# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 1828008'
_audit_update_record             
;
2018-03-07 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2018-02-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H27 B9 Ir'
_chemical_formula_sum            'C17 H27 B9 Ir'
_chemical_formula_weight         520.87
_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
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'

_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      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   18.887(3)
_cell_length_b                   43.501(6)
_cell_length_c                   9.4381(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7754.4(19)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    7769
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.351
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.886
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4016
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0190
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8793
_diffrn_reflns_point_group_measured_fraction_full 0.938
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.433
_diffrn_reflns_theta_min         1.873
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.763
_reflns_Friedel_fraction_full    0.870
_reflns_Friedel_fraction_max     0.868
_reflns_number_gt                3299
_reflns_number_total             3365
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 
;
 Flack x determined using 1376 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.015(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3365
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0174
_refine_ls_restrained_S_all      1.130
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+56.5740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0440
_refine_ls_wR_factor_ref         0.0442
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C3) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Ternary CH refined with riding coordinates:
 C3(H3A), C10(H10), C11(H11), C14(H14), C15(H15)
3.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C13(H13A,H13B), C16(H16A,H16B), C17(H17A,H17B)
3.c Aromatic/amide H refined with riding coordinates:
 C5(H5A), C6(H6A), C7(H7A), C8(H8A), C9(H9A)
3.d Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 -0.41159(2) -0.32210(2) -1.06836(4) 0.01305(7) Uani 1 1 d . . . . .
B1 B -0.2846(5) -0.31179(19) -1.3938(10) 0.0212(18) Uani 1 1 d . . . . .
H1 H -0.2523 -0.3079 -1.4917 0.025 Uiso 1 1 calc R . . . .
B2 B -0.3229(4) -0.27963(18) -1.3078(12) 0.0203(17) Uani 1 1 d . . . . .
H2 H -0.3151 -0.2558 -1.3495 0.024 Uiso 1 1 calc R . . . .
B3 B -0.3810(5) -0.30865(19) -1.3920(10) 0.0221(18) Uani 1 1 d . . . . .
H3 H -0.4169 -0.3032 -1.4829 0.027 Uiso 1 1 calc R . . . .
B4 B -0.3379(4) -0.34501(19) -1.3767(9) 0.0205(18) Uani 1 1 d . . . . .
H4 H -0.3385 -0.3623 -1.4646 0.025 Uiso 1 1 calc R . . . .
B5 B -0.2628(5) -0.3405(2) -1.2657(9) 0.0229(19) Uani 1 1 d . . . . .
H5 H -0.2149 -0.3554 -1.2770 0.027 Uiso 1 1 calc R . . . .
B6 B -0.2532(4) -0.30134(18) -1.2232(9) 0.0176(17) Uani 1 1 d . . . . .
H6 H -0.1994 -0.2911 -1.2063 0.021 Uiso 1 1 calc R . . . .
B7 B -0.3442(4) -0.35585(18) -1.1906(9) 0.0178(16) Uani 1 1 d . . . . .
H7 H -0.3481 -0.3801 -1.1509 0.021 Uiso 1 1 calc R . . . .
B8 B -0.2924(4) -0.32777(18) -1.0953(9) 0.0186(19) Uani 1 1 d . . . . .
H8 H -0.2645 -0.3348 -0.9957 0.022 Uiso 1 1 calc R . . . .
B9 B -0.3262(4) -0.28891(18) -1.1211(8) 0.0163(16) Uani 1 1 d . . . . .
H9 H -0.3180 -0.2714 -1.0356 0.020 Uiso 1 1 calc R . . . .
C1 C -0.4091(4) -0.33795(17) -1.2831(8) 0.0184(17) Uani 1 1 d . . . . .
C2 C -0.3978(4) -0.29001(16) -1.2358(8) 0.0186(15) Uani 1 1 d . . . . .
C3 C -0.4614(4) -0.27954(15) -1.1730(7) 0.0164(14) Uani 1 1 d . U . . .
H3A H -0.4532 -0.2606 -1.1149 0.020 Uiso 1 1 calc R . . . .
C4 C -0.5346(4) -0.28088(15) -1.2267(8) 0.0195(15) Uani 1 1 d . . . . .
C5 C -0.5566(4) -0.29600(16) -1.3499(8) 0.0250(18) Uani 1 1 d . . . . .
H5A H -0.5226 -0.3063 -1.4070 0.030 Uiso 1 1 calc R . . . .
C6 C -0.6268(4) -0.29622(18) -1.3896(9) 0.0320(19) Uani 1 1 d . . . . .
H6A H -0.6406 -0.3066 -1.4737 0.038 Uiso 1 1 calc R . . . .
C7 C -0.6774(3) -0.28138(16) -1.3081(12) 0.0305(18) Uani 1 1 d . . . . .
H7A H -0.7259 -0.2818 -1.3348 0.037 Uiso 1 1 calc R . . . .
C8 C -0.6558(4) -0.26582(18) -1.1860(9) 0.0295(18) Uani 1 1 d . . . . .
H8A H -0.6898 -0.2553 -1.1297 0.035 Uiso 1 1 calc R . . . .
C9 C -0.5862(4) -0.26567(16) -1.1473(8) 0.0225(16) Uani 1 1 d . . . . .
H9A H -0.5725 -0.2549 -1.0641 0.027 Uiso 1 1 calc R . . . .
C10 C -0.4310(4) -0.29976(17) -0.8639(8) 0.0224(17) Uani 1 1 d . . . . .
H10 H -0.4048 -0.2800 -0.8509 0.027 Uiso 1 1 calc R . . . .
C11 C -0.3897(4) -0.32612(17) -0.8389(9) 0.0250(16) Uani 1 1 d . . . . .
H11 H -0.3395 -0.3217 -0.8117 0.030 Uiso 1 1 calc R . . . .
C12 C -0.4206(4) -0.3554(2) -0.7723(8) 0.0312(19) Uani 1 1 d . . . . .
H12A H -0.3842 -0.3650 -0.7112 0.037 Uiso 1 1 calc R . . . .
H12B H -0.4613 -0.3497 -0.7116 0.037 Uiso 1 1 calc R . . . .
C13 C -0.4447(4) -0.37846(17) -0.8825(9) 0.0264(17) Uani 1 1 d . . . . .
H13A H -0.4042 -0.3919 -0.9080 0.032 Uiso 1 1 calc R . . . .
H13B H -0.4820 -0.3916 -0.8409 0.032 Uiso 1 1 calc R . . . .
C14 C -0.4729(4) -0.36367(16) -1.0146(8) 0.0192(16) Uani 1 1 d . . . . .
H14 H -0.4786 -0.3783 -1.0956 0.023 Uiso 1 1 calc R . . . .
C15 C -0.5196(4) -0.33860(16) -1.0195(8) 0.0208(16) Uani 1 1 d . . . . .
H15 H -0.5517 -0.3389 -1.1038 0.025 Uiso 1 1 calc R . . . .
C16 C -0.5527(4) -0.32392(17) -0.8897(8) 0.0259(17) Uani 1 1 d . . . . .
H16A H -0.5595 -0.3399 -0.8161 0.031 Uiso 1 1 calc R . . . .
H16B H -0.6000 -0.3158 -0.9153 0.031 Uiso 1 1 calc R . . . .
C17 C -0.5085(4) -0.29784(14) -0.8279(11) 0.0251(15) Uani 1 1 d . . . . .
H17A H -0.5273 -0.2780 -0.8633 0.030 Uiso 1 1 calc R . . . .
H17B H -0.5137 -0.2979 -0.7235 0.030 Uiso 1 1 calc R . . . .


_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 B7 2.260(8) . ?
Ir1 B8 2.280(8) . ?
Ir1 B9 2.222(8) . ?
Ir1 C1 2.141(7) . ?
Ir1 C2 2.125(7) . ?
Ir1 C3 2.299(7) . ?
Ir1 C10 2.192(7) . ?
Ir1 C11 2.212(8) . ?
Ir1 C14 2.207(7) . ?
Ir1 C15 2.211(7) . ?
B1 B2 1.772(12) . ?
B1 B3 1.826(13) . ?
B1 B4 1.768(12) . ?
B1 B5 1.785(13) . ?
B1 B6 1.775(12) . ?
B2 B3 1.852(12) . ?
B2 B6 1.806(12) . ?
B2 B9 1.809(14) . ?
B2 C2 1.633(10) . ?
B3 B4 1.784(12) . ?
B3 C1 1.722(12) . ?
B3 C2 1.713(11) . ?
B4 B5 1.774(12) . ?
B4 B7 1.823(13) . ?
B4 C1 1.638(11) . ?
B5 B6 1.758(12) . ?
B5 B7 1.820(12) . ?
B5 B8 1.789(12) . ?
B6 B8 1.824(11) . ?
B6 B9 1.767(11) . ?
B7 B8 1.806(11) . ?
B7 C1 1.694(11) . ?
B8 B9 1.823(11) . ?
B9 C2 1.733(10) . ?
C2 C3 1.414(10) . ?
C3 C4 1.474(10) . ?
C4 C5 1.399(10) . ?
C4 C9 1.396(10) . ?
C5 C6 1.377(11) . ?
C6 C7 1.386(13) . ?
C7 C8 1.397(14) . ?
C8 C9 1.365(11) . ?
C10 C11 1.407(11) . ?
C10 C17 1.504(11) . ?
C11 C12 1.534(11) . ?
C12 C13 1.516(12) . ?
C13 C14 1.501(10) . ?
C14 C15 1.402(10) . ?
C15 C16 1.517(10) . ?
C16 C17 1.525(10) . ?

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
B7 Ir1 B8 46.9(3) . . ?
B7 Ir1 C3 122.3(3) . . ?
B8 Ir1 C3 116.3(3) . . ?
B9 Ir1 B7 84.2(3) . . ?
B9 Ir1 B8 47.8(3) . . ?
B9 Ir1 C3 71.2(3) . . ?
C1 Ir1 B7 45.2(3) . . ?
C1 Ir1 B8 80.6(3) . . ?
C1 Ir1 B9 88.9(3) . . ?
C1 Ir1 C3 82.1(3) . . ?
C1 Ir1 C10 168.5(3) . . ?
C1 Ir1 C11 153.8(3) . . ?
C1 Ir1 C14 88.0(3) . . ?
C1 Ir1 C15 96.5(3) . . ?
C2 Ir1 B7 88.7(3) . . ?
C2 Ir1 B8 82.3(3) . . ?
C2 Ir1 B9 46.9(3) . . ?
C2 Ir1 C1 60.3(3) . . ?
C2 Ir1 C3 37.0(3) . . ?
C2 Ir1 C10 112.6(3) . . ?
C2 Ir1 C11 139.2(3) . . ?
C2 Ir1 C14 140.7(3) . . ?
C2 Ir1 C15 118.8(3) . . ?
C10 Ir1 B7 146.3(3) . . ?
C10 Ir1 B8 108.2(3) . . ?
C10 Ir1 B9 91.7(3) . . ?
C10 Ir1 C3 87.3(3) . . ?
C10 Ir1 C11 37.3(3) . . ?
C10 Ir1 C14 94.2(3) . . ?
C10 Ir1 C15 78.8(3) . . ?
C11 Ir1 B7 110.1(3) . . ?
C11 Ir1 B8 85.2(3) . . ?
C11 Ir1 B9 97.8(3) . . ?
C11 Ir1 C3 124.1(3) . . ?
C14 Ir1 B7 83.2(3) . . ?
C14 Ir1 B8 117.1(3) . . ?
C14 Ir1 B9 164.9(3) . . ?
C14 Ir1 C3 123.0(3) . . ?
C14 Ir1 C11 78.9(3) . . ?
C14 Ir1 C15 37.0(3) . . ?
C15 Ir1 B7 114.5(3) . . ?
C15 Ir1 B8 154.1(3) . . ?
C15 Ir1 B9 158.1(3) . . ?
C15 Ir1 C3 88.5(3) . . ?
C15 Ir1 C11 86.7(3) . . ?
B2 B1 B3 61.9(4) . . ?
B2 B1 B5 109.6(7) . . ?
B2 B1 B6 61.2(5) . . ?
B4 B1 B2 111.8(6) . . ?
B4 B1 B3 59.5(5) . . ?
B4 B1 B5 59.9(5) . . ?
B4 B1 B6 108.5(6) . . ?
B5 B1 B3 106.0(6) . . ?
B6 B1 B3 107.8(6) . . ?
B6 B1 B5 59.2(5) . . ?
B1 B2 B3 60.5(5) . . ?
B1 B2 B6 59.5(4) . . ?
B1 B2 B9 106.5(6) . . ?
B6 B2 B3 105.4(5) . . ?
B6 B2 B9 58.5(5) . . ?
B9 B2 B3 104.2(6) . . ?
C2 B2 B1 109.0(6) . . ?
C2 B2 B3 58.5(4) . . ?
C2 B2 B6 107.6(7) . . ?
C2 B2 B9 60.2(5) . . ?
B1 B3 B2 57.6(5) . . ?
B4 B3 B1 58.7(5) . . ?
B4 B3 B2 107.4(6) . . ?
C1 B3 B1 104.9(6) . . ?
C1 B3 B2 115.5(7) . . ?
C1 B3 B4 55.7(4) . . ?
C2 B3 B1 103.2(6) . . ?
C2 B3 B2 54.4(5) . . ?
C2 B3 B4 115.7(6) . . ?
C2 B3 C1 77.2(5) . . ?
B1 B4 B3 61.8(5) . . ?
B1 B4 B5 60.5(5) . . ?
B1 B4 B7 109.7(6) . . ?
B3 B4 B7 106.1(6) . . ?
B5 B4 B3 108.3(6) . . ?
B5 B4 B7 60.8(5) . . ?
C1 B4 B1 111.3(6) . . ?
C1 B4 B3 60.2(5) . . ?
C1 B4 B5 108.5(6) . . ?
C1 B4 B7 58.3(4) . . ?
B1 B5 B7 109.0(6) . . ?
B1 B5 B8 108.7(6) . . ?
B4 B5 B1 59.6(5) . . ?
B4 B5 B7 60.9(5) . . ?
B4 B5 B8 108.4(6) . . ?
B6 B5 B1 60.1(5) . . ?
B6 B5 B4 109.0(6) . . ?
B6 B5 B7 110.8(6) . . ?
B6 B5 B8 61.9(5) . . ?
B8 B5 B7 60.0(4) . . ?
B1 B6 B2 59.3(5) . . ?
B1 B6 B8 107.6(5) . . ?
B2 B6 B8 109.0(6) . . ?
B5 B6 B1 60.7(5) . . ?
B5 B6 B2 109.3(6) . . ?
B5 B6 B8 59.9(5) . . ?
B5 B6 B9 109.8(6) . . ?
B9 B6 B1 108.2(6) . . ?
B9 B6 B2 60.8(5) . . ?
B9 B6 B8 61.0(4) . . ?
B4 B7 Ir1 111.1(4) . . ?
B5 B7 Ir1 115.8(5) . . ?
B5 B7 B4 58.3(5) . . ?
B8 B7 Ir1 67.1(4) . . ?
B8 B7 B4 105.6(5) . . ?
B8 B7 B5 59.1(5) . . ?
C1 B7 Ir1 63.7(4) . . ?
C1 B7 B4 55.4(4) . . ?
C1 B7 B5 104.0(6) . . ?
C1 B7 B8 109.7(6) . . ?
B5 B8 Ir1 116.2(5) . . ?
B5 B8 B6 58.2(5) . . ?
B5 B8 B7 60.8(5) . . ?
