#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:09:07 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261644 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/60/7706019.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_7706019
loop_
_publ_author_name
'Vinogradov, Mikhail M.'
'Nesterov, Ivan D.'
'Nelyubina, Yulia V.'
'Pavlov, Alexander A.'
_publ_section_title
;
 Pathway bifurcations in the cage rearrangement of metallacarboranes:
 experimental and computational evidence.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              287
_journal_page_last               293
_journal_paper_doi               10.1039/d0dt03538f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C15 H32 B9 Ir S'
_chemical_formula_sum            'C15 H32 B9 Ir S'
_chemical_formula_weight         533.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-09-22
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2020-09-22 deposited with the CCDC.	2020-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.389(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.9917(14)
_cell_length_b                   14.5337(12)
_cell_length_c                   16.3704(13)
_cell_measurement_reflns_used    9849
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.43
_cell_volume                     3988.5(6)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      120
_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_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            63723
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.215
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.796
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
 TWINABS-2008/2 (Bruker,2010) was used for absorption correction.

Final HKLF 4 output contains 138199 reflections, Rint = 0.0490
 (44950 with I > 3sig(I), Rint = 0.0359)
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_description       prism
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.216
_exptl_crystal_size_min          0.186
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         7844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0166
_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)+(0.0172P)²+5.1696P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0374
_refine_ls_wR_factor_ref         0.0399
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6862
_reflns_number_total             7844
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03538f2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7706017--7706019.cif.'
_cod_database_code               7706019
_shelxl_version_number           2014/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 B3(H3), B5(H5), B6(H6), B7(H7), B9(H9), B10(H10), B11(H11), B12(H12),
 B3A(H3A), B5A(H5A), B6A(H6A), B7A(H7A), B9A(H9A), B10A(H10A), B11A(H11A),
 B12A(H12A)
2.b Ternary CH refined with riding coordinates:
 C18(H18), C19(H19), C22(H22), C23(H23), C19A(H19A), C22A(H22A), C23A(H23A),
 C27A(H27A)
2.c Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C20(H20A,H20B), C21(H21A,
 H21B), C24(H24A,H24B), C25(H25A,H25B), C13A(H13C,H13D), C14A(H14C,H14D),
 C15A(H15C,H15D), C20A(H20C,H20D), C21A(H21C,H21D), C24A(H24C,H24D), C25A(H25C,
 H25D)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C16A(H16D,H16E,H16F), C17A(H17D,
 H17E,H17F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir4 Ir -0.33767(2) -0.60587(2) -0.29816(2) 0.01135(3) Uani 1 1 d . . . . .
S1 S -0.17765(4) -0.65966(5) -0.14532(4) 0.01743(14) Uani 1 1 d . . . . .
C1 C -0.42783(15) -0.71912(17) -0.29720(16) 0.0154(5) Uani 1 1 d . . . . .
C2 C -0.40884(16) -0.79963(18) -0.22523(17) 0.0164(5) Uani 1 1 d . . . . .
C13 C -0.46638(17) -0.77154(18) -0.37480(17) 0.0202(6) Uani 1 1 d . . . . .
H13A H -0.4287 -0.7758 -0.4148 0.024 Uiso 1 1 calc R U . . .
H13B H -0.5150 -0.7391 -0.4018 0.024 Uiso 1 1 calc R U . . .
C14 C -0.48806(19) -0.8689(2) -0.3474(2) 0.0284(7) Uani 1 1 d . . . . .
H14A H -0.5446 -0.8707 -0.3396 0.034 Uiso 1 1 calc R U . . .
H14B H -0.4804 -0.9146 -0.3903 0.034 Uiso 1 1 calc R U . . .
C15 C -0.43333(18) -0.89154(18) -0.26561(19) 0.0231(6) Uani 1 1 d . . . . .
H15A H -0.4621 -0.9290 -0.2295 0.028 Uiso 1 1 calc R U . . .
H15B H -0.3859 -0.9262 -0.2762 0.028 Uiso 1 1 calc R U . . .
C16 C -0.16575(17) -0.54257(19) -0.11165(18) 0.0220(6) Uani 1 1 d . . . . .
H16A H -0.1795 -0.5015 -0.1593 0.033 Uiso 1 1 calc R U . . .
H16B H -0.1102 -0.5320 -0.0860 0.033 Uiso 1 1 calc R U . . .
H16C H -0.2010 -0.5301 -0.0712 0.033 Uiso 1 1 calc R U . . .
C17 C -0.15145(17) -0.7194(2) -0.04774(18) 0.0251(6) Uani 1 1 d . . . . .
H17A H -0.1607 -0.7855 -0.0563 0.038 Uiso 1 1 calc R U . . .
H17B H -0.1844 -0.6963 -0.0083 0.038 Uiso 1 1 calc R U . . .
H17C H -0.0950 -0.7087 -0.0258 0.038 Uiso 1 1 calc R U . . .
C18 C -0.32500(17) -0.61719(18) -0.42850(17) 0.0186(6) Uani 1 1 d . . . . .
H18 H -0.3478 -0.6753 -0.4554 0.022 Uiso 1 1 calc R U . . .
C19 C -0.24949(17) -0.62897(19) -0.37920(17) 0.0193(6) Uani 1 1 d . . . . .
H19 H -0.2288 -0.6934 -0.3782 0.023 Uiso 1 1 calc R U . . .
C20 C -0.18499(17) -0.5559(2) -0.36815(19) 0.0229(6) Uani 1 1 d . . . . .
H20A H -0.1622 -0.5506 -0.4199 0.027 Uiso 1 1 calc R U . . .
H20B H -0.1416 -0.5749 -0.3234 0.027 Uiso 1 1 calc R U . . .
C21 C -0.21692(17) -0.46191(19) -0.34678(18) 0.0222(6) Uani 1 1 d . . . . .
H21A H -0.2332 -0.4264 -0.3984 0.027 Uiso 1 1 calc R U . . .
H21B H -0.1739 -0.4273 -0.3117 0.027 Uiso 1 1 calc R U . . .
C22 C -0.28826(16) -0.47140(17) -0.30104(17) 0.0175(6) Uani 1 1 d . . . . .
H22 H -0.2799 -0.4402 -0.2459 0.021 Uiso 1 1 calc R U . . .
C23 C -0.36916(16) -0.46922(17) -0.34164(17) 0.0174(6) Uani 1 1 d . . . . .
H23 H -0.4060 -0.4369 -0.3093 0.021 Uiso 1 1 calc R U . . .
C24 C -0.39486(17) -0.46355(19) -0.43412(18) 0.0228(6) Uani 1 1 d . . . . .
H24A H -0.3862 -0.4002 -0.4530 0.027 Uiso 1 1 calc R U . . .
H24B H -0.4526 -0.4772 -0.4478 0.027 Uiso 1 1 calc R U . . .
C25 C -0.34859(18) -0.5312(2) -0.48004(17) 0.0230(6) Uani 1 1 d . . . . .
H25A H -0.3820 -0.5491 -0.5330 0.028 Uiso 1 1 calc R U . . .
H25B H -0.3000 -0.5008 -0.4930 0.028 Uiso 1 1 calc R U . . .
B3 B -0.32679(17) -0.7492(2) -0.26125(19) 0.0154(6) Uani 1 1 d . . . . .
H3 H -0.3053 -0.7996 -0.2994 0.018 Uiso 1 1 d R U . . .
B5 B -0.45325(18) -0.6181(2) -0.2536(2) 0.0155(6) Uani 1 1 d . . . . .
H5 H -0.4986 -0.5789 -0.2884 0.019 Uiso 1 1 d R U . . .
B6 B -0.48649(18) -0.7258(2) -0.2207(2) 0.0186(6) Uani 1 1 d . . . . .
H6 H -0.5441 -0.7544 -0.2364 0.022 Uiso 1 1 d R U . . .
B7 B -0.32748(18) -0.7791(2) -0.15352(19) 0.0165(6) Uani 1 1 d . . . . .
H7 H -0.2944 -0.8355 -0.1303 0.020 Uiso 1 1 d R U . . .
B8 B -0.28988(17) -0.6705(2) -0.17904(18) 0.0146(6) Uani 1 1 d . . . . .
B9 B -0.36680(18) -0.5837(2) -0.17400(19) 0.0150(6) Uani 1 1 d . . . . .
H9 H -0.3557 -0.5173 -0.1475 0.018 Uiso 1 1 d R U . . .
B10 B -0.44987(18) -0.6447(2) -0.1456(2) 0.0175(6) Uani 1 1 d . . . . .
H10 H -0.4845 -0.6198 -0.1074 0.021 Uiso 1 1 d R U . . .
B11 B -0.42444(18) -0.7626(2) -0.1295(2) 0.0190(6) Uani 1 1 d . . . . .
H11 H -0.4443 -0.8101 -0.0925 0.023 Uiso 1 1 d R U . . .
B12 B -0.35140(18) -0.6778(2) -0.1005(2) 0.0179(6) Uani 1 1 d . . . . .
H12 H -0.3280 -0.6723 -0.0375 0.021 Uiso 1 1 d R U . . .
Ir4A Ir -0.16038(2) -0.37934(2) -0.70394(2) 0.01051(3) Uani 1 1 d . . . . .
S1A S -0.32506(4) -0.40500(4) -0.85869(4) 0.01531(13) Uani 1 1 d . . . . .
C1A C -0.07603(15) -0.49452(17) -0.71874(16) 0.0136(5) Uani 1 1 d . . . . .
C2A C -0.10089(15) -0.56549(17) -0.79805(16) 0.0140(5) Uani 1 1 d . . . . .
C13A C -0.03795(16) -0.55725(18) -0.64782(16) 0.0172(5) Uani 1 1 d . . . . .
H13C H -0.0746 -0.5652 -0.6072 0.021 Uiso 1 1 calc R U . . .
H13D H 0.0123 -0.5297 -0.6191 0.021 Uiso 1 1 calc R U . . .
C14A C -0.02094(17) -0.65151(18) -0.68571(18) 0.0207(6) Uani 1 1 d . . . . .
H14C H 0.0347 -0.6536 -0.6965 0.025 Uiso 1 1 calc R U . . .
H14D H -0.0284 -0.7018 -0.6469 0.025 Uiso 1 1 calc R U . . .
C15A C -0.08007(16) -0.66279(18) -0.76766(17) 0.0184(6) Uani 1 1 d . . . . .
H15C H -0.0550 -0.6974 -0.8088 0.022 Uiso 1 1 calc R U . . .
H15D H -0.1285 -0.6961 -0.7580 0.022 Uiso 1 1 calc R U . . .
C16A C -0.33097(17) -0.28341(19) -0.87882(19) 0.0237(6) Uani 1 1 d . . . . .
H16D H -0.2964 -0.2675 -0.9191 0.036 Uiso 1 1 calc R U . . .
H16E H -0.3136 -0.2497 -0.8272 0.036 Uiso 1 1 calc R U . . .
H16F H -0.3862 -0.2667 -0.9012 0.036 Uiso 1 1 calc R U . . .
C17A C -0.35556(18) -0.4479(2) -0.96232(18) 0.0283(7) Uani 1 1 d . . . . .
H17D H -0.3492 -0.5150 -0.9626 0.042 Uiso 1 1 calc R U . . .
H17E H -0.3224 -0.4201 -0.9994 0.042 Uiso 1 1 calc R U . . .
H17F H -0.4116 -0.4321 -0.9814 0.042 Uiso 1 1 calc R U . . .
C19A C -0.25165(16) -0.40565(19) -0.62754(17) 0.0178(6) Uani 1 1 d . . . . .
H19A H -0.2787 -0.4666 -0.6379 0.021 Uiso 1 1 calc R U . . .
C20A C -0.30823(16) -0.32560(19) -0.62620(17) 0.0203(6) Uani 1 1 d . . . . .
H20C H -0.3292 -0.3261 -0.5732 0.024 Uiso 1 1 calc R U . . .
H20D H -0.3540 -0.3331 -0.6716 0.024 Uiso 1 1 calc R U . . .
C21A C -0.26796(17) -0.23282(19) -0.63584(18) 0.0218(6) Uani 1 1 d . . . . .
H21C H -0.2492 -0.2064 -0.5803 0.026 Uiso 1 1 calc R U . . .
H21D H -0.3075 -0.1898 -0.6663 0.026 Uiso 1 1 calc R U . . .
C22A C -0.19715(17) -0.24231(17) -0.68240(18) 0.0194(6) Uani 1 1 d . . . . .
H22A H -0.2018 -0.2023 -0.7326 0.023 Uiso 1 1 calc R U . . .
C23A C -0.11691(17) -0.25467(18) -0.64238(18) 0.0222(6) Uani 1 1 d . . . . .
H23A H -0.0770 -0.2216 -0.6702 0.027 Uiso 1 1 calc R U . . .
