2_665 ?
In1 S1 In9 113.32(19) 2_665 2_665 ?
In3 S1 In1 120.40(11) . 2_665 ?
In3 S1 In4 101.82(10) . . ?
In3 S1 In8 106.57(12) . 2_665 ?
In3 S1 In9 90.16(19) . 2_665 ?
In4 S1 In1 122.52(12) . 2_665 ?
In4 S1 In8 107.53(10) . 2_665 ?
In4 S1 In9 102.84(15) . 2_665 ?
In9 S1 In8 18.83(17) 2_665 2_665 ?
In2 S2 In3 120.59(11) . 5_565 ?
In2 S2 In3 120.59(11) . 3_565 ?
In2 S2 In4 118.29(15) . . ?
In3 S2 In3 87.72(12) 3_565 5_565 ?
In4 S2 In3 102.03(12) . 5_565 ?
In4 S2 In3 102.03(12) . 3_565 ?
In1 S3 In6 113.03(11) . . ?
In2 S3 In1 120.31(15) . . ?
In2 S3 In6 112.06(11) . . ?
In1 S4 In1 122.9(2) . 6 ?
In1 S4 In8 96.49(12) 6 . ?
In1 S4 In8 96.49(12) . . ?
In1 S4 In10 116.33(19) . . ?
In1 S4 In10 116.33(19) 6 . ?
In10 S4 In8 54.5(8) . . ?
In3 S5 In3 91.91(17) . 4 ?
In3 S5 In9 85.88(19) . 2_665 ?
In3 S5 In9 85.88(19) 4 2_665 ?
Ir3 In9 In7 50.04(10) . . ?
Ir3 In9 In7 50.04(10) . 3_465 ?
Ir3 In9 S1 118.79(15) . 3_565 ?
Ir3 In9 S1 118.79(15) . 5_565 ?
Ir3 In9 S5 124.2(3) . 3_565 ?
Ir3 In9 In10 59.4(6) . . ?
In7 In9 In7 67.57(13) 3_465 . ?
In8 In9 Ir3 77.4(4) . . ?
In8 In9 In7 112.0(4) . . ?
In8 In9 In7 112.0(4) . 3_465 ?
In8 In9 S1 81.7(3) . 5_565 ?
In8 In9 S1 81.7(3) . 3_565 ?
In8 In9 S5 158.4(5) . 3_565 ?
In8 In9 In10 18.0(7) . . ?
S1 In9 In7 88.72(10) 3_565 . ?
S1 In9 In7 88.72(9) 5_565 3_465 ?
S1 In9 In7 155.5(2) 5_565 . ?
S1 In9 In7 155.5(2) 3_565 3_465 ?
S1 In9 S1 113.9(3) 3_565 5_565 ?
S1 In9 S5 86.58(18) 3_565 3_565 ?
S1 In9 S5 86.58(18) 5_565 3_565 ?
S1 In9 In10 91.5(4) 3_565 . ?
S1 In9 In10 91.5(4) 5_565 . ?
S5 In9 In7 85.66(19) 3_565 . ?
S5 In9 In7 85.66(19) 3_565 3_465 ?
S5 In9 In10 176.4(6) 3_565 . ?
In10 In9 In7 97.3(5) . 3_465 ?
In10 In9 In7 97.3(5) . . ?
Ir3 In10 In9 49.6(6) . . ?
Ir3 In10 In9 49.6(6) . 3_465 ?
Ir3 In10 In9 49.6(6) . 2_675 ?
In8 In10 Ir3 55.9(8) 3_465 . ?
In8 In10 Ir3 55.9(8) 2_675 . ?
In8 In10 Ir3 55.9(8) . . ?
In8 In10 In8 91.6(12) . 3_465 ?
In8 In10 In8 91.6(12) . 2_675 ?
In8 In10 In8 91.6(12) 2_675 3_465 ?
In8 In10 S4 130.28(8) . 3_465 ?
In8 In10 S4 130.28(7) 3_465 2_675 ?
In8 In10 S4 130.28(8) 2_675 . ?
In8 In10 S4 130.28(7) 2_675 3_465 ?
In8 In10 S4 130.28(7) . 2_675 ?
In8 In10 S4 65.72(12) 3_465 3_465 ?
In8 In10 S4 65.72(12) 2_675 2_675 ?
In8 In10 S4 65.72(12) . . ?
In8 In10 S4 130.28(8) 3_465 . ?
In8 In10 In9 6.3(3) . . ?
In8 In10 In9 6.3(3) 3_465 3_465 ?
In8 In10 In9 6.3(3) 2_675 2_675 ?
In8 In10 In9 87.2(10) 3_465 2_675 ?
In8 In10 In9 87.2(10) 2_675 3_465 ?
In8 In10 In9 87.2(10) . 3_465 ?
In8 In10 In9 87.2(10) 3_465 . ?
In8 In10 In9 87.2(10) 2_675 . ?
In8 In10 In9 87.2(10) . 2_675 ?
S4 In10 Ir3 121.6(8) 3_465 . ?
S4 In10 Ir3 121.6(8) 2_675 . ?
S4 In10 Ir3 121.6(8) . . ?
S4 In10 S4 95.1(11) 3_465 2_675 ?
S4 In10 S4 95.1(11) 3_465 . ?
S4 In10 S4 95.1(11) 2_675 . ?
S4 In10 In9 131.6(3) 2_675 . ?
S4 In10 In9 131.6(3) 3_465 . ?
S4 In10 In9 131.6(3) 2_675 3_465 ?
S4 In10 In9 131.6(3) . 2_675 ?
S4 In10 In9 72.0(3) 2_675 2_675 ?
S4 In10 In9 131.6(3) . 3_465 ?
S4 In10 In9 72.0(3) . . ?
S4 In10 In9 131.6(3) 3_465 2_675 ?
S4 In10 In9 72.0(3) 3_465 3_465 ?
In9 In10 In9 82.5(9) 2_675 3_465 ?
In9 In10 In9 82.5(9) . 3_465 ?
In9 In10 In9 82.5(9) . 2_675 ?

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