B5 B8 B9 106.0(6) . . ?
B6 B8 Ir1 114.0(5) . . ?
B7 B8 Ir1 66.0(4) . . ?
B7 B8 B6 108.5(6) . . ?
B7 B8 B9 111.8(5) . . ?
B9 B8 Ir1 64.4(3) . . ?
B9 B8 B6 58.0(4) . . ?
B2 B9 Ir1 112.8(4) . . ?
B2 B9 B8 109.0(5) . . ?
B6 B9 Ir1 119.3(5) . . ?
B6 B9 B2 60.7(4) . . ?
B6 B9 B8 61.1(4) . . ?
B8 B9 Ir1 67.8(4) . . ?
C2 B9 Ir1 63.6(3) . . ?
C2 B9 B2 54.8(4) . . ?
C2 B9 B6 105.0(6) . . ?
C2 B9 B8 109.3(5) . . ?
B3 C1 Ir1 109.5(5) . . ?
B4 C1 Ir1 126.1(5) . . ?
B4 C1 B3 64.1(5) . . ?
B4 C1 B7 66.3(5) . . ?
B7 C1 Ir1 71.1(4) . . ?
B7 C1 B3 115.2(6) . . ?
B2 C2 Ir1 126.7(5) . . ?
B2 C2 B3 67.2(5) . . ?
B2 C2 B9 64.9(5) . . ?
B3 C2 Ir1 110.6(4) . . ?
B3 C2 B9 114.0(6) . . ?
B9 C2 Ir1 69.5(4) . . ?
C3 C2 Ir1 78.2(4) . . ?
C3 C2 B2 145.2(6) . . ?
C3 C2 B3 132.1(7) . . ?
C3 C2 B9 113.1(6) . . ?
C2 C3 Ir1 64.8(4) . . ?
C2 C3 C4 129.8(7) . . ?
C4 C3 Ir1 120.0(4) . . ?
C5 C4 C3 125.7(7) . . ?
C9 C4 C3 116.9(7) . . ?
C9 C4 C5 117.5(7) . . ?
C6 C5 C4 121.0(7) . . ?
C5 C6 C7 120.6(8) . . ?
C6 C7 C8 118.8(7) . . ?
C9 C8 C7 120.2(7) . . ?
C8 C9 C4 121.8(7) . . ?
C11 C10 Ir1 72.1(4) . . ?
C11 C10 C17 123.1(7) . . ?
C17 C10 Ir1 112.7(5) . . ?
C10 C11 Ir1 70.6(4) . . ?
C10 C11 C12 122.3(7) . . ?
C12 C11 Ir1 113.3(5) . . ?
C13 C12 C11 112.5(6) . . ?
C14 C13 C12 113.1(6) . . ?
C13 C14 Ir1 110.8(5) . . ?
C15 C14 Ir1 71.7(4) . . ?
C15 C14 C13 125.8(7) . . ?
C14 C15 Ir1 71.3(4) . . ?
C14 C15 C16 124.0(7) . . ?
C16 C15 Ir1 114.4(5) . . ?
C15 C16 C17 113.3(6) . . ?
C10 C17 C16 113.9(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_3k
_database_code_depnum_ccdc_archive 'CCDC 2019604'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-09
_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         'C17 H29 B10 N O S'
_chemical_formula_sum            'C17 H29 B10 N O S'
_chemical_formula_weight         403.57
_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
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      tetragonal
_space_group_IT_number           78
_space_group_name_H-M_alt        'P 43'
_space_group_name_Hall           'P 4cw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+3/4'
'y, -x, z+1/4'

_cell_length_a                   11.5419(6)
_cell_length_b                   11.5419(6)
_cell_length_c                   16.7630(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2233.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11591
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.447
_cell_measurement_theta_min      2.478
_shelx_estimated_absorpt_T_max   0.970
_shelx_estimated_absorpt_T_min   0.955
_exptl_absorpt_coefficient_mu    0.155
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_unetI/netI     0.0170
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18593
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.563
_diffrn_reflns_theta_min         1.764
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                4009
_reflns_number_total             4144
_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    ?
_refine_diff_density_max         0.207
_refine_diff_density_min         -0.136
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details 
;
 Flack x determined using 1854 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.054(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4144
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.045
_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)+(0.0431P)²+0.3748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
2.d Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3A), B4(H4), B7(H7A), B8(H8), B9(H9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
S1 S 0.55585(4) 0.60880(4) 0.54846(3) 0.02022(13) Uani 1 1 d . . . . .
O1 O 0.55426(15) 0.62505(15) 0.45979(10) 0.0306(4) Uani 1 1 d . . . . .
N1 N 0.69179(16) 0.56691(17) 0.57058(11) 0.0211(4) Uani 1 1 d . . . . .
H1 H 0.691(2) 0.518(2) 0.6068(16) 0.025 Uiso 1 1 d R . . . .
C1 C 0.69026(19) 0.4145(2) 0.39470(12) 0.0209(4) Uani 1 1 d . . . . .
H1A H 0.639(2) 0.477(2) 0.3849(16) 0.024(6) Uiso 1 1 d . . . . .
C2 C 0.78424(18) 0.43556(18) 0.46810(12) 0.0180(4) Uani 1 1 d . . . . .
C3 C 0.77843(17) 0.55751(18) 0.50827(13) 0.0185(4) Uani 1 1 d . . . . .
H3 H 0.7558 0.6123 0.4664 0.022 Uiso 1 1 calc R . . . .
C4 C 0.89483(18) 0.59956(18) 0.54058(13) 0.0197(4) Uani 1 1 d . . . . .
C5 C 0.9410(2) 0.5468(2) 0.60658(13) 0.0248(5) Uani 1 1 d . . . . .
H5 H 0.9048 0.4815 0.6274 0.030 Uiso 1 1 calc R . . . .
C6 C 1.0422(2) 0.5893(2) 0.64366(14) 0.0282(5) Uani 1 1 d . . . . .
H6 H 1.0725 0.5514 0.6880 0.034 Uiso 1 1 calc R . . . .
C7 C 1.09503(19) 0.6849(2) 0.61482(15) 0.0294(5) Uani 1 1 d . . . . .
H7 H 1.1608 0.7132 0.6402 0.035 Uiso 1 1 calc R . . . .
C8 C 1.05176(19) 0.74292(19) 0.54631(15) 0.0252(5) Uani 1 1 d . . . . .
C9 C 0.95033(18) 0.69947(18) 0.50737(13) 0.0203(4) Uani 1 1 d . . . . .
C10 C 0.9108(2) 0.7602(2) 0.43859(14) 0.0263(5) Uani 1 1 d . . . . .
H10 H 0.8457 0.7333 0.4116 0.032 Uiso 1 1 calc R . . . .
C11 C 0.9663(2) 0.8568(2) 0.41128(17) 0.0355(6) Uani 1 1 d . . . . .
H11 H 0.9388 0.8946 0.3661 0.043 Uiso 1 1 calc R . . . .
C12 C 1.0650(2) 0.8999(2) 0.45114(18) 0.0387(6) Uani 1 1 d . . . . .
H12 H 1.1017 0.9664 0.4327 0.046 Uiso 1 1 calc R . . . .
C13 C 1.1060(2) 0.8441(2) 0.51646(17) 0.0341(6) Uani 1 1 d . . . . .
H13 H 1.1713 0.8730 0.5423 0.041 Uiso 1 1 calc R . . . .
C14 C 0.5513(2) 0.75622(19) 0.59045(13) 0.0259(5) Uani 1 1 d . . . . .
C15 C 0.4291(2) 0.7983(2) 0.56884(17) 0.0373(6) Uani 1 1 d . . . . .
H15A H 0.4142 0.8710 0.5947 0.056 Uiso 1 1 calc GR . . . .
H15B H 0.3731 0.7421 0.5862 0.056 Uiso 1 1 calc GR . . . .
H15C H 0.4234 0.8081 0.5121 0.056 Uiso 1 1 calc GR . . . .
C16 C 0.6454(2) 0.8315(2) 0.55440(19) 0.0384(6) Uani 1 1 d . . . . .
H16A H 0.6389 0.8303 0.4973 0.058 Uiso 1 1 calc GR . . . .
H16B H 0.7199 0.8023 0.5698 0.058 Uiso 1 1 calc GR . . . .
H16C H 0.6368 0.9096 0.5732 0.058 Uiso 1 1 calc GR . . . .
C17 C 0.5636(2) 0.7426(2) 0.68038(15) 0.0378(6) Uani 1 1 d . . . . .
H17A H 0.6399 0.7148 0.6927 0.057 Uiso 1 1 calc GR . . . .
H17B H 0.5071 0.6882 0.6994 0.057 Uiso 1 1 calc GR . . . .
H17C H 0.5516 0.8162 0.7057 0.057 Uiso 1 1 calc GR . . . .
B1 B 0.6679(2) 0.3408(2) 0.48165(15) 0.0239(5) Uani 1 1 d . . . . .
H1B H 0.601(2) 0.366(2) 0.5184(14) 0.020(6) Uiso 1 1 d . . . . .
B2 B 0.8098(2) 0.3054(2) 0.51468(16) 0.0252(5) Uani 1 1 d . . . . .
H2 H 0.8304 0.2973 0.5785 0.030 Uiso 1 1 calc R . . . .
B3 B 0.9116(2) 0.3650(2) 0.44572(15) 0.0240(5) Uani 1 1 d . . . . .
H3A H 0.9978 0.3944 0.4649 0.029 Uiso 1 1 calc R . . . .
B4 B 0.8321(2) 0.4387(2) 0.37035(14) 0.0222(5) Uani 1 1 d . . . . .
H4 H 0.8656 0.5171 0.3409 0.027 Uiso 1 1 calc R . . . .
B5 B 0.6448(2) 0.2752(2) 0.38687(16) 0.0280(6) Uani 1 1 d . . . . .
H5A H 0.557(3) 0.261(3) 0.3706(18) 0.040(8) Uiso 1 1 d . . . . .
B6 B 0.7236(3) 0.2010(2) 0.46267(16) 0.0294(6) Uani 1 1 d . . . . .
H6A H 0.689(2) 0.124(2) 0.4936(19) 0.039(7) Uiso 1 1 d . . . . .
B7 B 0.8742(3) 0.2149(2) 0.44052(17) 0.0289(6) Uani 1 1 d . . . . .
H7A H 0.9366 0.1465 0.4561 0.035 Uiso 1 1 calc R . . . .
B8 B 0.8878(2) 0.2992(2) 0.35105(16) 0.0265(5) Uani 1 1 d . . . . .
H8 H 0.9591 0.2856 0.3085 0.032 Uiso 1 1 calc R . . . .
B9 B 0.7455(2) 0.3356(2) 0.31842(15) 0.0254(5) Uani 1 1 d . . . . .
H9 H 0.7233 0.3470 0.2551 0.030 Uiso 1 1 calc R . . . .
B10 B 0.7723(3) 0.1966(2) 0.36140(17) 0.0284(6) Uani 1 1 d . . . . .
H10A H 0.766(2) 0.116(3) 0.3227(17) 0.042(8) Uiso 1 1 d . . . . .


_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
S1 O1 1.4982(17) . ?
S1 N1 1.6832(19) . ?
S1 C14 1.842(2) . ?
N1 H1 0.83(3) . ?
N1 C3 1.450(3) . ?
C1 H1A 0.95(3) . ?
C1 C2 1.658(3) . ?
C1 B1 1.707(3) . ?
C1 B4 1.710(3) . ?
C1 B5 1.696(3) . ?
C1 B9 1.694(3) . ?
C2 C3 1.562(3) . ?
C2 B1 1.747(3) . ?
C2 B2 1.718(3) . ?
C2 B3 1.722(3) . ?
C2 B4 1.730(3) . ?
C3 H3 0.9800 . ?
C3 C4 1.528(3) . ?
C4 C5 1.371(3) . ?
C4 C9 1.432(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.411(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.351(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.420(3) . ?
C8 C9 1.431(3) . ?
C8 C13 1.417(3) . ?
C9 C10 1.424(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.366(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.411(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.356(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.536(3) . ?
C14 C16 1.516(4) . ?
C14 C17 1.522(3) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
B1 H1B 1.03(2) . ?
B1 B2 1.777(4) . ?
B1 B5 1.780(4) . ?
B1 B6 1.766(4) . ?
B2 H2 1.1000 . ?
B2 B3 1.785(4) . ?
B2 B6 1.790(4) . ?
B2 B7 1.786(4) . ?
B3 H3A 1.1000 . ?
B3 B4 1.778(4) . ?
B3 B7 1.787(4) . ?
B3 B8 1.781(4) . ?
B4 H4 1.1000 . ?
B4 B8 1.764(4) . ?
B4 B9 1.782(4) . ?
B5 H5A 1.07(3) . ?
B5 B6 1.782(4) . ?
B5 B9 1.775(4) . ?
B5 B10 1.780(4) . ?
B6 H6A 1.11(3) . ?
B6 B7 1.785(4) . ?
B6 B10 1.789(4) . ?
B7 H7A 1.1000 . ?
B7 B8 1.794(4) . ?
B7 B10 1.785(4) . ?
B8 H8 1.1000 . ?
B8 B9 1.781(4) . ?
B8 B10 1.791(4) . ?
B9 H9 1.1000 . ?
B9 B10 1.786(4) . ?
B10 H10A 1.14(3) . ?

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
O1 S1 N1 105.42(9) . . ?
O1 S1 C14 105.25(10) . . ?
N1 S1 C14 101.98(10) . . ?
S1 N1 H1 110.6(18) . . ?
C3 N1 S1 120.37(14) . . ?
C3 N1 H1 118.6(18) . . ?
C2 C1 H1A 115.4(16) . . ?
C2 C1 B1 62.52(13) . . ?
C2 C1 B4 61.76(13) . . ?
C2 C1 B5 113.49(17) . . ?
C2 C1 B9 113.13(17) . . ?
B1 C1 H1A 115.5(16) . . ?
B1 C1 B4 115.47(17) . . ?
B4 C1 H1A 115.9(16) . . ?
B5 C1 H1A 120.7(16) . . ?
B5 C1 B1 63.06(15) . . ?
B5 C1 B4 115.62(18) . . ?
B9 C1 H1A 120.9(16) . . ?
B9 C1 B1 115.69(18) . . ?
B9 C1 B4 63.11(14) . . ?
B9 C1 B5 63.16(15) . . ?
C1 C2 B1 60.12(13) . . ?
C1 C2 B2 108.75(16) . . ?
C1 C2 B3 109.10(16) . . ?
C1 C2 B4 60.60(13) . . ?
C3 C2 C1 115.09(16) . . ?
C3 C2 B1 118.39(17) . . ?
C3 C2 B2 126.81(17) . . ?
C3 C2 B3 123.85(17) . . ?
C3 C2 B4 113.76(16) . . ?
B2 C2 B1 61.68(14) . . ?
B2 C2 B3 62.53(14) . . ?
B2 C2 B4 113.22(17) . . ?
B3 C2 B1 112.83(17) . . ?
B3 C2 B4 62.03(14) . . ?
B4 C2 B1 112.46(16) . . ?
N1 C3 C2 114.05(17) . . ?
N1 C3 H3 106.5 . . ?
N1 C3 C4 109.10(17) . . ?
C2 C3 H3 106.5 . . ?
C4 C3 C2 113.67(17) . . ?
C4 C3 H3 106.5 . . ?
C5 C4 C3 119.14(19) . . ?
C5 C4 C9 119.9(2) . . ?