C24A C -0.09011(18) -0.2680(2) -0.55011(19) 0.0300(7) Uani 1 1 d . . . . .
H24C H -0.0911 -0.2080 -0.5216 0.036 Uiso 1 1 calc R U . . .
H24D H -0.0346 -0.2911 -0.5401 0.036 Uiso 1 1 calc R U . . .
C25A C -0.14401(18) -0.3361(2) -0.51424(18) 0.0274(7) Uani 1 1 d . . . . .
H25C H -0.1136 -0.3656 -0.4644 0.033 Uiso 1 1 calc R U . . .
H25D H -0.1895 -0.3025 -0.4973 0.033 Uiso 1 1 calc R U . . .
C27A C -0.17559(17) -0.4100(2) -0.57754(17) 0.0204(6) Uani 1 1 d . . . . .
H27A H -0.1590 -0.4739 -0.5595 0.024 Uiso 1 1 calc R U . . .
B3A B -0.17894(17) -0.51636(19) -0.75484(18) 0.0133(6) Uani 1 1 d . . . . .
H3A H -0.2096 -0.5644 -0.7204 0.016 Uiso 1 1 d R U . . .
B5A B -0.04674(18) -0.38986(19) -0.75330(19) 0.0127(6) Uani 1 1 d . . . . .
H5A H 0.0023 -0.3548 -0.7158 0.015 Uiso 1 1 d R U . . .
B6A B -0.02002(17) -0.49511(19) -0.79714(18) 0.0138(6) Uani 1 1 d . . . . .
H6A H 0.0381 -0.5237 -0.7844 0.017 Uiso 1 1 d R U . . .
B7A B -0.18247(18) -0.5335(2) -0.86508(18) 0.0146(6) Uani 1 1 d . . . . .
H7A H -0.2189 -0.5805 -0.8936 0.017 Uiso 1 1 d R U . . .
B8A B -0.21324(17) -0.42643(19) -0.82819(18) 0.0125(6) Uani 1 1 d . . . . .
B9A B -0.13298(17) -0.3433(2) -0.82682(18) 0.0133(6) Uani 1 1 d . . . . .
H9A H -0.1403 -0.2726 -0.8468 0.016 Uiso 1 1 d R U . . .
B10A B -0.05429(18) -0.4044(2) -0.86365(18) 0.0139(6) Uani 1 1 d . . . . .
H10A H -0.0162 -0.3874 -0.8929 0.017 Uiso 1 1 d R U . . .
B11A B -0.08523(18) -0.5193(2) -0.89014(19) 0.0155(6) Uani 1 1 d . . . . .
H11A H -0.0628 -0.5634 -0.9367 0.019 Uiso 1 1 d R U . . .
B12A B -0.15439(17) -0.4286(2) -0.90864(18) 0.0141(6) Uani 1 1 d . . . . .
H12A H -0.1763 -0.4073 -0.9693 0.017 Uiso 1 1 d 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'
B B 0.0013 0.0007 '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'
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
C18 Ir4 C1 97.32(10) . . ?
C18 Ir4 B5 123.40(11) . . ?
C18 Ir4 B8 138.87(11) . . ?
C18 Ir4 B9 171.55(11) . . ?
C19 Ir4 C1 115.29(10) . . ?
C19 Ir4 C18 37.67(11) . . ?
C19 Ir4 B5 157.35(11) . . ?
C19 Ir4 B8 106.41(11) . . ?
C19 Ir4 B9 150.10(11) . . ?
C22 Ir4 C1 160.42(10) . . ?
C22 Ir4 C18 86.88(10) . . ?
C22 Ir4 C19 79.38(10) . . ?
C22 Ir4 C23 38.94(10) . . ?
C22 Ir4 B3 150.62(11) . . ?
C22 Ir4 B5 117.09(10) . . ?
C22 Ir4 B8 108.79(11) . . ?
C22 Ir4 B9 92.03(11) . . ?
C23 Ir4 C1 123.06(10) . . ?
C23 Ir4 C18 78.75(10) . . ?
C23 Ir4 C19 95.70(10) . . ?
C23 Ir4 B3 170.39(11) . . ?
C23 Ir4 B5 89.84(11) . . ?
C23 Ir4 B8 136.52(11) . . ?
C23 Ir4 B9 95.16(11) . . ?
B3 Ir4 C1 47.37(10) . . ?
B3 Ir4 C18 100.51(11) . . ?
B3 Ir4 C19 89.19(11) . . ?
B3 Ir4 B5 82.57(11) . . ?
B3 Ir4 B8 48.65(11) . . ?
B3 Ir4 B9 84.51(11) . . ?
B5 Ir4 C1 45.30(10) . . ?
B8 Ir4 C1 80.47(10) . . ?
B8 Ir4 B5 83.81(11) . . ?
B9 Ir4 C1 81.02(10) . . ?
B9 Ir4 B5 50.12(12) . . ?
B9 Ir4 B8 49.22(11) . . ?
C16 S1 C17 100.66(14) . . ?
C16 S1 B8 103.05(13) . . ?
C17 S1 B8 107.87(13) . . ?
C2 C1 Ir4 117.92(16) . . ?
C2 C1 B3 61.61(16) . . ?
C2 C1 B5 109.9(2) . . ?
C2 C1 B6 60.82(16) . . ?
C13 C1 Ir4 123.84(18) . . ?
C13 C1 C2 104.2(2) . . ?
C13 C1 B3 114.3(2) . . ?
C13 C1 B5 131.8(2) . . ?
C13 C1 B6 110.7(2) . . ?
B3 C1 Ir4 63.88(12) . . ?
B5 C1 Ir4 66.14(13) . . ?
B5 C1 B3 111.5(2) . . ?
B5 C1 B6 62.10(17) . . ?
B6 C1 Ir4 121.37(17) . . ?
B6 C1 B3 112.8(2) . . ?
C1 C2 B3 62.60(16) . . ?
C1 C2 B6 61.63(16) . . ?
C1 C2 B7 114.4(2) . . ?
C1 C2 B11 112.7(2) . . ?
C15 C2 C1 107.7(2) . . ?
C15 C2 B3 113.4(2) . . ?
C15 C2 B6 114.3(2) . . ?
C15 C2 B7 126.4(2) . . ?
C15 C2 B11 126.9(2) . . ?
B6 C2 B3 114.3(2) . . ?
B6 C2 B11 61.94(17) . . ?
B7 C2 B3 63.61(17) . . ?
B7 C2 B6 114.1(2) . . ?
B7 C2 B11 62.66(17) . . ?
B11 C2 B3 115.0(2) . . ?
C1 C13 H13A 110.2 . . ?
C1 C13 H13B 110.2 . . ?
C1 C13 C14 107.7(2) . . ?
H13A C13 H13B 108.5 . . ?
C14 C13 H13A 110.2 . . ?
C14 C13 H13B 110.2 . . ?
C13 C14 H14A 110.1 . . ?
C13 C14 H14B 110.1 . . ?
H14A C14 H14B 108.4 . . ?
C15 C14 C13 108.0(2) . . ?
C15 C14 H14A 110.1 . . ?
C15 C14 H14B 110.1 . . ?
C2 C15 C14 106.0(2) . . ?
C2 C15 H15A 110.5 . . ?
C2 C15 H15B 110.5 . . ?
C14 C15 H15A 110.5 . . ?
C14 C15 H15B 110.5 . . ?
H15A C15 H15B 108.7 . . ?
S1 C16 H16A 109.5 . . ?
S1 C16 H16B 109.5 . . ?
S1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S1 C17 H17A 109.5 . . ?
S1 C17 H17B 109.5 . . ?
S1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Ir4 C18 H18 113.6 . . ?
C19 C18 Ir4 71.08(16) . . ?
C19 C18 H18 113.6 . . ?
C19 C18 C25 123.3(2) . . ?
C25 C18 Ir4 114.83(18) . . ?
C25 C18 H18 113.6 . . ?
Ir4 C19 H19 114.1 . . ?
C18 C19 Ir4 71.25(15) . . ?
C18 C19 H19 114.1 . . ?
C18 C19 C20 123.8(3) . . ?
C20 C19 Ir4 111.98(18) . . ?
C20 C19 H19 114.1 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C19 C20 C21 112.1(2) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.3 . . ?
C20 C21 C22 111.7(2) . . ?
H21A C21 H21B 107.9 . . ?
C22 C21 H21A 109.3 . . ?
C22 C21 H21B 109.3 . . ?
Ir4 C22 H22 113.2 . . ?
C21 C22 Ir4 116.07(18) . . ?
C21 C22 H22 113.2 . . ?
C23 C22 Ir4 71.18(14) . . ?
C23 C22 C21 123.4(2) . . ?
C23 C22 H22 113.2 . . ?
Ir4 C23 H23 113.7 . . ?
C22 C23 Ir4 69.88(14) . . ?
C22 C23 H23 113.7 . . ?
C22 C23 C24 124.6(2) . . ?
C24 C23 Ir4 113.51(18) . . ?
C24 C23 H23 113.7 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
C23 C24 C25 111.7(2) . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C18 C25 C24 111.4(2) . . ?
C18 C25 H25A 109.4 . . ?
C18 C25 H25B 109.4 . . ?
C24 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
Ir4 B3 H3 121.3 . . ?
C1 B3 Ir4 68.76(13) . . ?
C1 B3 H3 112.4 . . ?
C1 B3 B7 102.79(19) . . ?
C1 B3 B8 106.98(19) . . ?
C2 B3 Ir4 117.23(17) . . ?
C2 B3 C1 55.79(15) . . ?
C2 B3 H3 106.0 . . ?
C2 B3 B7 56.26(16) . . ?
C2 B3 B8 102.3(2) . . ?
B7 B3 Ir4 119.09(18) . . ?
B7 B3 H3 117.4 . . ?
B8 B3 Ir4 66.53(13) . . ?
B8 B3 H3 139.9 . . ?
B8 B3 B7 58.85(17) . . ?
Ir4 B5 H5 113.0 . . ?
C1 B5 Ir4 68.56(13) . . ?
C1 B5 H5 116.7 . . ?
C1 B5 B6 59.14(16) . . ?
C1 B5 B9 107.2(2) . . ?
C1 B5 B10 104.8(2) . . ?
B6 B5 Ir4 120.94(18) . . ?
B6 B5 H5 113.6 . . ?
B6 B5 B9 106.1(2) . . ?
B6 B5 B10 58.33(17) . . ?
B9 B5 Ir4 64.43(13) . . ?
B9 B5 H5 131.3 . . ?
B10 B5 Ir4 116.97(19) . . ?
B10 B5 H5 123.6 . . ?
B10 B5 B9 58.45(17) . . ?
C1 B6 B5 58.76(16) . . ?
C1 B6 H6 117.9 . . ?
C1 B6 B10 107.0(2) . . ?
C1 B6 B11 107.2(2) . . ?
C2 B6 C1 57.55(15) . . ?
C2 B6 B5 104.7(2) . . ?
C2 B6 H6 115.6 . . ?
C2 B6 B10 105.4(2) . . ?
C2 B6 B11 59.22(17) . . ?
B5 B6 H6 127.0 . . ?
B10 B6 B5 61.52(18) . . ?
B10 B6 H6 130.4 . . ?
B10 B6 B11 60.83(18) . . ?
B11 B6 B5 110.3(2) . . ?
B11 B6 H6 119.2 . . ?
C2 B7 B3 60.13(16) . . ?
C2 B7 H7 116.8 . . ?
C2 B7 B8 106.2(2) . . ?
C2 B7 B11 59.52(17) . . ?
C2 B7 B12 104.9(2) . . ?
B3 B7 H7 117.3 . . ?
B8 B7 B3 60.02(16) . . ?
B8 B7 H7 126.7 . . ?
B8 B7 B12 60.17(17) . . ?
B11 B7 B3 109.7(2) . . ?
B11 B7 H7 119.8 . . ?
B11 B7 B8 108.4(2) . . ?
B11 B7 B12 59.17(17) . . ?
B12 B7 B3 108.2(2) . . ?
B12 B7 H7 129.0 . . ?
S1 B8 Ir4 115.44(14) . . ?
B3 B8 Ir4 64.81(13) . . ?
B3 B8 S1 118.71(18) . . ?
B3 B8 B9 107.9(2) . . ?
B7 B8 Ir4 119.55(18) . . ?
B7 B8 S1 112.79(18) . . ?
B7 B8 B3 61.13(17) . . ?
B7 B8 B9 108.3(2) . . ?
B7 B8 B12 60.25(17) . . ?
B9 B8 Ir4 65.26(13) . . ?
B9 B8 S1 128.28(19) . . ?
B12 B8 Ir4 119.25(18) . . ?
B12 B8 S1 118.18(19) . . ?
B12 B8 B3 109.1(2) . . ?
B12 B8 B9 60.12(16) . . ?
Ir4 B9 H9 117.3 . . ?
B5 B9 Ir4 65.45(13) . . ?