C9 C4 C3 120.76(18) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.5(2) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(2) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.1(2) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 119.4(2) . . ?
C13 C8 C7 121.3(2) . . ?
C13 C8 C9 119.3(2) . . ?
C8 C9 C4 118.1(2) . . ?
C10 C9 C4 124.6(2) . . ?
C10 C9 C8 117.32(19) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.5(2) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.5(2) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.8(2) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 H13 119.2 . . ?
C12 C13 C8 121.5(2) . . ?
C12 C13 H13 119.2 . . ?
C15 C14 S1 103.18(16) . . ?
C16 C14 S1 110.90(16) . . ?
C16 C14 C15 112.5(2) . . ?
C16 C14 C17 112.8(2) . . ?
C17 C14 S1 106.29(16) . . ?
C17 C14 C15 110.6(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C1 B1 C2 57.36(12) . . ?
C1 B1 H1B 118.7(13) . . ?
C1 B1 B2 103.95(17) . . ?
C1 B1 B5 58.16(14) . . ?
C1 B1 B6 104.28(18) . . ?
C2 B1 H1B 118.1(13) . . ?
C2 B1 B2 58.36(13) . . ?
C2 B1 B5 105.38(17) . . ?
C2 B1 B6 105.62(18) . . ?
B2 B1 H1B 124.6(13) . . ?
B2 B1 B5 108.58(19) . . ?
B5 B1 H1B 123.1(13) . . ?
B6 B1 H1B 130.1(13) . . ?
B6 B1 B2 60.72(15) . . ?
B6 B1 B5 60.33(16) . . ?
C2 B2 B1 59.96(14) . . ?
C2 B2 H2 123.7 . . ?
C2 B2 B3 58.84(13) . . ?
C2 B2 B6 105.77(18) . . ?
C2 B2 B7 105.45(18) . . ?
B1 B2 H2 121.5 . . ?
B1 B2 B3 108.45(18) . . ?
B1 B2 B6 59.34(15) . . ?
B1 B2 B7 107.51(18) . . ?
B3 B2 H2 121.4 . . ?
B3 B2 B6 108.03(18) . . ?
B3 B2 B7 60.03(15) . . ?
B6 B2 H2 122.4 . . ?
B7 B2 H2 122.5 . . ?
B7 B2 B6 59.89(15) . . ?
C2 B3 B2 58.63(13) . . ?
C2 B3 H3A 124.2 . . ?
C2 B3 B4 59.20(13) . . ?
C2 B3 B7 105.26(18) . . ?
C2 B3 B8 105.32(17) . . ?
B2 B3 H3A 121.6 . . ?
B2 B3 B7 59.99(15) . . ?
B4 B3 B2 107.75(18) . . ?
B4 B3 H3A 121.8 . . ?
B4 B3 B7 107.76(18) . . ?
B4 B3 B8 59.44(15) . . ?
B7 B3 H3A 122.2 . . ?
B8 B3 B2 108.14(18) . . ?
B8 B3 H3A 122.2 . . ?
B8 B3 B7 60.39(15) . . ?
C1 B4 C2 57.63(12) . . ?
C1 B4 B3 104.23(17) . . ?
C1 B4 H4 125.3 . . ?
C1 B4 B8 104.05(17) . . ?
C1 B4 B9 57.99(13) . . ?
C2 B4 B3 58.78(13) . . ?
C2 B4 H4 123.7 . . ?
C2 B4 B8 105.70(17) . . ?
C2 B4 B9 105.63(17) . . ?
B3 B4 H4 122.1 . . ?
B3 B4 B9 108.47(18) . . ?
B8 B4 B3 60.34(15) . . ?
B8 B4 H4 122.7 . . ?
B8 B4 B9 60.31(15) . . ?
B9 B4 H4 121.8 . . ?
C1 B5 B1 58.78(14) . . ?
C1 B5 H5A 117.7(16) . . ?
C1 B5 B6 104.06(18) . . ?
C1 B5 B9 58.36(14) . . ?
C1 B5 B10 104.25(18) . . ?
B1 B5 H5A 116.0(16) . . ?
B1 B5 B6 59.44(15) . . ?
B1 B5 B10 107.89(19) . . ?
B6 B5 H5A 126.4(16) . . ?
B9 B5 B1 108.18(18) . . ?
B9 B5 H5A 121.4(16) . . ?
B9 B5 B6 108.4(2) . . ?
B9 B5 B10 60.31(15) . . ?
B10 B5 H5A 130.3(16) . . ?
B10 B5 B6 60.30(16) . . ?
B1 B6 B2 59.94(14) . . ?
B1 B6 B5 60.23(15) . . ?
B1 B6 H6A 121.4(15) . . ?
B1 B6 B7 108.02(19) . . ?
B1 B6 B10 108.12(19) . . ?
B2 B6 H6A 121.0(16) . . ?
B5 B6 B2 107.88(18) . . ?
B5 B6 H6A 122.6(15) . . ?
B5 B6 B7 107.76(19) . . ?
B5 B6 B10 59.80(15) . . ?
B7 B6 B2 59.93(16) . . ?
B7 B6 H6A 121.4(15) . . ?
B7 B6 B10 59.94(16) . . ?
B10 B6 B2 107.83(19) . . ?
B10 B6 H6A 122.4(16) . . ?
B2 B7 B3 59.97(14) . . ?
B2 B7 H7A 121.8 . . ?
B2 B7 B8 107.53(18) . . ?
B3 B7 H7A 121.7 . . ?
B3 B7 B8 59.64(15) . . ?
B6 B7 B2 60.18(15) . . ?
B6 B7 B3 108.21(18) . . ?
B6 B7 H7A 121.5 . . ?
B6 B7 B8 107.9(2) . . ?
B6 B7 B10 60.13(16) . . ?
B8 B7 H7A 122.1 . . ?
B10 B7 B2 108.19(19) . . ?
B10 B7 B3 108.07(19) . . ?
B10 B7 H7A 121.5 . . ?
B10 B7 B8 60.04(15) . . ?
B3 B8 B7 59.97(15) . . ?
B3 B8 H8 121.5 . . ?
B3 B8 B9 108.38(17) . . ?
B3 B8 B10 108.09(18) . . ?
B4 B8 B3 60.22(14) . . ?
B4 B8 B7 108.05(18) . . ?
B4 B8 H8 121.4 . . ?
B4 B8 B9 60.33(14) . . ?
B4 B8 B10 108.35(18) . . ?
B7 B8 H8 122.0 . . ?
B9 B8 B7 107.73(19) . . ?
B9 B8 H8 121.6 . . ?
B9 B8 B10 59.99(15) . . ?
B10 B8 B7 59.74(15) . . ?
B10 B8 H8 121.7 . . ?
C1 B9 B4 58.90(13) . . ?
C1 B9 B5 58.48(14) . . ?
C1 B9 B8 104.00(17) . . ?
C1 B9 H9 125.2 . . ?
C1 B9 B10 104.08(18) . . ?
B4 B9 H9 121.5 . . ?
B4 B9 B10 107.80(18) . . ?
B5 B9 B4 108.29(18) . . ?
B5 B9 B8 108.16(19) . . ?
B5 B9 H9 121.3 . . ?
B5 B9 B10 59.97(15) . . ?
B8 B9 B4 59.36(15) . . ?
B8 B9 H9 122.6 . . ?
B8 B9 B10 60.26(15) . . ?
B10 B9 H9 122.5 . . ?
B5 B10 B6 59.89(16) . . ?
B5 B10 B7 107.82(19) . . ?
B5 B10 B8 107.55(18) . . ?
B5 B10 B9 59.72(15) . . ?
B5 B10 H10A 120.2(15) . . ?
B6 B10 B8 107.90(19) . . ?
B6 B10 H10A 123.0(15) . . ?
B7 B10 B6 59.93(16) . . ?
B7 B10 B8 60.22(16) . . ?
B7 B10 B9 107.91(18) . . ?
B7 B10 H10A 124.1(15) . . ?
B8 B10 H10A 122.1(15) . . ?
B9 B10 B6 107.65(18) . . ?
B9 B10 B8 59.74(15) . . ?
B9 B10 H10A 119.7(15) . . ?

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
S1 N1 C3 C2 -89.8(2) . . . . ?
S1 N1 C3 C4 141.85(15) . . . . ?
O1 S1 N1 C3 1.86(19) . . . . ?
O1 S1 C14 C15 68.47(18) . . . . ?
O1 S1 C14 C16 -52.22(19) . . . . ?
O1 S1 C14 C17 -175.11(17) . . . . ?
N1 S1 C14 C15 178.32(17) . . . . ?
N1 S1 C14 C16 57.64(18) . . . . ?
N1 S1 C14 C17 -65.26(18) . . . . ?
N1 C3 C4 C5 57.8(3) . . . . ?
N1 C3 C4 C9 -116.4(2) . . . . ?
C1 C2 C3 N1 84.6(2) . . . . ?
C1 C2 C3 C4 -149.50(17) . . . . ?
C1 C2 B1 B2 136.96(18) . . . . ?
C1 C2 B1 B5 34.33(16) . . . . ?
C1 C2 B1 B6 97.19(19) . . . . ?
C1 C2 B2 B1 -38.68(16) . . . . ?
C1 C2 B2 B3 102.30(18) . . . . ?
C1 C2 B2 B6 0.5(2) . . . . ?
C1 C2 B2 B7 62.9(2) . . . . ?
C1 C2 B3 B2 -101.73(18) . . . . ?
C1 C2 B3 B4 39.45(16) . . . . ?
C1 C2 B3 B7 -62.4(2) . . . . ?
C1 C2 B3 B8 0.5(2) . . . . ?
C1 C2 B4 B3 -136.43(18) . . . . ?
C1 C2 B4 B8 -96.91(18) . . . . ?
C1 C2 B4 B9 -34.01(16) . . . . ?
C1 B1 B2 C2 36.32(15) . . . . ?
C1 B1 B2 B3 1.7(2) . . . . ?
C1 B1 B2 B6 -98.75(19) . . . . ?
C1 B1 B2 B7 -61.7(2) . . . . ?
C1 B1 B5 B6 133.46(19) . . . . ?
C1 B1 B5 B9 32.35(17) . . . . ?
C1 B1 B5 B10 96.13(19) . . . . ?
C1 B1 B6 B2 98.19(18) . . . . ?
C1 B1 B6 B5 -39.52(16) . . . . ?
C1 B1 B6 B7 61.0(2) . . . . ?
C1 B1 B6 B10 -2.3(2) . . . . ?
C1 B4 B8 B3 -98.58(18) . . . . ?
C1 B4 B8 B7 -61.0(2) . . . . ?
C1 B4 B8 B9 39.51(16) . . . . ?
C1 B4 B8 B10 2.2(2) . . . . ?
C1 B4 B9 B5 -32.59(17) . . . . ?
C1 B4 B9 B8 -133.30(18) . . . . ?
C1 B4 B9 B10 -96.01(19) . . . . ?
C1 B5 B6 B1 39.78(16) . . . . ?
C1 B5 B6 B2 2.1(2) . . . . ?
C1 B5 B6 B7 -61.2(2) . . . . ?
C1 B5 B6 B10 -98.58(19) . . . . ?
C1 B5 B9 B4 32.76(17) . . . . ?
C1 B5 B9 B8 95.60(19) . . . . ?
C1 B5 B9 B10 133.17(19) . . . . ?
C1 B5 B10 B6 98.27(19) . . . . ?
C1 B5 B10 B7 60.9(2) . . . . ?
C1 B5 B10 B8 -2.6(2) . . . . ?
C1 B5 B10 B9 -39.84(16) . . . . ?
C1 B9 B10 B5 39.86(16) . . . . ?
C1 B9 B10 B6 2.5(2) . . . . ?
C1 B9 B10 B7 -60.7(2) . . . . ?
C1 B9 B10 B8 -98.28(18) . . . . ?
C2 C1 B1 B2 -36.78(15) . . . . ?
C2 C1 B1 B5 -140.21(18) . . . . ?
C2 C1 B1 B6 -99.60(18) . . . . ?
C2 C1 B4 B3 37.45(15) . . . . ?
C2 C1 B4 B8 99.88(18) . . . . ?
C2 C1 B4 B9 140.56(18) . . . . ?
C2 C1 B5 B1 38.25(17) . . . . ?
C2 C1 B5 B6 -1.9(2) . . . . ?
C2 C1 B5 B9 -105.08(19) . . . . ?
C2 C1 B5 B10 -64.3(2) . . . . ?
C2 C1 B9 B4 -37.49(17) . . . . ?
C2 C1 B9 B5 105.6(2) . . . . ?
C2 C1 B9 B8 2.7(2) . . . . ?
C2 C1 B9 B10 65.0(2) . . . . ?
C2 C3 C4 C5 -70.7(2) . . . . ?
C2 C3 C4 C9 115.1(2) . . . . ?
C2 B1 B2 B3 -34.61(15) . . . . ?
C2 B1 B2 B6 -135.07(18) . . . . ?
C2 B1 B2 B7 -98.06(19) . . . . ?
C2 B1 B5 C1 -33.99(15) . . . . ?
C2 B1 B5 B6 99.48(19) . . . . ?
C2 B1 B5 B9 -1.6(2) . . . . ?
C2 B1 B5 B10 62.1(2) . . . . ?
C2 B1 B6 B2 38.63(16) . . . . ?
C2 B1 B6 B5 -99.07(19) . . . . ?
C2 B1 B6 B7 1.5(2) . . . . ?
C2 B1 B6 B10 -61.9(2) . . . . ?
C2 B2 B3 B4 -34.42(16) . . . . ?
C2 B2 B3 B7 -135.07(19) . . . . ?
C2 B2 B3 B8 -97.23(19) . . . . ?
C2 B2 B6 B1 -39.44(16) . . . . ?
C2 B2 B6 B5 -1.6(2) . . . . ?
C2 B2 B6 B7 98.99(19) . . . . ?
C2 B2 B6 B10 61.6(2) . . . . ?
C2 B2 B7 B3 38.83(16) . . . . ?
C2 B2 B7 B6 -99.54(19) . . . . ?
C2 B2 B7 B8 1.5(2) . . . . ?
C2 B2 B7 B10 -62.0(2) . . . . ?
C2 B3 B4 C1 -36.91(15) . . . . ?
C2 B3 B4 B8 -135.17(18) . . . . ?
C2 B3 B4 B9 -97.45(18) . . . . ?
C2 B3 B7 B2 -38.68(16) . . . . ?
C2 B3 B7 B6 -1.3(2) . . . . ?
C2 B3 B7 B8 99.20(19) . . . . ?
C2 B3 B7 B10 62.3(2) . . . . ?
C2 B3 B8 B4 38.89(16) . . . . ?
C2 B3 B8 B7 -99.10(19) . . . . ?
C2 B3 B8 B9 1.2(2) . . . . ?
C2 B3 B8 B10 -62.3(2) . . . . ?
C2 B4 B8 B3 -38.77(16) . . . . ?
C2 B4 B8 B7 -1.2(2) . . . . ?
C2 B4 B8 B9 99.32(18) . . . . ?
C2 B4 B8 B10 62.0(2) . . . . ?
C2 B4 B9 C1 33.86(15) . . . . ?
C2 B4 B9 B5 1.3(2) . . . . ?
C2 B4 B9 B8 -99.44(18) . . . . ?
C2 B4 B9 B10 -62.2(2) . . . . ?
C3 C2 B1 C1 104.20(19) . . . . ?
C3 C2 B1 B2 -118.8(2) . . . . ?
C3 C2 B1 B5 138.53(19) . . . . ?
C3 C2 B1 B6 -158.61(18) . . . . ?
C3 C2 B2 B1 105.7(2) . . . . ?
C3 C2 B2 B3 -113.3(2) . . . . ?
C3 C2 B2 B6 144.9(2) . . . . ?
C3 C2 B2 B7 -152.7(2) . . . . ?
C3 C2 B3 B2 117.7(2) . . . . ?
C3 C2 B3 B4 -101.1(2) . . . . ?
C3 C2 B3 B7 157.01(19) . . . . ?
C3 C2 B3 B8 -140.14(19) . . . . ?
C3 C2 B4 C1 -106.48(19) . . . . ?
C3 C2 B4 B3 117.09(19) . . . . ?
C3 C2 B4 B8 156.61(17) . . . . ?
C3 C2 B4 B9 -140.49(18) . . . . ?
C3 C4 C5 C6 -173.6(2) . . . . ?
C3 C4 C9 C8 172.50(19) . . . . ?
C3 C4 C9 C10 -6.6(3) . . . . ?
C4 C5 C6 C7 0.9(4) . . . . ?
C4 C9 C10 C11 178.2(2) . . . . ?
C5 C4 C9 C8 -1.7(3) . . . . ?
C5 C4 C9 C10 179.2(2) . . . . ?
C5 C6 C7 C8 -1.3(4) . . . . ?
C6 C7 C8 C9 0.2(3) . . . . ?
C6 C7 C8 C13 179.2(2) . . . . ?
C7 C8 C9 C4 1.3(3) . . . . ?
C7 C8 C9 C10 -179.6(2) . . . . ?
C7 C8 C13 C12 -179.9(2) . . . . ?
C8 C9 C10 C11 -0.8(3) . . . . ?
C9 C4 C5 C6 0.7(3) . . . . ?
C9 C8 C13 C12 -0.9(4) . . . . ?
C9 C10 C11 C12 -0.3(4) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C11 C12 C13 C8 -0.2(4) . . . . ?
C13 C8 C9 C4 -177.7(2) . . . . ?
C13 C8 C9 C10 1.4(3) . . . . ?
C14 S1 N1 C3 -107.87(17) . . . . ?
B1 C1 C2 C3 -109.66(19) . . . . ?
B1 C1 C2 B2 39.39(17) . . . . ?
B1 C1 C2 B3 105.94(18) . . . . ?
B1 C1 C2 B4 146.04(18) . . . . ?
B1 C1 B4 C2 -33.29(17) . . . . ?
B1 C1 B4 B3 4.2(2) . . . . ?
B1 C1 B4 B8 66.6(2) . . . . ?
B1 C1 B4 B9 107.3(2) . . . . ?
B1 C1 B5 B6 -40.11(17) . . . . ?
B1 C1 B5 B9 -143.33(19) . . . . ?
B1 C1 B5 B10 -102.5(2) . . . . ?
B1 C1 B9 B4 -106.9(2) . . . . ?
B1 C1 B9 B5 36.21(19) . . . . ?
B1 C1 B9 B8 -66.7(2) . . . . ?
B1 C1 B9 B10 -4.4(2) . . . . ?
B1 C2 C3 N1 16.4(3) . . . . ?
B1 C2 C3 C4 142.35(18) . . . . ?
B1 C2 B2 B3 140.98(18) . . . . ?
B1 C2 B2 B6 39.14(16) . . . . ?
B1 C2 B2 B7 101.58(19) . . . . ?
B1 C2 B3 B2 -36.97(17) . . . . ?
B1 C2 B3 B4 104.22(18) . . . . ?
B1 C2 B3 B7 2.4(2) . . . . ?
B1 C2 B3 B8 65.2(2) . . . . ?
B1 C2 B4 C1 31.61(17) . . . . ?
B1 C2 B4 B3 -104.83(19) . . . . ?
B1 C2 B4 B8 -65.3(2) . . . . ?
B1 C2 B4 B9 -2.4(2) . . . . ?
B1 B2 B3 C2 35.07(16) . . . . ?
B1 B2 B3 B4 0.6(2) . . . . ?
B1 B2 B3 B7 -100.0(2) . . . . ?
B1 B2 B3 B8 -62.2(2) . . . . ?
B1 B2 B6 B5 37.86(18) . . . . ?
B1 B2 B6 B7 138.4(2) . . . . ?
B1 B2 B6 B10 101.0(2) . . . . ?
B1 B2 B7 B3 101.60(19) . . . . ?
B1 B2 B7 B6 -36.76(18) . . . . ?
B1 B2 B7 B8 64.2(2) . . . . ?
B1 B2 B7 B10 0.8(2) . . . . ?
B1 B5 B6 B2 -37.73(17) . . . . ?
B1 B5 B6 B7 -101.0(2) . . . . ?
B1 B5 B6 B10 -138.37(19) . . . . ?
B1 B5 B9 C1 -32.52(17) . . . . ?
B1 B5 B9 B4 0.2(2) . . . . ?
B1 B5 B9 B8 63.1(2) . . . . ?
B1 B5 B9 B10 100.7(2) . . . . ?
B1 B5 B10 B6 36.95(18) . . . . ?
B1 B5 B10 B7 -0.4(2) . . . . ?
B1 B5 B10 B8 -64.0(2) . . . . ?
B1 B5 B10 B9 -101.15(19) . . . . ?
B1 B6 B7 B2 37.15(18) . . . . ?
B1 B6 B7 B3 -0.1(3) . . . . ?
B1 B6 B7 B8 -63.2(2) . . . . ?
B1 B6 B7 B10 -100.9(2) . . . . ?
B1 B6 B10 B5 -37.36(18) . . . . ?
B1 B6 B10 B7 100.8(2) . . . . ?
B1 B6 B10 B8 63.0(2) . . . . ?
B1 B6 B10 B9 -0.1(3) . . . . ?
B2 C2 C3 N1 -58.0(3) . . . . ?
B2 C2 C3 C4 68.0(3) . . . . ?
B2 C2 B1 C1 -136.96(18) . . . . ?
B2 C2 B1 B5 -102.6(2) . . . . ?
B2 C2 B1 B6 -39.77(17) . . . . ?
B2 C2 B3 B4 141.19(18) . . . . ?
B2 C2 B3 B7 39.34(17) . . . . ?
B2 C2 B3 B8 102.18(19) . . . . ?
B2 C2 B4 C1 99.20(18) . . . . ?
B2 C2 B4 B3 -37.24(17) . . . . ?
B2 C2 B4 B8 2.3(2) . . . . ?
B2 C2 B4 B9 65.2(2) . . . . ?
B2 B1 B5 C1 -95.20(18) . . . . ?
B2 B1 B5 B6 38.26(17) . . . . ?
B2 B1 B5 B9 -62.8(2) . . . . ?
B2 B1 B5 B10 0.9(2) . . . . ?
B2 B1 B6 B5 -137.71(19) . . . . ?
B2 B1 B6 B7 -37.14(18) . . . . ?
B2 B1 B6 B10 -100.5(2) . . . . ?
B2 B3 B4 C1 -2.7(2) . . . . ?
B2 B3 B4 C2 34.19(16) . . . . ?
B2 B3 B4 B8 -100.99(19) . . . . ?
B2 B3 B4 B9 -63.3(2) . . . . ?
B2 B3 B7 B6 37.36(18) . . . . ?
B2 B3 B7 B8 137.88(19) . . . . ?
B2 B3 B7 B10 101.0(2) . . . . ?
B2 B3 B8 B4 100.32(19) . . . . ?
B2 B3 B8 B7 -37.67(18) . . . . ?
B2 B3 B8 B9 62.6(2) . . . . ?
B2 B3 B8 B10 -0.9(2) . . . . ?
B2 B6 B7 B3 -37.27(17) . . . . ?
B2 B6 B7 B8 -100.3(2) . . . . ?
B2 B6 B7 B10 -138.08(19) . . . . ?
B2 B6 B10 B5 -100.7(2) . . . . ?
B2 B6 B10 B7 37.40(18) . . . . ?
B2 B6 B10 B8 -0.4(3) . . . . ?
B2 B6 B10 B9 -63.5(2) . . . . ?
B2 B7 B8 B3 37.51(18) . . . . ?
B2 B7 B8 B4 -0.1(3) . . . . ?
B2 B7 B8 B9 -63.9(2) . . . . ?
B2 B7 B8 B10 -101.3(2) . . . . ?
B2 B7 B10 B5 -0.3(3) . . . . ?
B2 B7 B10 B6 -37.60(18) . . . . ?
B2 B7 B10 B8 100.2(2) . . . . ?
B2 B7 B10 B9 62.8(2) . . . . ?
B3 C2 C3 N1 -136.92(19) . . . . ?
B3 C2 C3 C4 -11.0(3) . . . . ?
B3 C2 B1 C1 -99.65(18) . . . . ?
B3 C2 B1 B2 37.31(17) . . . . ?
B3 C2 B1 B5 -65.3(2) . . . . ?
B3 C2 B1 B6 -2.5(2) . . . . ?
B3 C2 B2 B1 -140.98(18) . . . . ?
B3 C2 B2 B6 -101.84(19) . . . . ?
B3 C2 B2 B7 -39.40(17) . . . . ?
B3 C2 B4 C1 136.43(17) . . . . ?
B3 C2 B4 B8 39.52(17) . . . . ?
B3 C2 B4 B9 102.42(19) . . . . ?
B3 B2 B6 B1 -101.18(19) . . . . ?
B3 B2 B6 B5 -63.3(2) . . . . ?
B3 B2 B6 B7 37.25(18) . . . . ?
B3 B2 B6 B10 -0.2(2) . . . . ?
B3 B2 B7 B6 -138.4(2) . . . . ?
B3 B2 B7 B8 -37.37(18) . . . . ?
B3 B2 B7 B10 -100.8(2) . . . . ?
B3 B4 B8 B7 37.55(18) . . . . ?
B3 B4 B8 B9 138.09(19) . . . . ?
B3 B4 B8 B10 100.8(2) . . . . ?
B3 B4 B9 C1 95.56(18) . . . . ?
B3 B4 B9 B5 63.0(2) . . . . ?
B3 B4 B9 B8 -37.74(17) . . . . ?
B3 B4 B9 B10 -0.5(2) . . . . ?
B3 B7 B8 B4 -37.66(18) . . . . ?
B3 B7 B8 B9 -101.39(19) . . . . ?
B3 B7 B8 B10 -138.80(19) . . . . ?
B3 B7 B10 B5 -63.7(2) . . . . ?
B3 B7 B10 B6 -101.1(2) . . . . ?
B3 B7 B10 B8 36.71(18) . . . . ?
B3 B7 B10 B9 -0.6(3) . . . . ?
B3 B8 B9 C1 -2.3(2) . . . . ?
B3 B8 B9 B4 37.66(17) . . . . ?
B3 B8 B9 B5 -63.3(2) . . . . ?
B3 B8 B9 B10 -100.7(2) . . . . ?
B3 B8 B10 B5 64.0(2) . . . . ?
B3 B8 B10 B6 0.8(3) . . . . ?
B3 B8 B10 B7 -36.86(18) . . . . ?
B3 B8 B10 B9 101.21(19) . . . . ?
B4 C1 C2 C3 104.30(19) . . . . ?
B4 C1 C2 B1 -146.04(18) . . . . ?
B4 C1 C2 B2 -106.65(18) . . . . ?
B4 C1 C2 B3 -40.10(16) . . . . ?
B4 C1 B1 C2 33.03(17) . . . . ?
B4 C1 B1 B2 -3.7(2) . . . . ?
B4 C1 B1 B5 -107.2(2) . . . . ?
B4 C1 B1 B6 -66.6(2) . . . . ?
B4 C1 B5 B1 106.9(2) . . . . ?
B4 C1 B5 B6 66.8(2) . . . . ?
B4 C1 B5 B9 -36.40(19) . . . . ?
B4 C1 B5 B10 4.4(2) . . . . ?
B4 C1 B9 B5 143.13(19) . . . . ?
B4 C1 B9 B8 40.19(16) . . . . ?
B4 C1 B9 B10 102.52(19) . . . . ?
B4 C2 C3 N1 151.85(17) . . . . ?
B4 C2 C3 C4 -82.2(2) . . . . ?
B4 C2 B1 C1 -31.78(17) . . . . ?
B4 C2 B1 B2 105.18(19) . . . . ?
B4 C2 B1 B5 2.6(2) . . . . ?
B4 C2 B1 B6 65.4(2) . . . . ?
B4 C2 B2 B1 -103.95(18) . . . . ?
B4 C2 B2 B3 37.04(17) . . . . ?
B4 C2 B2 B6 -64.8(2) . . . . ?
B4 C2 B2 B7 -2.4(2) . . . . ?
B4 C2 B3 B2 -141.19(18) . . . . ?
B4 C2 B3 B7 -101.85(19) . . . . ?
B4 C2 B3 B8 -39.00(16) . . . . ?
B4 B3 B7 B2 -100.6(2) . . . . ?
B4 B3 B7 B6 -63.3(2) . . . . ?
B4 B3 B7 B8 37.24(17) . . . . ?
B4 B3 B7 B10 0.4(2) . . . . ?
B4 B3 B8 B7 -137.99(19) . . . . ?
B4 B3 B8 B9 -37.71(17) . . . . ?
B4 B3 B8 B10 -101.2(2) . . . . ?
B4 B8 B9 C1 -39.96(16) . . . . ?
B4 B8 B9 B5 -100.93(19) . . . . ?
B4 B8 B9 B10 -138.38(18) . . . . ?
B4 B8 B10 B5 0.3(2) . . . . ?
B4 B8 B10 B6 -62.9(2) . . . . ?
B4 B8 B10 B7 -100.62(19) . . . . ?
B4 B8 B10 B9 37.45(17) . . . . ?
B4 B9 B10 B5 101.25(19) . . . . ?
B4 B9 B10 B6 63.9(2) . . . . ?
B4 B9 B10 B7 0.7(2) . . . . ?
B4 B9 B10 B8 -36.89(17) . . . . ?
B5 C1 C2 C3 -148.13(18) . . . . ?
B5 C1 C2 B1 -38.47(18) . . . . ?
B5 C1 C2 B2 0.9(2) . . . . ?
B5 C1 C2 B3 67.5(2) . . . . ?
B5 C1 C2 B4 107.6(2) . . . . ?
B5 C1 B1 C2 140.21(18) . . . . ?
B5 C1 B1 B2 103.42(19) . . . . ?
B5 C1 B1 B6 40.60(18) . . . . ?
B5 C1 B4 C2 -104.1(2) . . . . ?
B5 C1 B4 B3 -66.7(2) . . . . ?
B5 C1 B4 B8 -4.3(2) . . . . ?
B5 C1 B4 B9 36.42(19) . . . . ?
B5 C1 B9 B4 -143.13(19) . . . . ?
B5 C1 B9 B8 -102.9(2) . . . . ?
B5 C1 B9 B10 -40.62(17) . . . . ?
B5 B1 B2 C2 96.98(18) . . . . ?
B5 B1 B2 B3 62.4(2) . . . . ?
B5 B1 B2 B6 -38.09(17) . . . . ?
B5 B1 B2 B7 -1.1(2) . . . . ?
B5 B1 B6 B2 137.71(19) . . . . ?
B5 B1 B6 B7 100.6(2) . . . . ?
B5 B1 B6 B10 37.17(18) . . . . ?
B5 B6 B7 B2 100.8(2) . . . . ?
B5 B6 B7 B3 63.5(2) . . . . ?