B5 B9 H9 126.5 . . ?
B8 B9 Ir4 65.53(13) . . ?
B8 B9 B5 105.7(2) . . ?
B8 B9 H9 124.4 . . ?
B10 B9 Ir4 118.33(18) . . ?
B10 B9 B5 58.96(16) . . ?
B10 B9 B8 105.7(2) . . ?
B10 B9 H9 116.1 . . ?
B10 B9 B12 59.29(17) . . ?
B12 B9 Ir4 118.35(17) . . ?
B12 B9 B5 105.9(2) . . ?
B12 B9 B8 58.82(16) . . ?
B12 B9 H9 114.7 . . ?
B5 B10 H10 127.7 . . ?
B6 B10 B5 60.14(17) . . ?
B6 B10 B9 110.9(2) . . ?
B6 B10 H10 120.6 . . ?
B6 B10 B11 60.21(18) . . ?
B6 B10 B12 108.2(2) . . ?
B9 B10 B5 62.60(17) . . ?
B9 B10 H10 123.8 . . ?
B11 B10 B5 108.7(2) . . ?
B11 B10 B9 109.4(2) . . ?
B11 B10 H10 114.3 . . ?
B11 B10 B12 59.22(17) . . ?
B12 B10 B5 110.0(2) . . ?
B12 B10 B9 60.94(17) . . ?
B12 B10 H10 116.7 . . ?
C2 B11 B6 58.84(17) . . ?
C2 B11 B7 57.82(16) . . ?
C2 B11 B10 103.7(2) . . ?
C2 B11 H11 116.6 . . ?
C2 B11 B12 105.0(2) . . ?
B6 B11 B7 107.6(2) . . ?
B6 B11 B10 58.96(17) . . ?
B6 B11 H11 120.1 . . ?
B7 B11 B10 108.1(2) . . ?
B7 B11 H11 116.9 . . ?
B10 B11 H11 130.6 . . ?
B12 B11 B6 108.3(2) . . ?
B12 B11 B7 60.90(17) . . ?
B12 B11 B10 60.54(17) . . ?
B12 B11 H11 127.4 . . ?
B7 B12 B9 108.6(2) . . ?
B7 B12 H12 117.5 . . ?
B8 B12 B7 59.59(16) . . ?
B8 B12 B9 61.06(16) . . ?
B8 B12 H12 122.1 . . ?
B9 B12 H12 126.0 . . ?
B10 B12 B7 107.1(2) . . ?
B10 B12 B8 107.8(2) . . ?
B10 B12 B9 59.77(17) . . ?
B10 B12 H12 124.7 . . ?
B11 B12 B7 59.93(17) . . ?
B11 B12 B8 108.5(2) . . ?
B11 B12 B9 109.3(2) . . ?
B11 B12 B10 60.24(17) . . ?
B11 B12 H12 117.3 . . ?
C19A Ir4A C1A 117.28(10) . . ?
C19A Ir4A B5A 160.21(11) . . ?
C19A Ir4A B8A 104.79(11) . . ?
C19A Ir4A B9A 147.45(11) . . ?
C22A Ir4A C1A 157.54(10) . . ?
C22A Ir4A C19A 79.28(10) . . ?
C22A Ir4A C23A 38.89(11) . . ?
C22A Ir4A C27A 87.18(11) . . ?
C22A Ir4A B3A 153.54(11) . . ?
C22A Ir4A B5A 114.87(10) . . ?
C22A Ir4A B8A 110.95(11) . . ?
C22A Ir4A B9A 92.30(11) . . ?
C23A Ir4A C1A 120.27(10) . . ?
C23A Ir4A C19A 95.81(10) . . ?
C23A Ir4A C27A 79.13(11) . . ?
C23A Ir4A B3A 167.57(11) . . ?
C23A Ir4A B5A 88.62(11) . . ?
C23A Ir4A B8A 139.14(11) . . ?
C23A Ir4A B9A 96.91(11) . . ?
C27A Ir4A C1A 97.30(10) . . ?
C27A Ir4A C19A 37.92(11) . . ?
C27A Ir4A B5A 125.38(11) . . ?
C27A Ir4A B8A 136.41(11) . . ?
C27A Ir4A B9A 174.28(11) . . ?
B3A Ir4A C1A 47.65(10) . . ?
B3A Ir4A C19A 89.25(11) . . ?
B3A Ir4A C27A 98.36(11) . . ?
B3A Ir4A B5A 82.93(11) . . ?
B3A Ir4A B8A 48.97(11) . . ?
B3A Ir4A B9A 84.62(11) . . ?
B5A Ir4A C1A 45.49(9) . . ?
B8A Ir4A C1A 80.75(10) . . ?
B8A Ir4A B5A 83.67(11) . . ?
B8A Ir4A B9A 48.91(11) . . ?
B9A Ir4A C1A 81.06(10) . . ?
B9A Ir4A B5A 49.94(11) . . ?
C16A S1A C17A 99.72(15) . . ?
C16A S1A B8A 103.40(13) . . ?
C17A S1A B8A 108.10(13) . . ?
C2A C1A Ir4A 117.60(16) . . ?
C2A C1A B3A 61.19(15) . . ?
C2A C1A B5A 110.01(19) . . ?
C2A C1A B6A 60.88(15) . . ?
C13A C1A Ir4A 124.06(17) . . ?
C13A C1A C2A 104.2(2) . . ?
C13A C1A B3A 114.5(2) . . ?
C13A C1A B5A 131.6(2) . . ?
C13A C1A B6A 110.2(2) . . ?
B3A C1A Ir4A 63.81(12) . . ?
B5A C1A Ir4A 66.47(13) . . ?
B5A C1A B3A 111.64(19) . . ?
B6A C1A Ir4A 121.75(16) . . ?
B6A C1A B3A 112.6(2) . . ?
B6A C1A B5A 62.26(16) . . ?
C1A C2A B3A 62.85(16) . . ?
C1A C2A B6A 61.29(16) . . ?
C1A C2A B7A 114.5(2) . . ?
C1A C2A B11A 112.9(2) . . ?
C15A C2A C1A 107.8(2) . . ?
C15A C2A B3A 113.4(2) . . ?
C15A C2A B6A 114.2(2) . . ?
C15A C2A B7A 126.3(2) . . ?
C15A C2A B11A 126.3(2) . . ?
B6A C2A B3A 114.34(19) . . ?
B7A C2A B3A 63.57(16) . . ?
B7A C2A B6A 114.5(2) . . ?
B7A C2A B11A 63.12(17) . . ?
B11A C2A B3A 115.6(2) . . ?
B11A C2A B6A 62.14(17) . . ?
C1A C13A H13C 110.1 . . ?
C1A C13A H13D 110.1 . . ?
C1A C13A C14A 107.8(2) . . ?
H13C C13A H13D 108.5 . . ?
C14A C13A H13C 110.1 . . ?
C14A C13A H13D 110.1 . . ?
C13A C14A H14C 110.2 . . ?
C13A C14A H14D 110.2 . . ?
H14C C14A H14D 108.5 . . ?
C15A C14A C13A 107.7(2) . . ?
C15A C14A H14C 110.2 . . ?
C15A C14A H14D 110.2 . . ?
C2A C15A C14A 105.6(2) . . ?
C2A C15A H15C 110.6 . . ?
C2A C15A H15D 110.6 . . ?
C14A C15A H15C 110.6 . . ?
C14A C15A H15D 110.6 . . ?
H15C C15A H15D 108.8 . . ?
S1A C16A H16D 109.5 . . ?
S1A C16A H16E 109.5 . . ?
S1A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
S1A C17A H17D 109.5 . . ?
S1A C17A H17E 109.5 . . ?
S1A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
Ir4A C19A H19A 114.1 . . ?
C20A C19A Ir4A 112.78(18) . . ?
C20A C19A H19A 114.1 . . ?
C27A C19A Ir4A 70.81(15) . . ?
C27A C19A H19A 114.1 . . ?
C27A C19A C20A 123.4(3) . . ?
C19A C20A H20C 109.1 . . ?
C19A C20A H20D 109.1 . . ?
C19A C20A C21A 112.3(2) . . ?
H20C C20A H20D 107.9 . . ?
C21A C20A H20C 109.1 . . ?
C21A C20A H20D 109.1 . . ?
C20A C21A H21C 109.2 . . ?
C20A C21A H21D 109.2 . . ?
C20A C21A C22A 111.9(2) . . ?
H21C C21A H21D 107.9 . . ?
C22A C21A H21C 109.2 . . ?
C22A C21A H21D 109.2 . . ?
Ir4A C22A H22A 113.2 . . ?
C21A C22A Ir4A 116.18(18) . . ?
C21A C22A H22A 113.2 . . ?
C23A C22A Ir4A 70.98(15) . . ?
C23A C22A C21A 123.6(3) . . ?
C23A C22A H22A 113.2 . . ?
Ir4A C23A H23A 113.5 . . ?
C22A C23A Ir4A 70.13(15) . . ?
C22A C23A H23A 113.5 . . ?
C22A C23A C24A 125.7(3) . . ?
C24A C23A Ir4A 112.6(2) . . ?
C24A C23A H23A 113.5 . . ?
C23A C24A H24C 109.4 . . ?
C23A C24A H24D 109.4 . . ?
C23A C24A C25A 111.3(2) . . ?
H24C C24A H24D 108.0 . . ?
C25A C24A H24C 109.4 . . ?
C25A C24A H24D 109.4 . . ?
C24A C25A H25C 109.4 . . ?
C24A C25A H25D 109.4 . . ?
H25C C25A H25D 108.0 . . ?
C27A C25A C24A 111.1(2) . . ?
C27A C25A H25C 109.4 . . ?
C27A C25A H25D 109.4 . . ?
Ir4A C27A H27A 113.6 . . ?
C19A C27A Ir4A 71.27(15) . . ?
C19A C27A C25A 123.2(2) . . ?
C19A C27A H27A 113.6 . . ?
C25A C27A Ir4A 114.7(2) . . ?
C25A C27A H27A 113.6 . . ?
Ir4A B3A H3A 116.5 . . ?
C1A B3A Ir4A 68.54(12) . . ?
C1A B3A H3A 118.2 . . ?
C1A B3A B7A 103.07(19) . . ?
C1A B3A B8A 106.53(19) . . ?
C2A B3A Ir4A 117.27(17) . . ?
C2A B3A C1A 55.96(14) . . ?
C2A B3A H3A 114.0 . . ?
C2A B3A B7A 56.43(15) . . ?
C2A B3A B8A 102.11(19) . . ?
B7A B3A Ir4A 119.29(17) . . ?
B7A B3A H3A 119.2 . . ?
B8A B3A Ir4A 66.46(13) . . ?
B8A B3A H3A 133.0 . . ?
B8A B3A B7A 58.86(16) . . ?
Ir4A B5A H5A 113.4 . . ?
C1A B5A Ir4A 68.04(13) . . ?
C1A B5A H5A 117.9 . . ?
C1A B5A B6A 58.69(15) . . ?
C1A B5A B9A 107.1(2) . . ?
C1A B5A B10A 104.38(19) . . ?
B6A B5A Ir4A 120.06(17) . . ?
B6A B5A H5A 114.3 . . ?
B6A B5A B9A 106.1(2) . . ?
B6A B5A B10A 58.42(16) . . ?
B9A B5A Ir4A 64.58(13) . . ?
B9A B5A H5A 130.4 . . ?
B10A B5A Ir4A 116.72(18) . . ?
B10A B5A H5A 123.2 . . ?
B10A B5A B9A 58.39(16) . . ?
C1A B6A B5A 59.05(15) . . ?
C1A B6A H6A 117.8 . . ?
C1A B6A B10A 107.0(2) . . ?
C1A B6A B11A 107.4(2) . . ?
C2A B6A C1A 57.83(15) . . ?
C2A B6A B5A 105.1(2) . . ?
C2A B6A H6A 119.2 . . ?
C2A B6A B10A 105.1(2) . . ?
C2A B6A B11A 58.91(16) . . ?
B5A B6A H6A 123.3 . . ?
B10A B6A B5A 61.44(16) . . ?
B10A B6A H6A 128.5 . . ?
B10A B6A B11A 60.96(17) . . ?
B11A B6A B5A 110.7(2) . . ?
B11A B6A H6A 121.6 . . ?
C2A B7A B3A 60.00(16) . . ?
C2A B7A H7A 120.2 . . ?
C2A B7A B8A 106.0(2) . . ?
C2A B7A B11A 59.08(16) . . ?
C2A B7A B12A 104.5(2) . . ?
B3A B7A H7A 118.9 . . ?
B8A B7A B3A 60.37(16) . . ?
B8A B7A H7A 124.8 . . ?
B8A B7A B11A 108.2(2) . . ?
B8A B7A B12A 59.98(16) . . ?
B11A B7A B3A 109.4(2) . . ?