B5 B6 B7 B8 0.4(2) . . . . ?
B5 B6 B7 B10 -37.29(17) . . . . ?
B5 B6 B10 B7 138.12(19) . . . . ?
B5 B6 B10 B8 100.3(2) . . . . ?
B5 B6 B10 B9 37.24(18) . . . . ?
B5 B9 B10 B6 -37.32(18) . . . . ?
B5 B9 B10 B7 -100.6(2) . . . . ?
B5 B9 B10 B8 -138.14(19) . . . . ?
B6 B1 B2 C2 135.07(18) . . . . ?
B6 B1 B2 B3 100.5(2) . . . . ?
B6 B1 B2 B7 37.00(17) . . . . ?
B6 B1 B5 C1 -133.46(19) . . . . ?
B6 B1 B5 B9 -101.1(2) . . . . ?
B6 B1 B5 B10 -37.33(18) . . . . ?
B6 B2 B3 C2 97.88(19) . . . . ?
B6 B2 B3 B4 63.5(2) . . . . ?
B6 B2 B3 B7 -37.19(18) . . . . ?
B6 B2 B3 B8 0.7(2) . . . . ?
B6 B2 B7 B3 138.4(2) . . . . ?
B6 B2 B7 B8 101.0(2) . . . . ?
B6 B2 B7 B10 37.58(18) . . . . ?
B6 B5 B9 C1 -95.48(19) . . . . ?
B6 B5 B9 B4 -62.7(2) . . . . ?
B6 B5 B9 B8 0.1(2) . . . . ?
B6 B5 B9 B10 37.70(18) . . . . ?
B6 B5 B10 B7 -37.36(18) . . . . ?
B6 B5 B10 B8 -100.9(2) . . . . ?
B6 B5 B10 B9 -138.10(19) . . . . ?
B6 B7 B8 B3 101.0(2) . . . . ?
B6 B7 B8 B4 63.4(2) . . . . ?
B6 B7 B8 B9 -0.4(2) . . . . ?
B6 B7 B8 B10 -37.77(18) . . . . ?
B6 B7 B10 B5 37.35(18) . . . . ?
B6 B7 B10 B8 137.77(19) . . . . ?
B6 B7 B10 B9 100.4(2) . . . . ?
B7 B2 B3 C2 135.07(19) . . . . ?
B7 B2 B3 B4 100.7(2) . . . . ?
B7 B2 B3 B8 37.85(18) . . . . ?
B7 B2 B6 B1 -138.4(2) . . . . ?
B7 B2 B6 B5 -100.6(2) . . . . ?
B7 B2 B6 B10 -37.40(18) . . . . ?
B7 B3 B4 C1 60.6(2) . . . . ?
B7 B3 B4 C2 97.52(19) . . . . ?
B7 B3 B4 B8 -37.66(18) . . . . ?
B7 B3 B4 B9 0.1(2) . . . . ?
B7 B3 B8 B4 137.99(19) . . . . ?
B7 B3 B8 B9 100.3(2) . . . . ?
B7 B3 B8 B10 36.76(18) . . . . ?
B7 B6 B10 B5 -138.12(19) . . . . ?
B7 B6 B10 B8 -37.81(18) . . . . ?
B7 B6 B10 B9 -100.9(2) . . . . ?
B7 B8 B9 C1 61.1(2) . . . . ?
B7 B8 B9 B4 101.08(19) . . . . ?
B7 B8 B9 B5 0.1(2) . . . . ?
B7 B8 B9 B10 -37.30(17) . . . . ?
B7 B8 B10 B5 100.9(2) . . . . ?
B7 B8 B10 B6 37.68(18) . . . . ?
B7 B8 B10 B9 138.07(18) . . . . ?
B8 B3 B4 C1 98.26(18) . . . . ?
B8 B3 B4 C2 135.17(18) . . . . ?
B8 B3 B4 B9 37.72(17) . . . . ?
B8 B3 B7 B2 -137.88(19) . . . . ?
B8 B3 B7 B6 -100.5(2) . . . . ?
B8 B3 B7 B10 -36.88(18) . . . . ?
B8 B4 B9 C1 133.30(18) . . . . ?
B8 B4 B9 B5 100.7(2) . . . . ?
B8 B4 B9 B10 37.28(17) . . . . ?
B8 B7 B10 B5 -100.4(2) . . . . ?
B8 B7 B10 B6 -137.77(19) . . . . ?
B8 B7 B10 B9 -37.34(17) . . . . ?
B8 B9 B10 B5 138.14(19) . . . . ?
B8 B9 B10 B6 100.8(2) . . . . ?
B8 B9 B10 B7 37.55(18) . . . . ?
B9 C1 C2 C3 142.33(18) . . . . ?
B9 C1 C2 B1 -108.0(2) . . . . ?
B9 C1 C2 B2 -68.6(2) . . . . ?
B9 C1 C2 B3 -2.1(2) . . . . ?
B9 C1 C2 B4 38.04(17) . . . . ?
B9 C1 B1 C2 103.96(19) . . . . ?
B9 C1 B1 B2 67.2(2) . . . . ?
B9 C1 B1 B5 -36.25(19) . . . . ?
B9 C1 B1 B6 4.4(2) . . . . ?
B9 C1 B4 C2 -140.56(18) . . . . ?
B9 C1 B4 B3 -103.11(19) . . . . ?
B9 C1 B4 B8 -40.67(16) . . . . ?
B9 C1 B5 B1 143.33(19) . . . . ?
B9 C1 B5 B6 103.2(2) . . . . ?
B9 C1 B5 B10 40.82(17) . . . . ?
B9 B4 B8 B3 -138.09(19) . . . . ?
B9 B4 B8 B7 -100.5(2) . . . . ?
B9 B4 B8 B10 -37.30(18) . . . . ?
B9 B5 B6 B1 100.67(19) . . . . ?
B9 B5 B6 B2 62.9(2) . . . . ?
B9 B5 B6 B7 -0.3(2) . . . . ?
B9 B5 B6 B10 -37.70(18) . . . . ?
B9 B5 B10 B6 138.10(19) . . . . ?
B9 B5 B10 B7 100.7(2) . . . . ?
B9 B5 B10 B8 37.19(18) . . . . ?
B9 B8 B10 B5 -37.18(17) . . . . ?
B9 B8 B10 B6 -100.4(2) . . . . ?
B9 B8 B10 B7 -138.07(18) . . . . ?
B10 B5 B6 B1 138.37(19) . . . . ?
B10 B5 B6 B2 100.6(2) . . . . ?
B10 B5 B6 B7 37.35(17) . . . . ?
B10 B5 B9 C1 -133.17(19) . . . . ?
B10 B5 B9 B4 -100.4(2) . . . . ?
B10 B5 B9 B8 -37.57(17) . . . . ?
B10 B6 B7 B2 138.08(19) . . . . ?
B10 B6 B7 B3 100.8(2) . . . . ?
B10 B6 B7 B8 37.73(18) . . . . ?
B10 B7 B8 B3 138.80(19) . . . . ?
B10 B7 B8 B4 101.1(2) . . . . ?
B10 B7 B8 B9 37.41(17) . . . . ?
B10 B8 B9 C1 98.42(19) . . . . ?
B10 B8 B9 B4 138.38(18) . . . . ?
B10 B8 B9 B5 37.45(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5-Rh-Naph_2
_database_code_depnum_ccdc_archive 'CCDC 2019608'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_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         'C21 H30 B9 Rh'
_chemical_formula_sum            'C21 H30 B9 Rh'
_chemical_formula_weight         482.65
_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
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'
Rh Rh -1.1178 0.9187 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   12.713(3)
_cell_length_b                   13.248(3)
_cell_length_c                   13.479(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2270.3(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.470
_cell_measurement_theta_min      2.202
_shelx_estimated_absorpt_T_max   0.882
_shelx_estimated_absorpt_T_min   0.851
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light orange'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24339
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.523
_diffrn_reflns_theta_min         2.155
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.766
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                4597
_reflns_number_total             4691
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    ?
_refine_diff_density_max         0.410
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 
;
 Flack x determined using 1978 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4691
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0180
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0242P)²+0.8615P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0465
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H2(0.025) H3(0.028) H5(0.034) H6(0.042) H7(0.039) H10(0.036)
 H11(0.044) H12(0.044) H13(0.039) H14(0.037) H15(0.037) H16A(0.04) H16B(0.04)
 H17A(0.036) H17B(0.036) H18(0.033) H19(0.035) H20A(0.045) H20B(0.045)
 H21A(0.046) H21B(0.046) H1(0.032) H2A(0.033) H3A(0.029) H4(0.037) H5A(0.039)
 H6A(0.035) H7A(0.03) H8(0.031) H9(0.038)
 Fixed X: H2(0.2197) H3(0.1424) H5(0.0898) H6(-0.0756) H7(-0.2229) H10(0.0212)
 H11(-0.1286) H12(-0.2934) H13(-0.3066) H14(0.3539) H15(0.1959) H16A(0.0489)
 H16B(0.1162) H17A(0.0162) H17B(-0.0009) H18(0.1002) H19(0.2483) H20A(0.2957)
 H20B(0.1957) H21A(0.3229) H21B(0.4008) H1(0.3374) H2A(0.4859) H3A(0.404)
 H4(0.3298) H5A(0.5288) H6A(0.5719) H7A(0.4029) H8(0.2535) H9(0.481)
 Fixed Y: H2(-0.0315) H3(0.0024) H5(-0.1241) H6(-0.1617) H7(-0.0987)
 H10(0.0928) H11(0.1538) H12(0.1112) H13(0.0061) H14(0.2556) H15(0.2152)
 H16A(0.2849) H16B(0.3511) H17A(0.2766) H17B(0.1804) H18(0.1209) H19(0.1851)
 H20A(0.3452) H20B(0.362) H21A(0.3993) H21B(0.3196) H1(0.0693) H2A(0.1466)
 H3A(0.0875) H4(-0.1518) H5A(-0.0378) H6A(-0.0293) H7A(-0.135) H8(-0.2123) H9(-
 0.2127)
 Fixed Z: H2(0.517) H3(0.2331) H5(0.4587) H6(0.5201) H7(0.4465) H10(0.1926)
 H11(0.1208) H12(0.1836) H13(0.3169) H14(0.2648) H15(0.216) H16A(0.2727)
 H16B(0.345) H17A(0.4562) H17B(0.3906) H18(0.5219) H19(0.5734) H20A(0.5489)
 H20B(0.4828) H21A(0.3744) H21B(0.4188) H1(0.1958) H2A(0.3486) H3A(0.544)
 H4(0.208) H5A(0.2371) H6A(0.4502) H7A(0.5535) H8(0.4081) H9(0.3611)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.26022(2) 0.11076(2) 0.38168(2) 0.01974(6) Uani 1 1 d . . . . .
C1 C 0.2503(2) -0.04077(19) 0.33236(17) 0.0229(5) Uani 1 1 d . . . . .
C2 C 0.2790(2) -0.0315(2) 0.45757(19) 0.0209(5) Uani 1 1 d . . . . .
H2 H 0.2197 -0.0315 0.5170 0.025 Uiso 1 1 calc R . . . .
C3 C 0.1474(2) -0.0092(2) 0.3047(2) 0.0234(6) Uani 1 1 d . . . . .
H3 H 0.1424 0.0024 0.2331 0.028 Uiso 1 1 calc R . . . .
C4 C 0.0445(2) -0.0326(2) 0.3477(2) 0.0218(5) Uani 1 1 d . . . . .
C5 C 0.0309(2) -0.0963(2) 0.4282(2) 0.0280(6) Uani 1 1 d . . . . .
H5 H 0.0898 -0.1241 0.4587 0.034 Uiso 1 1 calc R . . . .
C6 C -0.0692(2) -0.1197(3) 0.4651(2) 0.0346(7) Uani 1 1 d . . . . .
H6 H -0.0756 -0.1617 0.5201 0.042 Uiso 1 1 calc R . . . .
C7 C -0.1570(2) -0.0819(2) 0.4215(2) 0.0325(7) Uani 1 1 d . . . . .
H7 H -0.2229 -0.0987 0.4465 0.039 Uiso 1 1 calc R . . . .
C8 C -0.1494(2) -0.0174(2) 0.3384(2) 0.0258(6) Uani 1 1 d . . . . .
C9 C -0.0482(2) 0.0089(2) 0.3010(2) 0.0226(5) Uani 1 1 d . . . . .
C10 C -0.0439(2) 0.0744(2) 0.2184(2) 0.0300(6) Uani 1 1 d . . . . .
H10 H 0.0212 0.0928 0.1926 0.036 Uiso 1 1 calc R . . . .
C11 C -0.1336(2) 0.1112(3) 0.1754(2) 0.0364(7) Uani 1 1 d . . . . .
H11 H -0.1286 0.1538 0.1208 0.044 Uiso 1 1 calc R . . . .
C12 C -0.2329(2) 0.0854(2) 0.2130(2) 0.0367(7) Uani 1 1 d . . . . .
H12 H -0.2934 0.1112 0.1836 0.044 Uiso 1 1 calc R . . . .
C13 C -0.2405(2) 0.0229(2) 0.2923(2) 0.0324(6) Uani 1 1 d . . . . .
H13 H -0.3066 0.0061 0.3169 0.039 Uiso 1 1 calc R . . . .
C14 C 0.3009(2) 0.2590(2) 0.3175(2) 0.0304(7) Uani 1 1 d . . . . .
H14 H 0.3539 0.2556 0.2648 0.037 Uiso 1 1 calc R . . . .
C15 C 0.1999(2) 0.2334(2) 0.2864(2) 0.0307(7) Uani 1 1 d . . . . .
H15 H 0.1959 0.2152 0.2160 0.037 Uiso 1 1 calc R . . . .
C16 C 0.1004(3) 0.2822(3) 0.3258(2) 0.0336(7) Uani 1 1 d . . . . .
H16A H 0.0489 0.2849 0.2727 0.040 Uiso 1 1 calc R . . . .
H16B H 0.1162 0.3511 0.3450 0.040 Uiso 1 1 calc R . . . .
C17 C 0.0517(2) 0.2275(2) 0.4146(2) 0.0302(6) Uani 1 1 d . . . . .
H17A H 0.0162 0.2766 0.4562 0.036 Uiso 1 1 calc R . . . .
H17B H -0.0009 0.1804 0.3906 0.036 Uiso 1 1 calc R . . . .
C18 C 0.1310(2) 0.1707(2) 0.4767(2) 0.0274(6) Uani 1 1 d . . . . .
H18 H 0.1002 0.1209 0.5219 0.033 Uiso 1 1 calc R . . . .
C19 C 0.2247(3) 0.2119(2) 0.5094(2) 0.0294(6) Uani 1 1 d . . . . .
H19 H 0.2483 0.1851 0.5734 0.035 Uiso 1 1 calc R . . . .
C20 C 0.2579(3) 0.3205(2) 0.4913(2) 0.0373(7) Uani 1 1 d . . . . .
H20A H 0.2957 0.3452 0.5489 0.045 Uiso 1 1 calc R . . . .
H20B H 0.1957 0.3620 0.4828 0.045 Uiso 1 1 calc R . . . .
C21 C 0.3282(3) 0.3308(2) 0.3994(3) 0.0383(8) Uani 1 1 d . . . . .
H21A H 0.3229 0.3993 0.3744 0.046 Uiso 1 1 calc R . . . .
H21B H 0.4008 0.3196 0.4188 0.046 Uiso 1 1 calc R . . . .