B11A B7A H7A 120.4 . . ?
B11A B7A B12A 59.23(16) . . ?
B12A B7A B3A 108.3(2) . . ?
B12A B7A H7A 126.3 . . ?
S1A B8A Ir4A 115.51(14) . . ?
B3A B8A Ir4A 64.57(13) . . ?
B3A B8A S1A 119.42(18) . . ?
B3A B8A B9A 108.2(2) . . ?
B7A B8A Ir4A 119.28(17) . . ?
B7A B8A S1A 112.89(18) . . ?
B7A B8A B3A 60.77(16) . . ?
B7A B8A B9A 108.9(2) . . ?
B7A B8A B12A 60.08(16) . . ?
B9A B8A Ir4A 65.72(13) . . ?
B9A B8A S1A 127.36(18) . . ?
B12A B8A Ir4A 119.81(17) . . ?
B12A B8A S1A 117.70(18) . . ?
B12A B8A B3A 108.7(2) . . ?
B12A B8A B9A 60.67(16) . . ?
Ir4A B9A H9A 118.2 . . ?
B5A B9A Ir4A 65.48(13) . . ?
B5A B9A H9A 125.5 . . ?
B8A B9A Ir4A 65.37(13) . . ?
B8A B9A B5A 105.99(19) . . ?
B8A B9A H9A 125.4 . . ?
B10A B9A Ir4A 118.10(17) . . ?
B10A B9A B5A 59.06(16) . . ?
B10A B9A B8A 105.4(2) . . ?
B10A B9A H9A 115.2 . . ?
B10A B9A B12A 58.94(16) . . ?
B12A B9A Ir4A 117.67(17) . . ?
B12A B9A B5A 105.65(19) . . ?
B12A B9A B8A 58.56(15) . . ?
B12A B9A H9A 115.2 . . ?
B5A B10A H10A 124.1 . . ?
B6A B10A B5A 60.14(16) . . ?
B6A B10A B9A 110.8(2) . . ?
B6A B10A H10A 110.0 . . ?
B6A B10A B11A 60.01(16) . . ?
B6A B10A B12A 107.9(2) . . ?
B9A B10A B5A 62.56(16) . . ?
B9A B10A H10A 133.2 . . ?
B11A B10A B5A 108.9(2) . . ?
B11A B10A B9A 109.9(2) . . ?
B11A B10A H10A 109.7 . . ?
B12A B10A B5A 110.2(2) . . ?
B12A B10A B9A 61.32(16) . . ?
B12A B10A H10A 123.9 . . ?
B12A B10A B11A 59.26(16) . . ?
C2A B11A B6A 58.95(16) . . ?
C2A B11A B7A 57.79(16) . . ?
C2A B11A B10A 103.6(2) . . ?
C2A B11A H11A 119.9 . . ?
C2A B11A B12A 104.5(2) . . ?
B6A B11A B7A 107.5(2) . . ?
B6A B11A B10A 59.03(16) . . ?
B6A B11A H11A 118.0 . . ?
B7A B11A B10A 107.5(2) . . ?
B7A B11A H11A 121.8 . . ?
B10A B11A H11A 126.0 . . ?
B12A B11A B6A 107.9(2) . . ?
B12A B11A B7A 60.46(16) . . ?
B12A B11A B10A 60.16(17) . . ?
B12A B11A H11A 127.6 . . ?
B7A B12A B9A 108.9(2) . . ?
B7A B12A H12A 123.7 . . ?
B8A B12A B7A 59.94(16) . . ?
B8A B12A B9A 60.76(16) . . ?
B8A B12A H12A 122.7 . . ?
B9A B12A H12A 119.6 . . ?
B10A B12A B7A 107.7(2) . . ?
B10A B12A B8A 107.8(2) . . ?
B10A B12A B9A 59.74(16) . . ?
B10A B12A H12A 120.1 . . ?
B11A B12A B7A 60.31(16) . . ?
B11A B12A B8A 109.0(2) . . ?
B11A B12A B9A 109.7(2) . . ?
B11A B12A B10A 60.59(17) . . ?
B11A B12A H12A 120.5 . . ?
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
Ir4 C1 2.250(3) . ?
Ir4 C18 2.185(3) . ?
Ir4 C19 2.183(3) . ?
Ir4 C22 2.131(3) . ?
Ir4 C23 2.148(2) . ?
Ir4 B3 2.168(3) . ?
Ir4 B5 2.211(3) . ?
Ir4 B8 2.197(3) . ?
Ir4 B9 2.193(3) . ?
S1 C16 1.790(3) . ?
S1 C17 1.808(3) . ?
S1 B8 1.903(3) . ?
C1 C2 1.654(4) . ?
C1 C13 1.534(4) . ?
C1 B3 1.776(4) . ?
C1 B5 1.718(4) . ?
C1 B6 1.725(4) . ?
C2 C15 1.518(4) . ?
C2 B3 1.760(4) . ?
C2 B6 1.712(4) . ?
C2 B7 1.688(4) . ?
C2 B11 1.719(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.547(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.537(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.410(4) . ?
C18 C25 1.524(4) . ?
C19 H19 1.0000 . ?
C19 C20 1.516(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.531(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.531(4) . ?
C22 H22 1.0000 . ?
C22 C23 1.426(4) . ?
C23 H23 1.0000 . ?
C23 C24 1.508(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.531(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
B3 H3 1.0659 . ?
B3 B7 1.818(4) . ?
B3 B8 1.798(4) . ?
B5 H5 1.0493 . ?
B5 B6 1.776(4) . ?
B5 B9 1.865(4) . ?
B5 B10 1.800(4) . ?
B6 H6 1.0559 . ?
B6 B10 1.743(4) . ?
B6 B11 1.765(4) . ?
B7 H7 1.0306 . ?
B7 B8 1.777(4) . ?
B7 B11 1.772(4) . ?
B7 B12 1.789(4) . ?
B8 B9 1.828(4) . ?
B8 B12 1.787(4) . ?
B9 H9 1.0628 . ?
B9 B10 1.790(4) . ?
B9 B12 1.811(4) . ?
B10 H10 0.9945 . ?
B10 B11 1.776(4) . ?
B10 B12 1.782(4) . ?
B11 H11 1.0115 . ?
B11 B12 1.758(4) . ?
B12 H12 1.0468 . ?
Ir4A C1A 2.242(3) . ?
Ir4A C19A 2.179(3) . ?
Ir4A C22A 2.134(3) . ?
Ir4A C23A 2.145(3) . ?
Ir4A C27A 2.173(3) . ?
Ir4A B3A 2.162(3) . ?
Ir4A B5A 2.217(3) . ?
Ir4A B8A 2.195(3) . ?
Ir4A B9A 2.201(3) . ?
S1A C16A 1.798(3) . ?
S1A C17A 1.803(3) . ?
S1A B8A 1.910(3) . ?
C1A C2A 1.658(3) . ?
C1A C13A 1.534(3) . ?
C1A B3A 1.781(4) . ?
C1A B5A 1.724(4) . ?
C1A B6A 1.718(4) . ?
C2A C15A 1.522(4) . ?
C2A B3A 1.754(4) . ?
C2A B6A 1.711(4) . ?
C2A B7A 1.687(4) . ?
C2A B11A 1.710(4) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C14A 1.550(4) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C14A C15A 1.548(4) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C19A H19A 1.0000 . ?
C19A C20A 1.512(4) . ?
C19A C27A 1.414(4) . ?
C20A H20C 0.9900 . ?
C20A H20D 0.9900 . ?
C20A C21A 1.532(4) . ?
C21A H21C 0.9900 . ?
C21A H21D 0.9900 . ?
C21A C22A 1.532(4) . ?
C22A H22A 1.0000 . ?
C22A C23A 1.424(4) . ?
C23A H23A 1.0000 . ?
C23A C24A 1.517(4) . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
C24A C25A 1.529(4) . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C25A C27A 1.529(4) . ?
C27A H27A 1.0000 . ?
B3A H3A 1.0831 . ?
B3A B7A 1.813(4) . ?
B3A B8A 1.806(4) . ?
B5A H5A 1.0795 . ?
B5A B6A 1.780(4) . ?
B5A B9A 1.865(4) . ?
B5A B10A 1.802(4) . ?
B6A H6A 1.0612 . ?
B6A B10A 1.748(4) . ?
B6A B11A 1.766(4) . ?
B7A H7A 0.9862 . ?
B7A B8A 1.778(4) . ?
B7A B11A 1.778(4) . ?
B7A B12A 1.781(4) . ?
B8A B9A 1.819(4) . ?
B8A B12A 1.779(4) . ?
B9A H9A 1.0801 . ?
B9A B10A 1.790(4) . ?
B9A B12A 1.818(4) . ?
B10A H10A 0.8998 . ?
B10A B11A 1.783(4) . ?
B10A B12A 1.775(4) . ?
B11A H11A 1.1103 . ?
B11A B12A 1.759(4) . ?
B12A H12A 1.0486 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ir4 C1 C2 C15 -139.13(19) . . . . ?
Ir4 C1 C2 B3 -31.48(17) . . . . ?
Ir4 C1 C2 B6 112.3(2) . . . . ?
Ir4 C1 C2 B7 6.9(3) . . . . ?
Ir4 C1 C2 B11 76.0(2) . . . . ?
Ir4 C1 C13 C14 151.63(19) . . . . ?
Ir4 C1 B3 C2 149.08(17) . . . . ?
Ir4 C1 B3 B7 116.53(18) . . . . ?
Ir4 C1 B3 B8 55.57(15) . . . . ?
Ir4 C1 B5 B6 -151.42(18) . . . . ?
Ir4 C1 B5 B9 -52.60(15) . . . . ?
Ir4 C1 B5 B10 -113.60(19) . . . . ?
Ir4 C1 B6 C2 -106.7(2) . . . . ?
Ir4 C1 B6 B5 30.83(19) . . . . ?
Ir4 C1 B6 B10 -9.0(3) . . . . ?
Ir4 C1 B6 B11 -72.9(2) . . . . ?
Ir4 C18 C19 C20 -104.4(3) . . . . ?
Ir4 C18 C25 C24 -13.7(3) . . . . ?
Ir4 C19 C20 C21 -33.0(3) . . . . ?
Ir4 C22 C23 C24 -105.3(2) . . . . ?
Ir4 C23 C24 C25 -34.8(3) . . . . ?
Ir4 B3 B7 C2 105.0(2) . . . . ?
Ir4 B3 B7 B8 -29.68(18) . . . . ?
Ir4 B3 B7 B11 70.7(3) . . . . ?
Ir4 B3 B7 B12 7.8(3) . . . . ?
Ir4 B3 B8 S1 -106.47(18) . . . . ?
Ir4 B3 B8 B7 151.86(17) . . . . ?
Ir4 B3 B8 B9 50.35(16) . . . . ?
Ir4 B3 B8 B12 114.11(19) . . . . ?
Ir4 B5 B6 C1 -31.28(19) . . . . ?
Ir4 B5 B6 C2 4.8(3) . . . . ?
Ir4 B5 B6 B10 104.6(2) . . . . ?
Ir4 B5 B6 B11 67.0(3) . . . . ?
Ir4 B5 B9 B8 -53.00(15) . . . . ?
Ir4 B5 B9 B10 -152.10(18) . . . . ?
Ir4 B5 B9 B12 -114.39(18) . . . . ?
Ir4 B5 B10 B6 -111.3(2) . . . . ?
Ir4 B5 B10 B9 28.27(18) . . . . ?
Ir4 B5 B10 B11 -74.4(2) . . . . ?
Ir4 B5 B10 B12 -11.3(3) . . . . ?
Ir4 B8 B9 B5 52.96(15) . . . . ?
Ir4 B8 B9 B10 114.44(19) . . . . ?
Ir4 B8 B9 B12 152.28(18) . . . . ?
Ir4 B8 B12 B7 109.3(2) . . . . ?
Ir4 B8 B12 B9 -28.96(19) . . . . ?
Ir4 B8 B12 B10 9.6(3) . . . . ?
Ir4 B8 B12 B11 73.4(2) . . . . ?
Ir4 B9 B10 B5 -28.92(18) . . . . ?
Ir4 B9 B10 B6 8.1(3) . . . . ?
Ir4 B9 B10 B11 72.7(3) . . . . ?
Ir4 B9 B10 B12 107.9(2) . . . . ?
Ir4 B9 B12 B7 -8.5(3) . . . . ?
Ir4 B9 B12 B8 28.76(18) . . . . ?
Ir4 B9 B12 B10 -107.9(2) . . . . ?
Ir4 B9 B12 B11 -72.2(2) . . . . ?
S1 B8 B9 Ir4 103.8(2) . . . . ?
S1 B8 B9 B5 156.8(2) . . . . ?
S1 B8 B9 B10 -141.7(2) . . . . ?
S1 B8 B9 B12 -103.9(3) . . . . ?
S1 B8 B12 B7 -101.5(2) . . . . ?
S1 B8 B12 B9 120.2(2) . . . . ?
S1 B8 B12 B10 158.74(19) . . . . ?
S1 B8 B12 B11 -137.5(2) . . . . ?
C1 C2 C15 C14 -17.0(3) . . . . ?
C1 C2 B3 Ir4 32.59(18) . . . . ?
C1 C2 B3 B7 140.9(2) . . . . ?
C1 C2 B3 B8 102.3(2) . . . . ?
C1 C2 B6 B5 -36.63(19) . . . . ?
C1 C2 B6 B10 -100.6(2) . . . . ?
C1 C2 B6 B11 -141.8(2) . . . . ?
C1 C2 B7 B3 -37.9(2) . . . . ?
C1 C2 B7 B8 2.0(3) . . . . ?
C1 C2 B7 B11 104.1(2) . . . . ?
C1 C2 B7 B12 64.7(3) . . . . ?
C1 C2 B11 B6 36.2(2) . . . . ?
C1 C2 B11 B7 -106.7(2) . . . . ?
C1 C2 B11 B10 -3.7(3) . . . . ?
C1 C2 B11 B12 -66.4(3) . . . . ?
C1 C13 C14 C15 -24.2(3) . . . . ?
C1 B3 B7 C2 32.34(17) . . . . ?
C1 B3 B7 B8 -102.3(2) . . . . ?
C1 B3 B7 B11 -1.9(3) . . . . ?
C1 B3 B7 B12 -64.8(2) . . . . ?
C1 B3 B8 Ir4 -56.94(15) . . . . ?
C1 B3 B8 S1 -163.41(18) . . . . ?
C1 B3 B8 B7 94.9(2) . . . . ?
C1 B3 B8 B9 -6.6(3) . . . . ?
C1 B3 B8 B12 57.2(3) . . . . ?
C1 B5 B6 C2 36.08(19) . . . . ?
C1 B5 B6 B10 135.8(2) . . . . ?
C1 B5 B6 B11 98.2(2) . . . . ?
C1 B5 B9 Ir4 55.06(16) . . . . ?
C1 B5 B9 B8 2.1(3) . . . . ?
C1 B5 B9 B10 -97.0(2) . . . . ?
C1 B5 B9 B12 -59.3(2) . . . . ?
C1 B5 B10 B6 -38.20(19) . . . . ?
C1 B5 B10 B9 101.4(2) . . . . ?
C1 B5 B10 B11 -1.3(3) . . . . ?
C1 B5 B10 B12 61.9(3) . . . . ?
C1 B6 B10 B5 38.52(19) . . . . ?
C1 B6 B10 B9 0.5(3) . . . . ?
C1 B6 B10 B11 -100.5(2) . . . . ?
C1 B6 B10 B12 -64.6(3) . . . . ?
C1 B6 B11 C2 -33.11(19) . . . . ?
C1 B6 B11 B7 -0.7(3) . . . . ?
C1 B6 B11 B10 100.2(2) . . . . ?
C1 B6 B11 B12 63.7(3) . . . . ?
C2 C1 C13 C14 12.9(3) . . . . ?
C2 C1 B3 Ir4 -149.08(17) . . . . ?
C2 C1 B3 B7 -32.55(18) . . . . ?
C2 C1 B3 B8 -93.5(2) . . . . ?
C2 C1 B5 Ir4 112.59(18) . . . . ?
C2 C1 B5 B6 -38.8(2) . . . . ?
C2 C1 B5 B9 60.0(2) . . . . ?
C2 C1 B5 B10 -1.0(3) . . . . ?
C2 C1 B6 B5 137.5(2) . . . . ?
C2 C1 B6 B10 97.7(2) . . . . ?
C2 C1 B6 B11 33.79(19) . . . . ?
C2 B3 B7 B8 -134.6(2) . . . . ?
C2 B3 B7 B11 -34.25(19) . . . . ?
C2 B3 B7 B12 -97.2(2) . . . . ?
C2 B3 B8 Ir4 -114.58(17) . . . . ?
C2 B3 B8 S1 138.95(19) . . . . ?
C2 B3 B8 B7 37.28(18) . . . . ?
C2 B3 B8 B9 -64.2(2) . . . . ?
C2 B3 B8 B12 -0.5(3) . . . . ?
C2 B6 B10 B5 98.7(2) . . . . ?
C2 B6 B10 B9 60.6(3) . . . . ?
C2 B6 B10 B11 -40.40(19) . . . . ?
C2 B6 B10 B12 -4.4(3) . . . . ?
C2 B6 B11 B7 32.43(19) . . . . ?
C2 B6 B11 B10 133.3(2) . . . . ?
C2 B6 B11 B12 96.8(2) . . . . ?
C2 B7 B8 Ir4 -10.6(3) . . . . ?
C2 B7 B8 S1 -151.30(18) . . . . ?
C2 B7 B8 B3 -39.99(19) . . . . ?
C2 B7 B8 B9 60.8(2) . . . . ?
C2 B7 B8 B12 98.2(2) . . . . ?
C2 B7 B11 B6 -32.84(19) . . . . ?
C2 B7 B11 B10 -95.1(2) . . . . ?
C2 B7 B11 B12 -134.4(2) . . . . ?
C2 B7 B12 B8 -100.3(2) . . . . ?
C2 B7 B12 B9 -62.5(3) . . . . ?
C2 B7 B12 B10 0.6(3) . . . . ?
C2 B7 B12 B11 39.6(2) . . . . ?
C2 B11 B12 B7 -38.75(19) . . . . ?
C2 B11 B12 B8 -2.9(3) . . . . ?
C2 B11 B12 B9 62.0(3) . . . . ?
C2 B11 B12 B10 97.5(2) . . . . ?
C13 C1 C2 C15 2.6(3) . . . . ?
C13 C1 C2 B3 110.2(2) . . . . ?
C13 C1 C2 B6 -106.1(2) . . . . ?
C13 C1 C2 B7 148.6(2) . . . . ?
C13 C1 C2 B11 -142.3(2) . . . . ?
C13 C1 B3 Ir4 117.3(2) . . . . ?
C13 C1 B3 C2 -93.6(2) . . . . ?
C13 C1 B3 B7 -126.1(2) . . . . ?
C13 C1 B3 B8 172.9(2) . . . . ?
C13 C1 B5 Ir4 -114.9(3) . . . . ?
C13 C1 B5 B6 93.7(3) . . . . ?
C13 C1 B5 B9 -167.5(3) . . . . ?
C13 C1 B5 B10 131.5(3) . . . . ?
C13 C1 B6 C2 95.2(2) . . . . ?
C13 C1 B6 B5 -127.3(2) . . . . ?
C13 C1 B6 B10 -167.1(2) . . . . ?
C13 C1 B6 B11 128.9(2) . . . . ?
C13 C14 C15 C2 25.5(3) . . . . ?
C15 C2 B3 Ir4 131.2(2) . . . . ?
C15 C2 B3 C1 98.6(2) . . . . ?
C15 C2 B3 B7 -120.5(3) . . . . ?
C15 C2 B3 B8 -159.1(2) . . . . ?
C15 C2 B6 C1 -97.8(2) . . . . ?
C15 C2 B6 B5 -134.4(2) . . . . ?
C15 C2 B6 B10 161.6(2) . . . . ?
C15 C2 B6 B11 120.4(3) . . . . ?
C15 C2 B7 B3 100.6(3) . . . . ?
C15 C2 B7 B8 140.5(3) . . . . ?
C15 C2 B7 B11 -117.3(3) . . . . ?
C15 C2 B7 B12 -156.8(3) . . . . ?
C15 C2 B11 B6 -100.6(3) . . . . ?
C15 C2 B11 B7 116.6(3) . . . . ?
C15 C2 B11 B10 -140.5(3) . . . . ?
C15 C2 B11 B12 156.8(3) . . . . ?
C18 C19 C20 C21 48.6(4) . . . . ?
C19 C18 C25 C24 -96.6(3) . . . . ?
C19 C20 C21 C22 28.2(3) . . . . ?
C20 C21 C22 Ir4 -10.7(3) . . . . ?
C20 C21 C22 C23 -94.5(3) . . . . ?
C21 C22 C23 Ir4 109.4(2) . . . . ?
C21 C22 C23 C24 4.1(4) . . . . ?
C22 C23 C24 C25 46.2(4) . . . . ?
C23 C24 C25 C18 30.9(3) . . . . ?
C25 C18 C19 Ir4 107.8(3) . . . . ?
C25 C18 C19 C20 3.4(4) . . . . ?
B3 C1 C2 C15 -107.7(2) . . . . ?
B3 C1 C2 B6 143.7(2) . . . . ?
B3 C1 C2 B7 38.3(2) . . . . ?
B3 C1 C2 B11 107.4(2) . . . . ?
B3 C1 C13 C14 77.8(3) . . . . ?
B3 C1 B5 Ir4 46.21(17) . . . . ?
B3 C1 B5 B6 -105.2(2) . . . . ?
B3 C1 B5 B9 -6.4(3) . . . . ?
B3 C1 B5 B10 -67.4(2) . . . . ?
B3 C1 B6 C2 -34.4(2) . . . . ?
B3 C1 B6 B5 103.2(2) . . . . ?
B3 C1 B6 B10 63.4(3) . . . . ?
B3 C1 B6 B11 -0.6(3) . . . . ?
B3 C2 C15 C14 -84.1(3) . . . . ?
B3 C2 B6 C1 35.2(2) . . . . ?
B3 C2 B6 B5 -1.4(3) . . . . ?
B3 C2 B6 B10 -65.4(3) . . . . ?
B3 C2 B6 B11 -106.6(2) . . . . ?
B3 C2 B7 B8 39.94(19) . . . . ?
B3 C2 B7 B11 142.0(2) . . . . ?
B3 C2 B7 B12 102.6(2) . . . . ?
B3 C2 B11 B6 105.4(2) . . . . ?
B3 C2 B11 B7 -37.4(2) . . . . ?
B3 C2 B11 B10 65.5(3) . . . . ?
B3 C2 B11 B12 2.8(3) . . . . ?
B3 B7 B8 Ir4 29.38(18) . . . . ?
B3 B7 B8 S1 -111.3(2) . . . . ?
B3 B7 B8 B9 100.8(2) . . . . ?
B3 B7 B8 B12 138.2(2) . . . . ?
B3 B7 B11 C2 34.49(19) . . . . ?
B3 B7 B11 B6 1.7(3) . . . . ?
B3 B7 B11 B10 -60.6(3) . . . . ?
B3 B7 B11 B12 -99.9(2) . . . . ?
B3 B7 B12 B8 -37.41(19) . . . . ?
B3 B7 B12 B9 0.5(3) . . . . ?
B3 B7 B12 B10 63.6(3) . . . . ?
B3 B7 B12 B11 102.5(2) . . . . ?
B3 B8 B9 Ir4 -50.10(16) . . . . ?
B3 B8 B9 B5 2.9(3) . . . . ?
B3 B8 B9 B10 64.3(2) . . . . ?
B3 B8 B9 B12 102.2(2) . . . . ?
B3 B8 B12 B7 38.1(2) . . . . ?
B3 B8 B12 B9 -100.2(2) . . . . ?
B3 B8 B12 B10 -61.6(3) . . . . ?
B3 B8 B12 B11 2.2(3) . . . . ?
B5 C1 C2 C15 148.0(2) . . . . ?
B5 C1 C2 B3 -104.3(2) . . . . ?
B5 C1 C2 B6 39.4(2) . . . . ?
B5 C1 C2 B7 -66.0(3) . . . . ?
B5 C1 C2 B11 3.1(3) . . . . ?
B5 C1 C13 C14 -121.5(3) . . . . ?
B5 C1 B3 Ir4 -47.33(17) . . . . ?
B5 C1 B3 C2 101.7(2) . . . . ?
B5 C1 B3 B7 69.2(2) . . . . ?
B5 C1 B3 B8 8.2(3) . . . . ?
B5 C1 B6 C2 -137.5(2) . . . . ?
B5 C1 B6 B10 -39.8(2) . . . . ?
B5 C1 B6 B11 -103.8(2) . . . . ?
B5 B6 B10 B9 -38.0(2) . . . . ?
B5 B6 B10 B11 -139.1(2) . . . . ?
B5 B6 B10 B12 -103.1(2) . . . . ?
B5 B6 B11 C2 -95.4(2) . . . . ?
B5 B6 B11 B7 -63.0(3) . . . . ?
B5 B6 B11 B10 37.9(2) . . . . ?
B5 B6 B11 B12 1.4(3) . . . . ?
B5 B9 B10 B6 37.0(2) . . . . ?
B5 B9 B10 B11 101.6(2) . . . . ?
B5 B9 B10 B12 136.8(2) . . . . ?
B5 B9 B12 B7 61.8(2) . . . . ?