B1 B 0.3471(3) 0.0297(3) 0.2669(2) 0.0268(7) Uani 1 1 d . . . . .
H1 H 0.3374 0.0693 0.1958 0.032 Uiso 1 1 calc R . . . .
B2 B 0.4381(3) 0.0781(3) 0.3586(2) 0.0275(7) Uani 1 1 d . . . . .
H2A H 0.4859 0.1466 0.3486 0.033 Uiso 1 1 calc R . . . .
B3 B 0.3887(3) 0.0408(2) 0.4781(2) 0.0245(7) Uani 1 1 d . . . . .
H3A H 0.4040 0.0875 0.5440 0.029 Uiso 1 1 calc R . . . .
B4 B 0.3450(2) -0.1056(3) 0.2742(2) 0.0310(7) Uani 1 1 d . . . . .
H4 H 0.3298 -0.1518 0.2080 0.037 Uiso 1 1 calc R . . . .
B5 B 0.4648(3) -0.0356(3) 0.2920(3) 0.0327(8) Uani 1 1 d . . . . .
H5A H 0.5288 -0.0378 0.2371 0.039 Uiso 1 1 calc R . . . .
B6 B 0.4912(3) -0.0301(3) 0.4207(3) 0.0293(7) Uani 1 1 d . . . . .
H6A H 0.5719 -0.0293 0.4502 0.035 Uiso 1 1 calc R . . . .
B7 B 0.3891(2) -0.0948(2) 0.4833(2) 0.0254(7) Uani 1 1 d . . . . .
H7A H 0.4029 -0.1350 0.5535 0.030 Uiso 1 1 calc R . . . .
B8 B 0.2989(2) -0.1429(2) 0.3950(3) 0.0262(7) Uani 1 1 d . . . . .
H8 H 0.2535 -0.2123 0.4081 0.031 Uiso 1 1 calc R . . . .
B9 B 0.4360(3) -0.1420(3) 0.3675(3) 0.0314(7) Uani 1 1 d . . . . .
H9 H 0.4810 -0.2127 0.3611 0.038 Uiso 1 1 calc R . . . .


_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
Rh1 C1 2.118(2) . ?
Rh1 C2 2.157(3) . ?
Rh1 C3 2.378(3) . ?
Rh1 C14 2.208(3) . ?
Rh1 C15 2.209(3) . ?
Rh1 C18 2.229(3) . ?
Rh1 C19 2.228(3) . ?
Rh1 B1 2.183(3) . ?
Rh1 B2 2.323(3) . ?
Rh1 B3 2.283(3) . ?
C1 C2 1.731(3) . ?
C1 C3 1.423(4) . ?
C1 B1 1.779(4) . ?
C1 B4 1.674(4) . ?
C1 B8 1.710(4) . ?
C2 H2 1.1000 . ?
C2 B3 1.714(4) . ?
C2 B7 1.668(4) . ?
C2 B8 1.719(4) . ?
C3 H3 0.9800 . ?
C3 C4 1.465(4) . ?
C4 C5 1.385(4) . ?
C4 C9 1.444(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.401(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.357(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.412(4) . ?
C8 C9 1.426(4) . ?
C8 C13 1.418(4) . ?
C9 C10 1.413(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.369(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.403(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.356(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9800 . ?
C14 C15 1.393(4) . ?
C14 C21 1.497(5) . ?
C15 H15 0.9800 . ?
C15 C16 1.517(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.530(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.512(4) . ?
C18 H18 0.9800 . ?
C18 C19 1.383(4) . ?
C19 H19 0.9800 . ?
C19 C20 1.518(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.534(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
B1 H1 1.1000 . ?
B1 B2 1.810(5) . ?
B1 B4 1.795(6) . ?
B1 B5 1.762(5) . ?
B2 H2A 1.1000 . ?
B2 B3 1.798(5) . ?
B2 B5 1.787(5) . ?
B2 B6 1.792(5) . ?
B3 H3A 1.1000 . ?
B3 B6 1.783(5) . ?
B3 B7 1.799(4) . ?
B4 H4 1.1000 . ?
B4 B5 1.799(5) . ?
B4 B8 1.799(5) . ?
B4 B9 1.775(5) . ?
B5 H5A 1.1000 . ?
B5 B6 1.768(5) . ?
B5 B9 1.776(5) . ?
B6 H6A 1.1000 . ?
B6 B7 1.770(5) . ?
B6 B9 1.790(5) . ?
B7 H7A 1.1000 . ?
B7 B8 1.771(4) . ?
B7 B9 1.784(5) . ?
B8 H8 1.1000 . ?
B8 B9 1.781(5) . ?
B9 H9 1.1000 . ?

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
C1 Rh1 C2 47.75(9) . . ?
C1 Rh1 C3 36.32(10) . . ?
C1 Rh1 C14 137.23(11) . . ?
C1 Rh1 C15 119.61(11) . . ?
C1 Rh1 C18 118.30(11) . . ?
C1 Rh1 C19 143.19(10) . . ?
C1 Rh1 B1 48.83(12) . . ?
C1 Rh1 B2 80.78(12) . . ?
C1 Rh1 B3 80.60(11) . . ?
C2 Rh1 C3 71.95(10) . . ?
C2 Rh1 C14 159.54(11) . . ?
C2 Rh1 C15 163.11(10) . . ?
C2 Rh1 C18 96.92(10) . . ?
C2 Rh1 C19 100.47(10) . . ?
C2 Rh1 B1 81.39(12) . . ?
C2 Rh1 B2 78.07(11) . . ?
C2 Rh1 B3 45.30(11) . . ?
C14 Rh1 C3 124.38(11) . . ?
C14 Rh1 C15 36.76(11) . . ?
C14 Rh1 C18 94.64(11) . . ?
C14 Rh1 C19 79.33(11) . . ?
C14 Rh1 B2 83.39(12) . . ?
C14 Rh1 B3 114.60(11) . . ?
C15 Rh1 C3 91.64(11) . . ?
C15 Rh1 C18 79.42(12) . . ?
C15 Rh1 C19 86.35(12) . . ?
C15 Rh1 B2 113.37(12) . . ?
C15 Rh1 B3 151.36(12) . . ?
C18 Rh1 C3 92.54(11) . . ?
C18 Rh1 B2 149.36(12) . . ?
C18 Rh1 B3 110.15(12) . . ?
C19 Rh1 C3 128.09(11) . . ?
C19 Rh1 C18 36.15(11) . . ?
C19 Rh1 B2 114.35(12) . . ?
C19 Rh1 B3 87.09(12) . . ?
B1 Rh1 C3 70.58(11) . . ?
B1 Rh1 C14 92.37(13) . . ?
B1 Rh1 C15 97.20(13) . . ?
B1 Rh1 C18 162.79(11) . . ?
B1 Rh1 C19 161.06(12) . . ?
B1 Rh1 B2 47.25(12) . . ?
B1 Rh1 B3 80.90(13) . . ?
B2 Rh1 C3 113.85(11) . . ?
B3 Rh1 C3 114.11(11) . . ?
B3 Rh1 B2 45.94(11) . . ?
C2 C1 Rh1 67.30(12) . . ?
C2 C1 B1 107.5(2) . . ?
C3 C1 Rh1 81.84(16) . . ?
C3 C1 C2 115.4(2) . . ?
C3 C1 B1 110.6(2) . . ?
C3 C1 B4 133.6(2) . . ?
C3 C1 B8 134.0(2) . . ?
B1 C1 Rh1 67.48(14) . . ?
B4 C1 Rh1 126.2(2) . . ?
B4 C1 C2 110.0(2) . . ?
B4 C1 B1 62.6(2) . . ?
B4 C1 B8 64.2(2) . . ?
B8 C1 Rh1 124.99(17) . . ?
B8 C1 C2 59.94(16) . . ?
B8 C1 B1 114.2(2) . . ?
Rh1 C2 H2 105.6 . . ?
C1 C2 Rh1 64.95(12) . . ?
C1 C2 H2 124.4 . . ?
B3 C2 Rh1 71.23(14) . . ?
B3 C2 C1 111.6(2) . . ?
B3 C2 H2 116.1 . . ?
B3 C2 B8 116.1(2) . . ?
B7 C2 Rh1 129.12(19) . . ?
B7 C2 C1 110.1(2) . . ?
B7 C2 H2 115.1 . . ?
B7 C2 B3 64.25(18) . . ?
B7 C2 B8 63.02(18) . . ?
B8 C2 Rh1 122.25(17) . . ?
B8 C2 C1 59.43(16) . . ?
B8 C2 H2 117.3 . . ?
Rh1 C3 H3 111.4 . . ?
C1 C3 Rh1 61.85(14) . . ?
C1 C3 H3 111.4 . . ?
C1 C3 C4 130.9(3) . . ?
C4 C3 Rh1 120.53(19) . . ?
C4 C3 H3 111.4 . . ?
C5 C4 C3 123.4(3) . . ?
C5 C4 C9 118.2(3) . . ?
C9 C4 C3 118.4(3) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.7(3) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(3) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 H7 119.6 . . ?
C6 C7 C8 120.7(3) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 C9 119.3(3) . . ?
C7 C8 C13 121.3(3) . . ?
C13 C8 C9 119.4(3) . . ?
C8 C9 C4 119.3(3) . . ?
C10 C9 C4 123.1(3) . . ?
C10 C9 C8 117.6(3) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.3(3) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.7(3) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.9(3) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 H13 119.4 . . ?
C12 C13 C8 121.1(3) . . ?
C12 C13 H13 119.4 . . ?
Rh1 C14 H14 113.8 . . ?
C15 C14 Rh1 71.67(18) . . ?
C15 C14 H14 113.8 . . ?
C15 C14 C21 126.2(3) . . ?
C21 C14 Rh1 109.30(19) . . ?
C21 C14 H14 113.8 . . ?
Rh1 C15 H15 113.6 . . ?
C14 C15 Rh1 71.58(18) . . ?
C14 C15 H15 113.6 . . ?
C14 C15 C16 124.1(3) . . ?
C16 C15 Rh1 113.5(2) . . ?
C16 C15 H15 113.6 . . ?
C15 C16 H16A 108.7 . . ?
C15 C16 H16B 108.7 . . ?
C15 C16 C17 114.2(3) . . ?
H16A C16 H16B 107.6 . . ?
C17 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C16 C17 H17A 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 C16 113.5(2) . . ?
C18 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
Rh1 C18 H18 114.4 . . ?
C17 C18 Rh1 110.54(19) . . ?
C17 C18 H18 114.4 . . ?
C19 C18 Rh1 71.89(16) . . ?
C19 C18 C17 123.7(3) . . ?
C19 C18 H18 114.4 . . ?
Rh1 C19 H19 113.6 . . ?
C18 C19 Rh1 71.97(16) . . ?
C18 C19 H19 113.6 . . ?
C18 C19 C20 124.2(3) . . ?
C20 C19 Rh1 112.94(19) . . ?
C20 C19 H19 113.6 . . ?
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 . . ?
C14 C21 C20 113.8(2) . . ?
C14 C21 H21A 108.8 . . ?
C14 C21 H21B 108.8 . . ?
C20 C21 H21A 108.8 . . ?
C20 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
Rh1 B1 H1 109.0 . . ?
C1 B1 Rh1 63.69(13) . . ?
C1 B1 H1 127.2 . . ?
C1 B1 B2 106.8(2) . . ?
C1 B1 B4 55.85(17) . . ?
B2 B1 Rh1 70.45(16) . . ?
B2 B1 H1 119.9 . . ?
B4 B1 Rh1 116.4(2) . . ?
B4 B1 H1 121.5 . . ?
B4 B1 B2 109.0(2) . . ?
B5 B1 Rh1 122.4(2) . . ?
B5 B1 C1 103.6(2) . . ?
B5 B1 H1 119.8 . . ?
B5 B1 B2 60.0(2) . . ?
B5 B1 B4 60.8(2) . . ?
Rh1 B2 H2A 113.6 . . ?
B1 B2 Rh1 62.30(14) . . ?
B1 B2 H2A 124.1 . . ?
B3 B2 Rh1 65.84(15) . . ?
B3 B2 B1 106.9(2) . . ?
B3 B2 H2A 122.0 . . ?
B5 B2 Rh1 114.15(19) . . ?
B5 B2 B1 58.64(19) . . ?
B5 B2 H2A 121.9 . . ?
B5 B2 B3 106.5(2) . . ?
B5 B2 B6 59.2(2) . . ?
B6 B2 Rh1 116.92(19) . . ?
B6 B2 B1 106.0(2) . . ?
B6 B2 H2A 120.7 . . ?
B6 B2 B3 59.57(19) . . ?
Rh1 B3 H3A 111.1 . . ?
C2 B3 Rh1 63.47(14) . . ?
C2 B3 B2 107.1(2) . . ?
C2 B3 H3A 126.1 . . ?
C2 B3 B6 103.3(2) . . ?
C2 B3 B7 56.64(16) . . ?
B2 B3 Rh1 68.22(15) . . ?
B2 B3 H3A 120.5 . . ?
B2 B3 B7 108.0(2) . . ?
B6 B3 Rh1 119.3(2) . . ?
B6 B3 B2 60.05(19) . . ?
B6 B3 H3A 121.1 . . ?
B6 B3 B7 59.21(19) . . ?
B7 B3 Rh1 115.45(19) . . ?
B7 B3 H3A 122.0 . . ?
C1 B4 B1 61.58(19) . . ?
C1 B4 H4 122.6 . . ?
C1 B4 B5 106.4(3) . . ?
C1 B4 B8 58.88(17) . . ?
C1 B4 B9 106.1(2) . . ?
B1 B4 H4 120.9 . . ?
B1 B4 B5 58.7(2) . . ?
B1 B4 B8 109.2(2) . . ?
B5 B4 H4 123.0 . . ?
B8 B4 H4 121.6 . . ?
B8 B4 B5 107.3(2) . . ?
B9 B4 B1 107.5(2) . . ?
B9 B4 H4 122.6 . . ?
B9 B4 B5 59.6(2) . . ?
B9 B4 B8 59.80(19) . . ?
B1 B5 B2 61.4(2) . . ?
B1 B5 B4 60.5(2) . . ?
B1 B5 H5A 120.8 . . ?
B1 B5 B6 109.2(2) . . ?
B1 B5 B9 108.9(2) . . ?
B2 B5 B4 109.9(2) . . ?
B2 B5 H5A 120.0 . . ?
B4 B5 H5A 121.5 . . ?
B6 B5 B2 60.6(2) . . ?
B6 B5 B4 108.2(3) . . ?
B6 B5 H5A 121.4 . . ?
B6 B5 B9 60.7(2) . . ?
B9 B5 B2 110.0(2) . . ?
B9 B5 B4 59.5(2) . . ?
B9 B5 H5A 121.1 . . ?
B2 B6 H6A 120.8 . . ?
B3 B6 B2 60.37(19) . . ?
B3 B6 H6A 121.3 . . ?
B3 B6 B9 108.9(2) . . ?
B5 B6 B2 60.2(2) . . ?
B5 B6 B3 108.0(2) . . ?
B5 B6 H6A 122.1 . . ?
B5 B6 B7 108.0(2) . . ?
B5 B6 B9 59.9(2) . . ?
B7 B6 B2 109.5(2) . . ?
B7 B6 B3 60.83(18) . . ?
B7 B6 H6A 121.1 . . ?
B7 B6 B9 60.2(2) . . ?
B9 B6 B2 109.2(2) . . ?
B9 B6 H6A 121.2 . . ?
C2 B7 B3 59.11(17) . . ?