B5 B9 B12 B8 99.1(2) . . . . ?
B5 B9 B12 B10 -37.56(19) . . . . ?
B5 B9 B12 B11 -1.9(3) . . . . ?
B5 B10 B11 C2 3.0(3) . . . . ?
B5 B10 B11 B6 -36.9(2) . . . . ?
B5 B10 B11 B7 63.1(3) . . . . ?
B5 B10 B11 B12 102.6(2) . . . . ?
B5 B10 B12 B7 -61.6(3) . . . . ?
B5 B10 B12 B8 1.1(3) . . . . ?
B5 B10 B12 B9 40.3(2) . . . . ?
B5 B10 B12 B11 -100.4(2) . . . . ?
B6 C1 C2 C15 108.6(2) . . . . ?
B6 C1 C2 B3 -143.7(2) . . . . ?
B6 C1 C2 B7 -105.4(2) . . . . ?
B6 C1 C2 B11 -36.3(2) . . . . ?
B6 C1 C13 C14 -50.9(3) . . . . ?
B6 C1 B3 Ir4 -115.01(19) . . . . ?
B6 C1 B3 C2 34.07(19) . . . . ?
B6 C1 B3 B7 1.5(3) . . . . ?
B6 C1 B3 B8 -59.4(3) . . . . ?
B6 C1 B5 Ir4 151.42(18) . . . . ?
B6 C1 B5 B9 98.8(2) . . . . ?
B6 C1 B5 B10 37.82(19) . . . . ?
B6 C2 C15 C14 49.3(3) . . . . ?
B6 C2 B3 Ir4 -2.2(3) . . . . ?
B6 C2 B3 C1 -34.8(2) . . . . ?
B6 C2 B3 B7 106.1(2) . . . . ?
B6 C2 B3 B8 67.5(3) . . . . ?
B6 C2 B7 B3 -106.3(2) . . . . ?
B6 C2 B7 B8 -66.4(3) . . . . ?
B6 C2 B7 B11 35.7(2) . . . . ?
B6 C2 B7 B12 -3.7(3) . . . . ?
B6 C2 B11 B7 -142.8(2) . . . . ?
B6 C2 B11 B10 -39.90(19) . . . . ?
B6 C2 B11 B12 -102.6(2) . . . . ?
B6 B5 B9 Ir4 117.07(18) . . . . ?
B6 B5 B9 B8 64.1(2) . . . . ?
B6 B5 B9 B10 -35.03(19) . . . . ?
B6 B5 B9 B12 2.7(3) . . . . ?
B6 B5 B10 B9 139.6(2) . . . . ?
B6 B5 B10 B11 36.9(2) . . . . ?
B6 B5 B10 B12 100.1(2) . . . . ?
B6 B10 B11 C2 39.84(19) . . . . ?
B6 B10 B11 B7 100.0(2) . . . . ?
B6 B10 B11 B12 139.5(2) . . . . ?
B6 B10 B12 B7 2.4(3) . . . . ?
B6 B10 B12 B8 65.2(3) . . . . ?
B6 B10 B12 B9 104.3(2) . . . . ?
B6 B10 B12 B11 -36.4(2) . . . . ?
B6 B11 B12 B7 -100.3(2) . . . . ?
B6 B11 B12 B8 -64.5(3) . . . . ?
B6 B11 B12 B9 0.4(3) . . . . ?
B6 B11 B12 B10 35.9(2) . . . . ?
B7 C2 C15 C14 -157.7(3) . . . . ?
B7 C2 B3 Ir4 -108.3(2) . . . . ?
B7 C2 B3 C1 -140.9(2) . . . . ?
B7 C2 B3 B8 -38.56(19) . . . . ?
B7 C2 B6 C1 105.8(2) . . . . ?
B7 C2 B6 B5 69.1(3) . . . . ?
B7 C2 B6 B10 5.2(3) . . . . ?
B7 C2 B6 B11 -36.0(2) . . . . ?
B7 C2 B11 B6 142.8(2) . . . . ?
B7 C2 B11 B10 102.9(2) . . . . ?
B7 C2 B11 B12 40.3(2) . . . . ?
B7 B3 B8 Ir4 -151.86(17) . . . . ?
B7 B3 B8 S1 101.7(2) . . . . ?
B7 B3 B8 B9 -101.5(2) . . . . ?
B7 B3 B8 B12 -37.7(2) . . . . ?
B7 B8 B9 Ir4 -114.80(19) . . . . ?
B7 B8 B9 B5 -61.8(2) . . . . ?
B7 B8 B9 B10 -0.4(3) . . . . ?
B7 B8 B9 B12 37.5(2) . . . . ?
B7 B8 B12 B9 -138.3(2) . . . . ?
B7 B8 B12 B10 -99.7(2) . . . . ?
B7 B8 B12 B11 -36.0(2) . . . . ?
B7 B11 B12 B8 35.8(2) . . . . ?
B7 B11 B12 B9 100.8(2) . . . . ?
B7 B11 B12 B10 136.2(2) . . . . ?
B8 B3 B7 C2 134.6(2) . . . . ?
B8 B3 B7 B11 100.4(2) . . . . ?
B8 B3 B7 B12 37.5(2) . . . . ?
B8 B7 B11 C2 98.4(2) . . . . ?
B8 B7 B11 B6 65.5(3) . . . . ?
B8 B7 B11 B10 3.3(3) . . . . ?
B8 B7 B11 B12 -36.0(2) . . . . ?
B8 B7 B12 B9 37.9(2) . . . . ?
B8 B7 B12 B10 101.0(2) . . . . ?
B8 B7 B12 B11 139.9(2) . . . . ?
B8 B9 B10 B5 -99.2(2) . . . . ?
B8 B9 B10 B6 -62.2(3) . . . . ?
B8 B9 B10 B11 2.4(3) . . . . ?
B8 B9 B10 B12 37.62(19) . . . . ?
B8 B9 B12 B7 -37.25(20) . . . . ?
B8 B9 B12 B10 -136.6(2) . . . . ?
B8 B9 B12 B11 -101.0(2) . . . . ?
B9 B5 B6 C1 -100.8(2) . . . . ?
B9 B5 B6 C2 -64.7(2) . . . . ?
B9 B5 B6 B10 35.08(19) . . . . ?
B9 B5 B6 B11 -2.5(3) . . . . ?
B9 B5 B10 B6 -139.6(2) . . . . ?
B9 B5 B10 B11 -102.7(2) . . . . ?
B9 B5 B10 B12 -39.5(2) . . . . ?
B9 B8 B12 B7 138.3(2) . . . . ?
B9 B8 B12 B10 38.6(2) . . . . ?
B9 B8 B12 B11 102.3(2) . . . . ?
B9 B10 B11 C2 -63.7(3) . . . . ?
B9 B10 B11 B6 -103.6(2) . . . . ?
B9 B10 B11 B7 -3.5(3) . . . . ?
B9 B10 B11 B12 35.9(2) . . . . ?
B9 B10 B12 B7 -101.9(2) . . . . ?
B9 B10 B12 B8 -39.2(2) . . . . ?
B9 B10 B12 B11 -140.7(2) . . . . ?
B10 B5 B6 C1 -135.8(2) . . . . ?
B10 B5 B6 C2 -99.8(2) . . . . ?
B10 B5 B6 B11 -37.6(2) . . . . ?
B10 B5 B9 Ir4 152.10(18) . . . . ?
B10 B5 B9 B8 99.1(2) . . . . ?
B10 B5 B9 B12 37.71(19) . . . . ?
B10 B6 B11 C2 -133.3(2) . . . . ?
B10 B6 B11 B7 -100.9(2) . . . . ?
B10 B6 B11 B12 -36.5(2) . . . . ?
B10 B9 B12 B7 99.4(2) . . . . ?
B10 B9 B12 B8 136.6(2) . . . . ?
B10 B9 B12 B11 35.6(2) . . . . ?
B10 B11 B12 B7 -136.2(2) . . . . ?
B10 B11 B12 B8 -100.4(2) . . . . ?
B10 B11 B12 B9 -35.4(2) . . . . ?
B11 C2 C15 C14 121.5(3) . . . . ?
B11 C2 B3 Ir4 -71.2(3) . . . . ?
B11 C2 B3 C1 -103.8(2) . . . . ?
B11 C2 B3 B7 37.1(2) . . . . ?
B11 C2 B3 B8 -1.5(3) . . . . ?
B11 C2 B6 C1 141.8(2) . . . . ?
B11 C2 B6 B5 105.2(2) . . . . ?
B11 C2 B6 B10 41.2(2) . . . . ?
B11 C2 B7 B3 -142.0(2) . . . . ?
B11 C2 B7 B8 -102.1(2) . . . . ?
B11 C2 B7 B12 -39.41(19) . . . . ?
B11 B6 B10 B5 139.1(2) . . . . ?
B11 B6 B10 B9 101.0(2) . . . . ?
B11 B6 B10 B12 36.0(2) . . . . ?
B11 B7 B8 Ir4 -73.2(3) . . . . ?
B11 B7 B8 S1 146.10(19) . . . . ?
B11 B7 B8 B3 -102.6(2) . . . . ?
B11 B7 B8 B9 -1.8(3) . . . . ?
B11 B7 B8 B12 35.6(2) . . . . ?
B11 B7 B12 B8 -139.9(2) . . . . ?
B11 B7 B12 B9 -102.0(2) . . . . ?
B11 B7 B12 B10 -38.9(2) . . . . ?
B11 B10 B12 B7 38.8(2) . . . . ?
B11 B10 B12 B8 101.6(2) . . . . ?
B11 B10 B12 B9 140.7(2) . . . . ?
B12 B7 B8 Ir4 -108.8(2) . . . . ?
B12 B7 B8 S1 110.5(2) . . . . ?
B12 B7 B8 B3 -138.2(2) . . . . ?
B12 B7 B8 B9 -37.4(2) . . . . ?
B12 B7 B11 C2 134.4(2) . . . . ?
B12 B7 B11 B6 101.6(2) . . . . ?
B12 B7 B11 B10 39.3(2) . . . . ?
B12 B8 B9 Ir4 -152.28(18) . . . . ?
B12 B8 B9 B5 -99.3(2) . . . . ?
B12 B8 B9 B10 -37.8(2) . . . . ?
B12 B9 B10 B5 -136.8(2) . . . . ?
B12 B9 B10 B6 -99.8(2) . . . . ?
B12 B9 B10 B11 -35.2(2) . . . . ?
B12 B10 B11 C2 -99.7(2) . . . . ?
B12 B10 B11 B6 -139.5(2) . . . . ?
B12 B10 B11 B7 -39.5(2) . . . . ?
Ir4A C1A C2A C15A -138.85(18) . . . . ?
Ir4A C1A C2A B3A -31.14(16) . . . . ?
Ir4A C1A C2A B6A 112.86(19) . . . . ?
Ir4A C1A C2A B7A 7.2(3) . . . . ?
Ir4A C1A C2A B11A 77.0(2) . . . . ?
Ir4A C1A C13A C14A 151.90(18) . . . . ?
Ir4A C1A B3A C2A 149.29(16) . . . . ?
Ir4A C1A B3A B7A 116.64(17) . . . . ?
Ir4A C1A B3A B8A 55.64(15) . . . . ?
Ir4A C1A B5A B6A -151.33(17) . . . . ?
Ir4A C1A B5A B9A -52.56(15) . . . . ?
Ir4A C1A B5A B10A -113.40(18) . . . . ?
Ir4A C1A B6A C2A -106.2(2) . . . . ?
Ir4A C1A B6A B5A 31.15(18) . . . . ?
Ir4A C1A B6A B10A -8.8(3) . . . . ?
Ir4A C1A B6A B11A -73.0(2) . . . . ?
Ir4A C19A C20A C21A -30.8(3) . . . . ?
Ir4A C19A C27A C25A 107.8(3) . . . . ?
Ir4A C22A C23A C24A -104.1(3) . . . . ?
Ir4A C23A C24A C25A -36.9(3) . . . . ?
Ir4A B3A B7A C2A 105.0(2) . . . . ?
Ir4A B3A B7A B8A -29.07(18) . . . . ?
Ir4A B3A B7A B11A 71.3(2) . . . . ?
Ir4A B3A B7A B12A 8.4(3) . . . . ?
Ir4A B3A B8A S1A -106.22(17) . . . . ?
Ir4A B3A B8A B7A 152.47(17) . . . . ?
Ir4A B3A B8A B9A 50.53(15) . . . . ?
Ir4A B3A B8A B12A 114.86(19) . . . . ?
Ir4A B5A B6A C1A -30.94(18) . . . . ?
Ir4A B5A B6A C2A 5.5(3) . . . . ?
Ir4A B5A B6A B10A 104.7(2) . . . . ?
Ir4A B5A B6A B11A 67.5(3) . . . . ?
Ir4A B5A B9A B8A -52.61(15) . . . . ?
Ir4A B5A B9A B10A -151.29(17) . . . . ?
Ir4A B5A B9A B12A -113.72(17) . . . . ?
Ir4A B5A B10A B6A -110.4(2) . . . . ?
Ir4A B5A B10A B9A 29.06(17) . . . . ?
Ir4A B5A B10A B11A -74.1(2) . . . . ?
Ir4A B5A B10A B12A -10.8(3) . . . . ?
Ir4A B8A B9A B5A 52.67(15) . . . . ?
Ir4A B8A B9A B10A 114.26(18) . . . . ?
Ir4A B8A B9A B12A 151.52(17) . . . . ?
Ir4A B8A B12A B7A 108.7(2) . . . . ?
Ir4A B8A B12A B9A -30.07(18) . . . . ?
Ir4A B8A B12A B10A 8.1(3) . . . . ?
Ir4A B8A B12A B11A 72.3(2) . . . . ?
Ir4A B9A B10A B5A -29.70(17) . . . . ?
Ir4A B9A B10A B6A 7.4(3) . . . . ?
Ir4A B9A B10A B11A 71.8(2) . . . . ?
Ir4A B9A B10A B12A 107.0(2) . . . . ?
Ir4A B9A B12A B7A -7.8(3) . . . . ?
Ir4A B9A B12A B8A 29.31(17) . . . . ?
Ir4A B9A B12A B10A -107.8(2) . . . . ?
Ir4A B9A B12A B11A -72.1(2) . . . . ?
S1A B8A B9A Ir4A 104.5(2) . . . . ?
S1A B8A B9A B5A 157.16(19) . . . . ?
S1A B8A B9A B10A -141.2(2) . . . . ?
S1A B8A B9A B12A -104.0(2) . . . . ?
S1A B8A B12A B7A -101.8(2) . . . . ?
S1A B8A B12A B9A 119.4(2) . . . . ?
S1A B8A B12A B10A 157.58(18) . . . . ?
S1A B8A B12A B11A -138.20(19) . . . . ?
C1A C2A C15A C14A -17.8(3) . . . . ?
C1A C2A B3A Ir4A 32.33(17) . . . . ?
C1A C2A B3A B7A 140.9(2) . . . . ?
C1A C2A B3A B8A 101.9(2) . . . . ?
C1A C2A B6A B5A -37.00(18) . . . . ?
C1A C2A B6A B10A -100.9(2) . . . . ?
C1A C2A B6A B11A -142.3(2) . . . . ?
C1A C2A B7A B3A -38.09(19) . . . . ?
C1A C2A B7A B8A 2.5(3) . . . . ?
C1A C2A B7A B11A 104.4(2) . . . . ?
C1A C2A B7A B12A 64.9(2) . . . . ?
C1A C2A B11A B6A 35.57(19) . . . . ?
C1A C2A B11A B7A -106.9(2) . . . . ?
C1A C2A B11A B10A -4.6(3) . . . . ?
C1A C2A B11A B12A -66.8(2) . . . . ?
C1A C13A C14A C15A -25.4(3) . . . . ?
C1A B3A B7A C2A 32.44(17) . . . . ?
C1A B3A B7A B8A -101.6(2) . . . . ?
C1A B3A B7A B11A -1.2(2) . . . . ?
C1A B3A B7A B12A -64.1(2) . . . . ?
C1A B3A B8A Ir4A -56.94(15) . . . . ?
C1A B3A B8A S1A -163.16(17) . . . . ?
C1A B3A B8A B7A 95.5(2) . . . . ?
C1A B3A B8A B9A -6.4(2) . . . . ?
C1A B3A B8A B12A 57.9(2) . . . . ?
C1A B5A B6A C2A 36.44(18) . . . . ?
C1A B5A B6A B10A 135.7(2) . . . . ?
C1A B5A B6A B11A 98.4(2) . . . . ?
C1A B5A B9A Ir4A 54.62(15) . . . . ?
C1A B5A B9A B8A 2.0(2) . . . . ?
C1A B5A B9A B10A -96.7(2) . . . . ?
C1A B5A B9A B12A -59.1(2) . . . . ?
C1A B5A B10A B6A -38.07(18) . . . . ?
C1A B5A B10A B9A 101.4(2) . . . . ?
C1A B5A B10A B11A -1.7(3) . . . . ?
C1A B5A B10A B12A 61.6(2) . . . . ?
C1A B6A B10A B5A 38.82(19) . . . . ?
C1A B6A B10A B9A 0.7(3) . . . . ?
C1A B6A B10A B11A -100.8(2) . . . . ?
C1A B6A B10A B12A -64.7(2) . . . . ?
C1A B6A B11A C2A -32.82(18) . . . . ?
C1A B6A B11A B7A -0.1(3) . . . . ?
C1A B6A B11A B10A 100.2(2) . . . . ?
C1A B6A B11A B12A 63.7(2) . . . . ?
C2A C1A C13A C14A 13.5(3) . . . . ?
C2A C1A B3A Ir4A -149.29(16) . . . . ?
C2A C1A B3A B7A -32.64(17) . . . . ?
C2A C1A B3A B8A -93.6(2) . . . . ?
C2A C1A B5A Ir4A 112.28(17) . . . . ?
C2A C1A B5A B6A -39.05(19) . . . . ?
C2A C1A B5A B9A 59.7(2) . . . . ?
C2A C1A B5A B10A -1.1(3) . . . . ?
C2A C1A B6A B5A 137.3(2) . . . . ?
C2A C1A B6A B10A 97.4(2) . . . . ?
C2A C1A B6A B11A 33.25(18) . . . . ?
C2A B3A B7A B8A -134.0(2) . . . . ?
C2A B3A B7A B11A -33.64(19) . . . . ?
C2A B3A B7A B12A -96.6(2) . . . . ?
C2A B3A B8A Ir4A -114.69(17) . . . . ?
C2A B3A B8A S1A 139.09(18) . . . . ?
C2A B3A B8A B7A 37.77(18) . . . . ?
C2A B3A B8A B9A -64.2(2) . . . . ?
C2A B3A B8A B12A 0.2(2) . . . . ?
C2A B6A B10A B5A 99.2(2) . . . . ?
C2A B6A B10A B9A 61.1(2) . . . . ?
C2A B6A B10A B11A -40.43(18) . . . . ?
C2A B6A B10A B12A -4.3(3) . . . . ?
C2A B6A B11A B7A 32.69(18) . . . . ?
C2A B6A B11A B10A 133.0(2) . . . . ?
C2A B6A B11A B12A 96.5(2) . . . . ?
C2A B7A B8A Ir4A -11.8(3) . . . . ?
C2A B7A B8A S1A -152.38(17) . . . . ?
C2A B7A B8A B3A -40.37(18) . . . . ?
C2A B7A B8A B9A 60.4(2) . . . . ?
C2A B7A B8A B12A 97.8(2) . . . . ?
C2A B7A B11A B6A -33.15(19) . . . . ?
C2A B7A B11A B10A -95.3(2) . . . . ?
C2A B7A B11A B12A -134.2(2) . . . . ?
C2A B7A B12A B8A -100.4(2) . . . . ?
C2A B7A B12A B9A -62.9(2) . . . . ?
C2A B7A B12A B10A 0.3(3) . . . . ?
C2A B7A B12A B11A 39.45(19) . . . . ?
C2A B11A B12A B7A -38.80(18) . . . . ?
C2A B11A B12A B8A -2.6(3) . . . . ?
C2A B11A B12A B9A 62.2(2) . . . . ?
C2A B11A B12A B10A 97.6(2) . . . . ?
C13A C1A C2A C15A 2.8(3) . . . . ?
C13A C1A C2A B3A 110.5(2) . . . . ?
C13A C1A C2A B6A -105.5(2) . . . . ?
C13A C1A C2A B7A 148.9(2) . . . . ?
C13A C1A C2A B11A -141.4(2) . . . . ?
C13A C1A B3A Ir4A 117.5(2) . . . . ?
C13A C1A B3A C2A -93.2(2) . . . . ?
C13A C1A B3A B7A -125.9(2) . . . . ?
C13A C1A B3A B8A 173.1(2) . . . . ?
C13A C1A B5A Ir4A -115.5(3) . . . . ?
C13A C1A B5A B6A 93.2(3) . . . . ?
C13A C1A B5A B9A -168.1(2) . . . . ?
C13A C1A B5A B10A 131.1(3) . . . . ?
C13A C1A B6A C2A 95.4(2) . . . . ?
C13A C1A B6A B5A -127.3(2) . . . . ?
C13A C1A B6A B10A -167.2(2) . . . . ?
C13A C1A B6A B11A 128.6(2) . . . . ?
C13A C14A C15A C2A 26.6(3) . . . . ?
C15A C2A B3A Ir4A 131.1(2) . . . . ?
C15A C2A B3A C1A 98.8(2) . . . . ?
C15A C2A B3A B7A -120.3(2) . . . . ?
C15A C2A B3A B8A -159.3(2) . . . . ?
C15A C2A B6A C1A -97.9(2) . . . . ?
C15A C2A B6A B5A -134.9(2) . . . . ?
C15A C2A B6A B10A 161.2(2) . . . . ?
C15A C2A B6A B11A 119.8(2) . . . . ?
C15A C2A B7A B3A 100.7(3) . . . . ?
C15A C2A B7A B8A 141.3(2) . . . . ?
C15A C2A B7A B11A -116.8(3) . . . . ?
C15A C2A B7A B12A -156.3(2) . . . . ?
C15A C2A B11A B6A -100.7(3) . . . . ?
C15A C2A B11A B7A 116.8(3) . . . . ?
C15A C2A B11A B10A -140.9(3) . . . . ?
C15A C2A B11A B12A 156.9(2) . . . . ?
C19A C20A C21A C22A 26.1(3) . . . . ?
C20A C19A C27A Ir4A -105.2(2) . . . . ?
C20A C19A C27A C25A 2.6(4) . . . . ?
C20A C21A C22A Ir4A -9.7(3) . . . . ?
C20A C21A C22A C23A -93.4(3) . . . . ?
C21A C22A C23A Ir4A 109.3(2) . . . . ?
C21A C22A C23A C24A 5.3(4) . . . . ?
C22A C23A C24A C25A 44.2(4) . . . . ?
C23A C24A C25A C27A 32.7(3) . . . . ?
C24A C25A C27A Ir4A -14.3(3) . . . . ?
C24A C25A C27A C19A -97.3(3) . . . . ?
C27A C19A C20A C21A 50.5(3) . . . . ?
B3A C1A C2A C15A -107.7(2) . . . . ?
B3A C1A C2A B6A 144.0(2) . . . . ?
B3A C1A C2A B7A 38.4(2) . . . . ?
B3A C1A C2A B11A 108.1(2) . . . . ?
B3A C1A C13A C14A 78.0(3) . . . . ?
B3A C1A B5A Ir4A 46.32(16) . . . . ?
B3A C1A B5A B6A -105.0(2) . . . . ?
B3A C1A B5A B9A -6.2(3) . . . . ?
B3A C1A B5A B10A -67.1(2) . . . . ?
B3A C1A B6A C2A -33.92(19) . . . . ?
B3A C1A B6A B5A 103.4(2) . . . . ?
B3A C1A B6A B10A 63.5(2) . . . . ?
B3A C1A B6A B11A -0.7(3) . . . . ?
B3A C2A C15A C14A -85.3(3) . . . . ?
B3A C2A B6A C1A 35.0(2) . . . . ?
B3A C2A B6A B5A -2.0(3) . . . . ?
B3A C2A B6A B10A -65.9(3) . . . . ?
B3A C2A B6A B11A -107.3(2) . . . . ?
B3A C2A B7A B8A 40.55(18) . . . . ?
B3A C2A B7A B11A 142.5(2) . . . . ?
B3A C2A B7A B12A 103.0(2) . . . . ?
B3A C2A B11A B6A 105.3(2) . . . . ?
B3A C2A B11A B7A -37.2(2) . . . . ?
B3A C2A B11A B10A 65.1(3) . . . . ?
B3A C2A B11A B12A 2.9(3) . . . . ?
B3A B7A B8A Ir4A 28.60(17) . . . . ?
B3A B7A B8A S1A -112.0(2) . . . . ?
B3A B7A B8A B9A 100.8(2) . . . . ?
B3A B7A B8A B12A 138.2(2) . . . . ?
B3A B7A B11A C2A 34.01(19) . . . . ?
B3A B7A B11A B6A 0.9(3) . . . . ?
B3A B7A B11A B10A -61.3(3) . . . . ?
B3A B7A B11A B12A -100.2(2) . . . . ?
B3A B7A B12A B8A -37.63(19) . . . . ?
B3A B7A B12A B9A -0.2(3) . . . . ?
B3A B7A B12A B10A 63.1(2) . . . . ?
B3A B7A B12A B11A 102.2(2) . . . . ?