C2 B7 B6 105.8(2) . . ?
C2 B7 H7A 123.8 . . ?
C2 B7 B8 59.90(16) . . ?
C2 B7 B9 105.9(2) . . ?
B3 B7 H7A 121.2 . . ?
B6 B7 B3 59.96(19) . . ?
B6 B7 H7A 121.9 . . ?
B6 B7 B8 109.2(2) . . ?
B6 B7 B9 60.5(2) . . ?
B8 B7 B3 109.3(2) . . ?
B8 B7 H7A 120.5 . . ?
B8 B7 B9 60.14(18) . . ?
B9 B7 B3 108.5(2) . . ?
B9 B7 H7A 122.0 . . ?
C1 B8 C2 60.63(15) . . ?
C1 B8 B4 56.91(18) . . ?
C1 B8 B7 106.3(2) . . ?
C1 B8 H8 123.4 . . ?
C1 B8 B9 104.2(2) . . ?
C2 B8 B4 104.8(2) . . ?
C2 B8 B7 57.07(17) . . ?
C2 B8 H8 124.1 . . ?
C2 B8 B9 103.9(2) . . ?
B4 B8 H8 123.1 . . ?
B7 B8 B4 107.4(2) . . ?
B7 B8 H8 122.1 . . ?
B7 B8 B9 60.31(19) . . ?
B9 B8 B4 59.42(19) . . ?
B9 B8 H8 123.6 . . ?
B4 B9 B5 60.9(2) . . ?
B4 B9 B6 108.3(3) . . ?
B4 B9 B7 107.9(2) . . ?
B4 B9 B8 60.78(19) . . ?
B4 B9 H9 121.0 . . ?
B5 B9 B6 59.4(2) . . ?
B5 B9 B7 107.0(2) . . ?
B5 B9 B8 109.0(2) . . ?
B5 B9 H9 121.6 . . ?
B6 B9 H9 122.1 . . ?
B7 B9 B6 59.35(19) . . ?
B7 B9 H9 122.6 . . ?
B8 B9 B6 107.8(2) . . ?
B8 B9 B7 59.56(18) . . ?
B8 B9 H9 121.2 . . ?

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
Rh1 C1 C2 B3 -55.43(18) . . . . ?
Rh1 C1 C2 B7 -124.8(2) . . . . ?
Rh1 C1 C2 B8 -163.78(19) . . . . ?
Rh1 C1 C3 C4 -107.4(3) . . . . ?
Rh1 C1 B1 B2 57.34(19) . . . . ?
Rh1 C1 B1 B4 159.23(19) . . . . ?
Rh1 C1 B1 B5 119.7(2) . . . . ?
Rh1 C1 B4 B1 -23.9(2) . . . . ?
Rh1 C1 B4 B5 15.2(3) . . . . ?
Rh1 C1 B4 B8 115.8(2) . . . . ?
Rh1 C1 B4 B9 77.6(3) . . . . ?
Rh1 C1 B8 C2 18.3(2) . . . . ?
Rh1 C1 B8 B4 -117.5(3) . . . . ?
Rh1 C1 B8 B7 -17.1(3) . . . . ?
Rh1 C1 B8 B9 -79.8(3) . . . . ?
Rh1 C2 B3 B2 -54.04(19) . . . . ?
Rh1 C2 B3 B6 -116.4(2) . . . . ?
Rh1 C2 B3 B7 -154.66(19) . . . . ?
Rh1 C2 B7 B3 31.5(2) . . . . ?
Rh1 C2 B7 B6 -7.6(3) . . . . ?
Rh1 C2 B7 B8 -111.0(2) . . . . ?
Rh1 C2 B7 B9 -70.8(3) . . . . ?
Rh1 C2 B8 C1 -17.4(2) . . . . ?
Rh1 C2 B8 B4 19.7(3) . . . . ?
Rh1 C2 B8 B7 121.1(2) . . . . ?
Rh1 C2 B8 B9 81.3(2) . . . . ?
Rh1 C3 C4 C5 -78.8(3) . . . . ?
Rh1 C3 C4 C9 104.2(3) . . . . ?
Rh1 C14 C15 C16 106.4(3) . . . . ?
Rh1 C14 C21 C20 -39.6(3) . . . . ?
Rh1 C15 C16 C17 -8.7(4) . . . . ?
Rh1 C18 C19 C20 105.9(3) . . . . ?
Rh1 C19 C20 C21 -11.9(4) . . . . ?
Rh1 B1 B2 B3 50.04(19) . . . . ?
Rh1 B1 B2 B5 149.4(2) . . . . ?
Rh1 B1 B2 B6 112.4(2) . . . . ?
Rh1 B1 B4 C1 20.79(19) . . . . ?
Rh1 B1 B4 B5 -114.0(2) . . . . ?
Rh1 B1 B4 B8 -15.1(3) . . . . ?
Rh1 B1 B4 B9 -78.4(3) . . . . ?
Rh1 B1 B5 B2 -34.6(2) . . . . ?
Rh1 B1 B5 B4 104.4(3) . . . . ?
Rh1 B1 B5 B6 3.8(4) . . . . ?
Rh1 B1 B5 B9 68.5(3) . . . . ?
Rh1 B2 B3 C2 51.25(17) . . . . ?
Rh1 B2 B3 B6 147.0(2) . . . . ?
Rh1 B2 B3 B7 110.9(2) . . . . ?
Rh1 B2 B5 B1 29.6(2) . . . . ?
Rh1 B2 B5 B4 -7.9(3) . . . . ?
Rh1 B2 B5 B6 -108.1(2) . . . . ?
Rh1 B2 B5 B9 -71.6(3) . . . . ?
Rh1 B2 B6 B3 -33.9(2) . . . . ?
Rh1 B2 B6 B5 103.4(2) . . . . ?
Rh1 B2 B6 B7 3.3(3) . . . . ?
Rh1 B2 B6 B9 67.5(3) . . . . ?
Rh1 B3 B6 B2 35.4(2) . . . . ?
Rh1 B3 B6 B5 -2.8(3) . . . . ?
Rh1 B3 B6 B7 -103.8(2) . . . . ?
Rh1 B3 B6 B9 -66.3(3) . . . . ?
Rh1 B3 B7 C2 -25.10(18) . . . . ?
Rh1 B3 B7 B6 110.3(2) . . . . ?
Rh1 B3 B7 B8 8.9(3) . . . . ?
Rh1 B3 B7 B9 72.8(3) . . . . ?
C1 C2 B3 Rh1 51.99(16) . . . . ?
C1 C2 B3 B2 -2.1(3) . . . . ?
C1 C2 B3 B6 -64.4(3) . . . . ?
C1 C2 B3 B7 -102.7(2) . . . . ?
C1 C2 B7 B3 105.0(2) . . . . ?
C1 C2 B7 B6 65.9(3) . . . . ?
C1 C2 B7 B8 -37.4(2) . . . . ?
C1 C2 B7 B9 2.7(3) . . . . ?
C1 C2 B8 B4 37.14(19) . . . . ?
C1 C2 B8 B7 138.5(2) . . . . ?
C1 C2 B8 B9 98.7(2) . . . . ?
C1 C3 C4 C5 -1.1(5) . . . . ?
C1 C3 C4 C9 -178.1(3) . . . . ?
C1 B1 B2 Rh1 -53.21(17) . . . . ?
C1 B1 B2 B3 -3.2(3) . . . . ?
C1 B1 B2 B5 96.2(3) . . . . ?
C1 B1 B2 B6 59.2(3) . . . . ?
C1 B1 B4 B5 -134.8(2) . . . . ?
C1 B1 B4 B8 -35.8(2) . . . . ?
C1 B1 B4 B9 -99.2(2) . . . . ?
C1 B1 B5 B2 -101.8(2) . . . . ?
C1 B1 B5 B4 37.2(2) . . . . ?
C1 B1 B5 B6 -63.4(3) . . . . ?
C1 B1 B5 B9 1.2(3) . . . . ?
C1 B4 B5 B1 -40.6(2) . . . . ?
C1 B4 B5 B2 -2.8(3) . . . . ?
C1 B4 B5 B6 61.7(3) . . . . ?
C1 B4 B5 B9 99.3(2) . . . . ?
C1 B4 B8 C2 -38.90(19) . . . . ?
C1 B4 B8 B7 -98.5(2) . . . . ?
C1 B4 B8 B9 -136.5(2) . . . . ?
C1 B4 B9 B5 -99.9(3) . . . . ?
C1 B4 B9 B6 -62.8(3) . . . . ?
C1 B4 B9 B7 0.0(3) . . . . ?
C1 B4 B9 B8 37.8(2) . . . . ?
C1 B8 B9 B4 -36.5(2) . . . . ?
C1 B8 B9 B5 2.0(3) . . . . ?
C1 B8 B9 B6 65.0(3) . . . . ?
C1 B8 B9 B7 100.9(2) . . . . ?
C2 C1 C3 Rh1 60.04(17) . . . . ?
C2 C1 C3 C4 -47.3(4) . . . . ?
C2 C1 B1 Rh1 -55.36(15) . . . . ?
C2 C1 B1 B2 2.0(3) . . . . ?
C2 C1 B1 B4 103.9(2) . . . . ?
C2 C1 B1 B5 64.3(3) . . . . ?
C2 C1 B4 B1 -99.9(2) . . . . ?
C2 C1 B4 B5 -60.7(3) . . . . ?
C2 C1 B4 B8 39.9(2) . . . . ?
C2 C1 B4 B9 1.7(3) . . . . ?
C2 C1 B8 B4 -135.8(2) . . . . ?
C2 C1 B8 B7 -35.4(2) . . . . ?
C2 C1 B8 B9 -98.2(2) . . . . ?
C2 B3 B6 B2 102.3(2) . . . . ?
C2 B3 B6 B5 64.0(3) . . . . ?
C2 B3 B6 B7 -37.02(19) . . . . ?
C2 B3 B6 B9 0.5(3) . . . . ?
C2 B3 B7 B6 135.4(2) . . . . ?
C2 B3 B7 B8 34.0(2) . . . . ?
C2 B3 B7 B9 97.9(2) . . . . ?
C2 B7 B8 C1 37.0(2) . . . . ?
C2 B7 B8 B4 96.7(2) . . . . ?
C2 B7 B8 B9 134.3(2) . . . . ?
C2 B7 B9 B4 -1.7(3) . . . . ?
C2 B7 B9 B5 62.4(3) . . . . ?
C2 B7 B9 B6 99.4(2) . . . . ?
C2 B7 B9 B8 -40.0(2) . . . . ?
C2 B8 B9 B4 -99.2(2) . . . . ?
C2 B8 B9 B5 -60.7(3) . . . . ?
C2 B8 B9 B6 2.2(3) . . . . ?
C2 B8 B9 B7 38.2(2) . . . . ?
C3 C1 C2 Rh1 -68.4(2) . . . . ?
C3 C1 C2 B3 -123.8(3) . . . . ?
C3 C1 C2 B7 166.8(2) . . . . ?
C3 C1 C2 B8 127.8(3) . . . . ?
C3 C1 B1 Rh1 71.34(19) . . . . ?
C3 C1 B1 B2 128.7(2) . . . . ?
C3 C1 B1 B4 -129.4(2) . . . . ?
C3 C1 B1 B5 -169.0(2) . . . . ?
C3 C1 B4 B1 93.0(3) . . . . ?
C3 C1 B4 B5 132.2(3) . . . . ?
C3 C1 B4 B8 -127.2(3) . . . . ?
C3 C1 B4 B9 -165.5(3) . . . . ?
C3 C1 B8 C2 -97.4(3) . . . . ?
C3 C1 B8 B4 126.7(3) . . . . ?
C3 C1 B8 B7 -132.9(3) . . . . ?
C3 C1 B8 B9 164.4(3) . . . . ?
C3 C4 C5 C6 -177.7(3) . . . . ?
C3 C4 C9 C8 176.7(3) . . . . ?
C3 C4 C9 C10 -2.7(4) . . . . ?
C4 C5 C6 C7 1.2(5) . . . . ?
C4 C9 C10 C11 179.2(3) . . . . ?
C5 C4 C9 C8 -0.5(4) . . . . ?
C5 C4 C9 C10 -179.9(3) . . . . ?
C5 C6 C7 C8 -0.5(5) . . . . ?
C6 C7 C8 C9 -0.6(5) . . . . ?
C6 C7 C8 C13 -179.8(3) . . . . ?
C7 C8 C9 C4 1.2(4) . . . . ?
C7 C8 C9 C10 -179.4(3) . . . . ?
C7 C8 C13 C12 179.5(3) . . . . ?
C8 C9 C10 C11 -0.2(4) . . . . ?
C9 C4 C5 C6 -0.6(4) . . . . ?
C9 C8 C13 C12 0.4(4) . . . . ?
C9 C10 C11 C12 0.5(5) . . . . ?
C10 C11 C12 C13 -0.4(5) . . . . ?
C11 C12 C13 C8 0.0(5) . . . . ?
C13 C8 C9 C4 -179.7(3) . . . . ?
C13 C8 C9 C10 -0.3(4) . . . . ?
C14 C15 C16 C17 -91.7(4) . . . . ?
C15 C14 C21 C20 41.4(4) . . . . ?
C15 C16 C17 C18 28.0(4) . . . . ?
C16 C17 C18 Rh1 -33.1(3) . . . . ?
C16 C17 C18 C19 48.3(4) . . . . ?
C17 C18 C19 Rh1 -103.0(3) . . . . ?
C17 C18 C19 C20 2.9(4) . . . . ?
C18 C19 C20 C21 -95.1(4) . . . . ?
C19 C20 C21 C14 34.4(4) . . . . ?
C21 C14 C15 Rh1 -100.9(3) . . . . ?
C21 C14 C15 C16 5.5(5) . . . . ?
B1 C1 C2 Rh1 55.47(17) . . . . ?
B1 C1 C2 B3 0.0(3) . . . . ?
B1 C1 C2 B7 -69.3(3) . . . . ?
B1 C1 C2 B8 -108.3(2) . . . . ?
B1 C1 C3 Rh1 -62.15(17) . . . . ?
B1 C1 C3 C4 -169.5(3) . . . . ?
B1 C1 B4 B5 39.2(2) . . . . ?
B1 C1 B4 B8 139.8(2) . . . . ?
B1 C1 B4 B9 101.5(3) . . . . ?
B1 C1 B8 C2 96.9(2) . . . . ?
B1 C1 B8 B4 -38.9(2) . . . . ?
B1 C1 B8 B7 61.5(3) . . . . ?
B1 C1 B8 B9 -1.3(3) . . . . ?
B1 B2 B3 Rh1 -48.05(19) . . . . ?
B1 B2 B3 C2 3.2(3) . . . . ?
B1 B2 B3 B6 99.0(3) . . . . ?
B1 B2 B3 B7 62.9(3) . . . . ?
B1 B2 B5 B4 -37.4(2) . . . . ?
B1 B2 B5 B6 -137.6(3) . . . . ?
B1 B2 B5 B9 -101.2(3) . . . . ?
B1 B2 B6 B3 -100.5(2) . . . . ?
B1 B2 B6 B5 36.8(2) . . . . ?
B1 B2 B6 B7 -63.3(3) . . . . ?
B1 B2 B6 B9 0.9(3) . . . . ?
B1 B4 B5 B2 37.8(2) . . . . ?
B1 B4 B5 B6 102.2(3) . . . . ?
B1 B4 B5 B9 139.9(2) . . . . ?
B1 B4 B8 C1 37.0(2) . . . . ?