B3A B8A B9A Ir4A -49.89(15) . . . . ?
B3A B8A B9A B5A 2.8(2) . . . . ?
B3A B8A B9A B10A 64.4(2) . . . . ?
B3A B8A B9A B12A 101.6(2) . . . . ?
B3A B8A B12A B7A 37.90(19) . . . . ?
B3A B8A B12A B9A -100.9(2) . . . . ?
B3A B8A B12A B10A -62.7(2) . . . . ?
B3A B8A B12A B11A 1.5(3) . . . . ?
B5A C1A C2A C15A 148.0(2) . . . . ?
B5A C1A C2A B3A -104.3(2) . . . . ?
B5A C1A C2A B6A 39.66(19) . . . . ?
B5A C1A C2A B7A -66.0(3) . . . . ?
B5A C1A C2A B11A 3.8(3) . . . . ?
B5A C1A C13A C14A -120.6(3) . . . . ?
B5A C1A B3A Ir4A -47.64(17) . . . . ?
B5A C1A B3A C2A 101.6(2) . . . . ?
B5A C1A B3A B7A 69.0(2) . . . . ?
B5A C1A B3A B8A 8.0(3) . . . . ?
B5A C1A B6A C2A -137.3(2) . . . . ?
B5A C1A B6A B10A -39.9(2) . . . . ?
B5A C1A B6A B11A -104.1(2) . . . . ?
B5A B6A B10A B9A -38.1(2) . . . . ?
B5A B6A B10A B11A -139.6(2) . . . . ?
B5A B6A B10A B12A -103.5(2) . . . . ?
B5A B6A B11A C2A -95.6(2) . . . . ?
B5A B6A B11A B7A -62.9(3) . . . . ?
B5A B6A B11A B10A 37.4(2) . . . . ?
B5A B6A B11A B12A 0.9(3) . . . . ?
B5A B9A B10A B6A 37.07(19) . . . . ?
B5A B9A B10A B11A 101.5(2) . . . . ?
B5A B9A B10A B12A 136.7(2) . . . . ?
B5A B9A B12A B7A 62.4(2) . . . . ?
B5A B9A B12A B8A 99.4(2) . . . . ?
B5A B9A B12A B10A -37.62(18) . . . . ?
B5A B9A B12A B11A -1.9(3) . . . . ?
B5A B10A B11A C2A 3.7(3) . . . . ?
B5A B10A B11A B6A -36.41(19) . . . . ?
B5A B10A B11A B7A 63.8(3) . . . . ?
B5A B10A B11A B12A 102.8(2) . . . . ?
B5A B10A B12A B7A -61.5(2) . . . . ?
B5A B10A B12A B8A 1.8(3) . . . . ?
B5A B10A B12A B9A 40.41(19) . . . . ?
B5A B10A B12A B11A -100.5(2) . . . . ?
B6A C1A C2A C15A 108.3(2) . . . . ?
B6A C1A C2A B3A -144.0(2) . . . . ?
B6A C1A C2A B7A -105.6(2) . . . . ?
B6A C1A C2A B11A -35.9(2) . . . . ?
B6A C1A C13A C14A -50.3(3) . . . . ?
B6A C1A B3A Ir4A -115.48(18) . . . . ?
B6A C1A B3A C2A 33.80(19) . . . . ?
B6A C1A B3A B7A 1.2(3) . . . . ?
B6A C1A B3A B8A -59.8(2) . . . . ?
B6A C1A B5A Ir4A 151.33(17) . . . . ?
B6A C1A B5A B9A 98.8(2) . . . . ?
B6A C1A B5A B10A 37.93(19) . . . . ?
B6A C2A C15A C14A 48.1(3) . . . . ?
B6A C2A B3A Ir4A -2.1(3) . . . . ?
B6A C2A B3A C1A -34.46(19) . . . . ?
B6A C2A B3A B7A 106.4(2) . . . . ?
B6A C2A B3A B8A 67.4(2) . . . . ?
B6A C2A B7A B3A -106.2(2) . . . . ?
B6A C2A B7A B8A -65.7(2) . . . . ?
B6A C2A B7A B11A 36.3(2) . . . . ?
B6A C2A B7A B12A -3.3(3) . . . . ?
B6A C2A B11A B7A -142.5(2) . . . . ?
B6A C2A B11A B10A -40.18(18) . . . . ?
B6A C2A B11A B12A -102.4(2) . . . . ?
B6A B5A B9A Ir4A 116.12(18) . . . . ?
B6A B5A B9A B8A 63.5(2) . . . . ?
B6A B5A B9A B10A -35.17(18) . . . . ?
B6A B5A B9A B12A 2.4(2) . . . . ?
B6A B5A B10A B9A 139.5(2) . . . . ?
B6A B5A B10A B11A 36.4(2) . . . . ?
B6A B5A B10A B12A 99.6(2) . . . . ?
B6A B10A B11A C2A 40.14(18) . . . . ?
B6A B10A B11A B7A 100.2(2) . . . . ?
B6A B10A B11A B12A 139.2(2) . . . . ?
B6A B10A B12A B7A 2.5(3) . . . . ?
B6A B10A B12A B8A 65.8(2) . . . . ?
B6A B10A B12A B9A 104.4(2) . . . . ?
B6A B10A B12A B11A -36.48(19) . . . . ?
B6A B11A B12A B7A -100.4(2) . . . . ?
B6A B11A B12A B8A -64.1(3) . . . . ?
B6A B11A B12A B9A 0.7(3) . . . . ?
B6A B11A B12A B10A 36.04(19) . . . . ?
B7A C2A C15A C14A -158.8(2) . . . . ?
B7A C2A B3A Ir4A -108.6(2) . . . . ?
B7A C2A B3A C1A -140.9(2) . . . . ?
B7A C2A B3A B8A -39.00(18) . . . . ?
B7A C2A B6A C1A 105.7(2) . . . . ?
B7A C2A B6A B5A 68.7(3) . . . . ?
B7A C2A B6A B10A 4.8(3) . . . . ?
B7A C2A B6A B11A -36.6(2) . . . . ?
B7A C2A B11A B6A 142.5(2) . . . . ?
B7A C2A B11A B10A 102.3(2) . . . . ?
B7A C2A B11A B12A 40.11(19) . . . . ?
B7A B3A B8A Ir4A -152.47(17) . . . . ?
B7A B3A B8A S1A 101.3(2) . . . . ?
B7A B3A B8A B9A -101.9(2) . . . . ?
B7A B3A B8A B12A -37.60(19) . . . . ?
B7A B8A B9A Ir4A -114.37(18) . . . . ?
B7A B8A B9A B5A -61.7(2) . . . . ?
B7A B8A B9A B10A -0.1(3) . . . . ?
B7A B8A B9A B12A 37.14(19) . . . . ?
B7A B8A B12A B9A -138.8(2) . . . . ?
B7A B8A B12A B10A -100.6(2) . . . . ?
B7A B8A B12A B11A -36.4(2) . . . . ?
B7A B11A B12A B8A 36.2(2) . . . . ?
B7A B11A B12A B9A 101.0(2) . . . . ?
B7A B11A B12A B10A 136.4(2) . . . . ?
B8A B3A B7A C2A 134.0(2) . . . . ?
B8A B3A B7A B11A 100.4(2) . . . . ?
B8A B3A B7A B12A 37.46(19) . . . . ?
B8A B7A B11A C2A 98.2(2) . . . . ?
B8A B7A B11A B6A 65.0(2) . . . . ?
B8A B7A B11A B10A 2.8(3) . . . . ?
B8A B7A B11A B12A -36.03(19) . . . . ?
B8A B7A B12A B9A 37.43(19) . . . . ?
B8A B7A B12A B10A 100.7(2) . . . . ?
B8A B7A B12A B11A 139.8(2) . . . . ?
B8A B9A B10A B5A -99.7(2) . . . . ?
B8A B9A B10A B6A -62.6(3) . . . . ?
B8A B9A B10A B11A 1.9(3) . . . . ?
B8A B9A B10A B12A 37.08(18) . . . . ?
B8A B9A B12A B7A -37.07(19) . . . . ?
B8A B9A B12A B10A -137.1(2) . . . . ?
B8A B9A B12A B11A -101.4(2) . . . . ?
B9A B5A B6A C1A -100.5(2) . . . . ?
B9A B5A B6A C2A -64.0(2) . . . . ?
B9A B5A B6A B10A 35.16(18) . . . . ?
B9A B5A B6A B11A -2.1(3) . . . . ?
B9A B5A B10A B6A -139.5(2) . . . . ?
B9A B5A B10A B11A -103.1(2) . . . . ?
B9A B5A B10A B12A -39.86(19) . . . . ?
B9A B8A B12A B7A 138.8(2) . . . . ?
B9A B8A B12A B10A 38.16(19) . . . . ?
B9A B8A B12A B11A 102.4(2) . . . . ?
B9A B10A B11A C2A -63.0(2) . . . . ?
B9A B10A B11A B6A -103.2(2) . . . . ?
B9A B10A B11A B7A -2.9(3) . . . . ?
B9A B10A B11A B12A 36.0(2) . . . . ?
B9A B10A B12A B7A -101.9(2) . . . . ?
B9A B10A B12A B8A -38.63(19) . . . . ?
B9A B10A B12A B11A -140.9(2) . . . . ?
B10A B5A B6A C1A -135.7(2) . . . . ?
B10A B5A B6A C2A -99.2(2) . . . . ?
B10A B5A B6A B11A -37.2(2) . . . . ?
B10A B5A B9A Ir4A 151.29(17) . . . . ?
B10A B5A B9A B8A 98.7(2) . . . . ?
B10A B5A B9A B12A 37.57(18) . . . . ?
B10A B6A B11A C2A -133.0(2) . . . . ?
B10A B6A B11A B7A -100.3(2) . . . . ?
B10A B6A B11A B12A -36.53(19) . . . . ?
B10A B9A B12A B7A 100.0(2) . . . . ?
B10A B9A B12A B8A 137.1(2) . . . . ?
B10A B9A B12A B11A 35.70(19) . . . . ?
B10A B11A B12A B7A -136.4(2) . . . . ?
B10A B11A B12A B8A -100.2(2) . . . . ?
B10A B11A B12A B9A -35.35(19) . . . . ?
B11A C2A C15A C14A 120.2(3) . . . . ?
B11A C2A B3A Ir4A -71.5(2) . . . . ?
B11A C2A B3A C1A -103.9(2) . . . . ?
B11A C2A B3A B7A 37.0(2) . . . . ?
B11A C2A B3A B8A -2.0(3) . . . . ?
B11A C2A B6A C1A 142.3(2) . . . . ?
B11A C2A B6A B5A 105.3(2) . . . . ?
B11A C2A B6A B10A 41.46(19) . . . . ?
B11A C2A B7A B3A -142.5(2) . . . . ?
B11A C2A B7A B8A -101.9(2) . . . . ?
B11A C2A B7A B12A -39.52(18) . . . . ?
B11A B6A B10A B5A 139.6(2) . . . . ?
B11A B6A B10A B9A 101.5(2) . . . . ?
B11A B6A B10A B12A 36.16(19) . . . . ?
B11A B7A B8A Ir4A -73.9(2) . . . . ?
B11A B7A B8A S1A 145.54(18) . . . . ?
B11A B7A B8A B3A -102.5(2) . . . . ?
B11A B7A B8A B9A -1.7(3) . . . . ?
B11A B7A B8A B12A 35.71(19) . . . . ?
B11A B7A B12A B8A -139.8(2) . . . . ?
B11A B7A B12A B9A -102.4(2) . . . . ?
B11A B7A B12A B10A -39.11(19) . . . . ?
B11A B10A B12A B7A 38.98(19) . . . . ?
B11A B10A B12A B8A 102.3(2) . . . . ?
B11A B10A B12A B9A 140.9(2) . . . . ?
B12A B7A B8A Ir4A -109.6(2) . . . . ?
B12A B7A B8A S1A 109.8(2) . . . . ?
B12A B7A B8A B3A -138.2(2) . . . . ?
B12A B7A B8A B9A -37.40(19) . . . . ?
B12A B7A B11A C2A 134.2(2) . . . . ?
B12A B7A B11A B6A 101.1(2) . . . . ?
B12A B7A B11A B10A 38.85(19) . . . . ?
B12A B8A B9A Ir4A -151.52(17) . . . . ?
B12A B8A B9A B5A -98.8(2) . . . . ?
B12A B8A B9A B10A -37.25(19) . . . . ?
B12A B9A B10A B5A -136.7(2) . . . . ?
B12A B9A B10A B6A -99.7(2) . . . . ?
B12A B9A B10A B11A -35.20(19) . . . . ?
B12A B10A B11A C2A -99.1(2) . . . . ?
B12A B10A B11A B6A -139.2(2) . . . . ?
B12A B10A B11A B7A -38.99(19) . . . . ?