B1 B4 B8 C2 -1.9(3) . . . . ?
B1 B4 B8 B7 -61.5(3) . . . . ?
B1 B4 B8 B9 -99.5(2) . . . . ?
B1 B4 B9 B5 -35.3(2) . . . . ?
B1 B4 B9 B6 1.9(3) . . . . ?
B1 B4 B9 B7 64.6(3) . . . . ?
B1 B4 B9 B8 102.4(2) . . . . ?
B1 B5 B6 B2 -38.8(2) . . . . ?
B1 B5 B6 B3 -0.4(4) . . . . ?
B1 B5 B6 B7 63.9(3) . . . . ?
B1 B5 B6 B9 101.4(3) . . . . ?
B1 B5 B9 B4 36.4(2) . . . . ?
B1 B5 B9 B6 -101.9(3) . . . . ?
B1 B5 B9 B7 -65.0(3) . . . . ?
B1 B5 B9 B8 -2.0(3) . . . . ?
B2 B1 B4 C1 97.8(2) . . . . ?
B2 B1 B4 B5 -37.0(2) . . . . ?
B2 B1 B4 B8 62.0(3) . . . . ?
B2 B1 B4 B9 -1.3(3) . . . . ?
B2 B1 B5 B4 139.0(2) . . . . ?
B2 B1 B5 B6 38.4(2) . . . . ?
B2 B1 B5 B9 103.0(3) . . . . ?
B2 B3 B6 B5 -38.3(2) . . . . ?
B2 B3 B6 B7 -139.3(2) . . . . ?
B2 B3 B6 B9 -101.8(3) . . . . ?
B2 B3 B7 C2 -99.0(2) . . . . ?
B2 B3 B7 B6 36.5(2) . . . . ?
B2 B3 B7 B8 -65.0(3) . . . . ?
B2 B3 B7 B9 -1.1(3) . . . . ?
B2 B5 B6 B3 38.3(2) . . . . ?
B2 B5 B6 B7 102.7(3) . . . . ?
B2 B5 B6 B9 140.2(2) . . . . ?
B2 B5 B9 B4 101.9(3) . . . . ?
B2 B5 B9 B6 -36.4(2) . . . . ?
B2 B5 B9 B7 0.5(3) . . . . ?
B2 B5 B9 B8 63.5(3) . . . . ?
B2 B6 B7 C2 1.7(3) . . . . ?
B2 B6 B7 B3 -37.0(2) . . . . ?
B2 B6 B7 B8 64.8(3) . . . . ?
B2 B6 B7 B9 101.4(3) . . . . ?
B2 B6 B9 B4 -1.7(3) . . . . ?
B2 B6 B9 B5 36.0(2) . . . . ?
B2 B6 B9 B7 -102.0(2) . . . . ?
B2 B6 B9 B8 -66.0(3) . . . . ?
B3 C2 B7 B6 -39.1(2) . . . . ?
B3 C2 B7 B8 -142.5(2) . . . . ?
B3 C2 B7 B9 -102.3(2) . . . . ?
B3 C2 B8 C1 -100.8(2) . . . . ?
B3 C2 B8 B4 -63.7(3) . . . . ?
B3 C2 B8 B7 37.7(2) . . . . ?
B3 C2 B8 B9 -2.1(3) . . . . ?
B3 B2 B5 B1 100.0(2) . . . . ?
B3 B2 B5 B4 62.6(3) . . . . ?
B3 B2 B5 B6 -37.6(2) . . . . ?
B3 B2 B5 B9 -1.2(3) . . . . ?
B3 B2 B6 B5 137.2(2) . . . . ?
B3 B2 B6 B7 37.2(2) . . . . ?
B3 B2 B6 B9 101.4(3) . . . . ?
B3 B6 B7 C2 38.7(2) . . . . ?
B3 B6 B7 B8 101.8(2) . . . . ?
B3 B6 B7 B9 138.4(2) . . . . ?
B3 B6 B9 B4 62.5(3) . . . . ?
B3 B6 B9 B5 100.3(3) . . . . ?
B3 B6 B9 B7 -37.8(2) . . . . ?
B3 B6 B9 B8 -1.7(3) . . . . ?
B3 B7 B8 C1 3.4(3) . . . . ?
B3 B7 B8 C2 -33.7(2) . . . . ?
B3 B7 B8 B4 63.1(3) . . . . ?
B3 B7 B8 B9 100.7(3) . . . . ?
B3 B7 B9 B4 -63.8(3) . . . . ?
B3 B7 B9 B5 0.3(3) . . . . ?
B3 B7 B9 B6 37.3(2) . . . . ?
B3 B7 B9 B8 -102.2(2) . . . . ?
B4 C1 C2 Rh1 121.9(2) . . . . ?
B4 C1 C2 B3 66.5(3) . . . . ?
B4 C1 C2 B7 -2.9(3) . . . . ?
B4 C1 C2 B8 -41.9(2) . . . . ?
B4 C1 C3 Rh1 -133.4(3) . . . . ?
B4 C1 C3 C4 119.3(4) . . . . ?
B4 C1 B1 Rh1 -159.23(19) . . . . ?
B4 C1 B1 B2 -101.9(3) . . . . ?
B4 C1 B1 B5 -39.6(2) . . . . ?
B4 C1 B8 C2 135.8(2) . . . . ?
B4 C1 B8 B7 100.4(3) . . . . ?
B4 C1 B8 B9 37.7(2) . . . . ?
B4 B1 B2 Rh1 -112.1(2) . . . . ?
B4 B1 B2 B3 -62.1(3) . . . . ?
B4 B1 B2 B5 37.3(2) . . . . ?
B4 B1 B2 B6 0.3(3) . . . . ?
B4 B1 B5 B2 -139.0(2) . . . . ?
B4 B1 B5 B6 -100.6(3) . . . . ?
B4 B1 B5 B9 -35.9(2) . . . . ?
B4 B5 B6 B2 -103.1(3) . . . . ?
B4 B5 B6 B3 -64.7(3) . . . . ?
B4 B5 B6 B7 -0.4(3) . . . . ?
B4 B5 B6 B9 37.1(2) . . . . ?
B4 B5 B9 B6 -138.3(3) . . . . ?
B4 B5 B9 B7 -101.4(2) . . . . ?
B4 B5 B9 B8 -38.4(2) . . . . ?
B4 B8 B9 B5 38.5(2) . . . . ?
B4 B8 B9 B6 101.4(3) . . . . ?
B4 B8 B9 B7 137.4(2) . . . . ?
B5 B1 B2 Rh1 -149.4(2) . . . . ?
B5 B1 B2 B3 -99.4(3) . . . . ?
B5 B1 B2 B6 -37.0(2) . . . . ?
B5 B1 B4 C1 134.8(2) . . . . ?
B5 B1 B4 B8 99.0(2) . . . . ?
B5 B1 B4 B9 35.6(2) . . . . ?
B5 B2 B3 Rh1 -109.5(2) . . . . ?
B5 B2 B3 C2 -58.3(3) . . . . ?
B5 B2 B3 B6 37.5(2) . . . . ?
B5 B2 B3 B7 1.4(3) . . . . ?
B5 B2 B6 B3 -137.2(2) . . . . ?
B5 B2 B6 B7 -100.1(3) . . . . ?
B5 B2 B6 B9 -35.9(2) . . . . ?
B5 B4 B8 C1 99.1(3) . . . . ?
B5 B4 B8 C2 60.2(3) . . . . ?
B5 B4 B8 B7 0.6(3) . . . . ?
B5 B4 B8 B9 -37.4(2) . . . . ?
B5 B4 B9 B6 37.1(2) . . . . ?
B5 B4 B9 B7 99.9(3) . . . . ?
B5 B4 B9 B8 137.7(2) . . . . ?
B5 B6 B7 C2 -62.2(3) . . . . ?
B5 B6 B7 B3 -101.0(3) . . . . ?
B5 B6 B7 B8 0.8(3) . . . . ?
B5 B6 B7 B9 37.4(2) . . . . ?
B5 B6 B9 B4 -37.8(2) . . . . ?
B5 B6 B9 B7 -138.1(2) . . . . ?
B5 B6 B9 B8 -102.0(3) . . . . ?
B6 B2 B3 Rh1 -147.0(2) . . . . ?
B6 B2 B3 C2 -95.8(2) . . . . ?
B6 B2 B3 B7 -36.1(2) . . . . ?
B6 B2 B5 B1 137.6(3) . . . . ?
B6 B2 B5 B4 100.2(3) . . . . ?
B6 B2 B5 B9 36.4(2) . . . . ?
B6 B3 B7 C2 -135.4(2) . . . . ?
B6 B3 B7 B8 -101.5(3) . . . . ?
B6 B3 B7 B9 -37.5(2) . . . . ?
B6 B5 B9 B4 138.3(3) . . . . ?
B6 B5 B9 B7 36.9(2) . . . . ?
B6 B5 B9 B8 99.9(3) . . . . ?
B6 B7 B8 C1 -60.6(3) . . . . ?
B6 B7 B8 C2 -97.6(2) . . . . ?
B6 B7 B8 B4 -0.9(3) . . . . ?
B6 B7 B8 B9 36.8(2) . . . . ?
B6 B7 B9 B4 -101.1(3) . . . . ?
B6 B7 B9 B5 -37.0(2) . . . . ?
B6 B7 B9 B8 -139.5(2) . . . . ?
B7 C2 B3 Rh1 154.66(19) . . . . ?
B7 C2 B3 B2 100.6(2) . . . . ?
B7 C2 B3 B6 38.3(2) . . . . ?
B7 C2 B8 C1 -138.5(2) . . . . ?
B7 C2 B8 B4 -101.3(2) . . . . ?
B7 C2 B8 B9 -39.8(2) . . . . ?
B7 B3 B6 B2 139.3(2) . . . . ?
B7 B3 B6 B5 101.0(3) . . . . ?
B7 B3 B6 B9 37.5(2) . . . . ?
B7 B6 B9 B4 100.3(2) . . . . ?
B7 B6 B9 B5 138.1(2) . . . . ?
B7 B6 B9 B8 36.0(2) . . . . ?
B7 B8 B9 B4 -137.4(2) . . . . ?
B7 B8 B9 B5 -98.9(3) . . . . ?
B7 B8 B9 B6 -36.0(2) . . . . ?
B8 C1 C2 Rh1 163.78(19) . . . . ?
B8 C1 C2 B3 108.3(2) . . . . ?
B8 C1 C2 B7 39.0(2) . . . . ?
B8 C1 C3 Rh1 131.8(3) . . . . ?
B8 C1 C3 C4 24.4(5) . . . . ?
B8 C1 B1 Rh1 -119.6(2) . . . . ?
B8 C1 B1 B2 -62.3(3) . . . . ?
B8 C1 B1 B4 39.6(2) . . . . ?
B8 C1 B1 B5 0.1(3) . . . . ?
B8 C1 B4 B1 -139.8(2) . . . . ?
B8 C1 B4 B5 -100.6(2) . . . . ?
B8 C1 B4 B9 -38.2(2) . . . . ?
B8 C2 B3 Rh1 117.5(2) . . . . ?
B8 C2 B3 B2 63.4(3) . . . . ?
B8 C2 B3 B6 1.1(3) . . . . ?
B8 C2 B3 B7 -37.2(2) . . . . ?
B8 C2 B7 B3 142.5(2) . . . . ?
B8 C2 B7 B6 103.3(2) . . . . ?
B8 C2 B7 B9 40.2(2) . . . . ?
B8 B4 B5 B1 -102.4(3) . . . . ?
B8 B4 B5 B2 -64.6(3) . . . . ?
B8 B4 B5 B6 -0.1(3) . . . . ?
B8 B4 B5 B9 37.5(2) . . . . ?
B8 B4 B9 B5 -137.7(2) . . . . ?
B8 B4 B9 B6 -100.6(3) . . . . ?
B8 B4 B9 B7 -37.8(2) . . . . ?
B8 B7 B9 B4 38.4(2) . . . . ?
B8 B7 B9 B5 102.5(2) . . . . ?
B8 B7 B9 B6 139.5(2) . . . . ?
B9 B4 B5 B1 -139.9(2) . . . . ?
B9 B4 B5 B2 -102.1(3) . . . . ?
B9 B4 B5 B6 -37.6(2) . . . . ?
B9 B4 B8 C1 136.5(2) . . . . ?
B9 B4 B8 C2 97.6(2) . . . . ?
B9 B4 B8 B7 38.0(2) . . . . ?
B9 B5 B6 B2 -140.2(2) . . . . ?
B9 B5 B6 B3 -101.9(3) . . . . ?
B9 B5 B6 B7 -37.5(2) . . . . ?
B9 B6 B7 C2 -99.7(2) . . . . ?
B9 B6 B7 B3 -138.4(2) . . . . ?
B9 B6 B7 B8 -36.6(2) . . . . ?
B9 B7 B8 C1 -97.3(2) . . . . ?
B9 B7 B8 C2 -134.3(2) . . . . ?
B9 B7 B8 B4 -37.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5-Rh-Naph_1
_database_code_depnum_ccdc_archive 'CCDC 2019607'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_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         'C21 H30 B9 Rh'
_chemical_formula_sum            'C21 H30 B9 Rh'
_chemical_formula_weight         482.65
_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
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'
Rh Rh -1.1178 0.9187 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   10.828(8)
_cell_length_b                   14.330(11)
_cell_length_c                   14.723(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2284(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6998
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.297
_cell_measurement_theta_min      2.335
_shelx_estimated_absorpt_T_max   0.882
_shelx_estimated_absorpt_T_min   0.870
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light orange'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1241
_diffrn_reflns_av_unetI/netI     0.0699
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21405
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.983
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.758
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                3698
_reflns_number_total             4030
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    ?
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 
;
 Flack x determined using 1443 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4030
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.030
_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)+(0.0219P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0682
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H3(0.028) H5(0.037) H6(0.045) H7(0.047) H10(0.039) H11(0.048)
 H12(0.061) H13(0.058) H14(0.045) H15(0.041) H16A(0.055) H16B(0.055)
 H17A(0.044) H17B(0.044) H18(0.04) H19(0.044) H20A(0.065) H20B(0.065)
 H21A(0.066) H21B(0.066) H1A(0.032) H2(0.038) H3A(0.039) H4(0.046) H5A(0.044)
 H6A(0.057) H7A(0.046) H8(0.046) H9(0.061)
 Fixed X: H3(0.3332) H5(0.126) H6(-0.0892) H7(-0.1825) H10(0.2576) H11(0.1588)
 H12(-0.0563) H13(-0.1695) H14(0.6298) H15(0.4618) H16A(0.3165) H16B(0.3931)
 H17A(0.2224) H17B(0.1857) H18(0.2259) H19(0.3947) H20A(0.5206) H20B(0.4411)
 H21A(0.626) H21B(0.6613) H1A(0.6874) H2(0.505) H3A(0.2626) H4(0.7023)
 H5A(0.6688) H6A(0.4066) H7A(0.2803) H8(0.4631) H9(0.533)
 Fixed Y: H3(0.5149) H5(0.3308) H6(0.3399) H7(0.4725) H10(0.6221) H11(0.7524)
 H12(0.7596) H13(0.6339) H14(0.4935) H15(0.5732) H16A(0.5975) H16B(0.539)
 H17A(0.4564) H17B(0.4838) H18(0.3259) H19(0.2546) H20A(0.3127) H20B(0.404)
 H21A(0.4621) H21B(0.3748) H1A(0.3322) H2(0.1845) H3A(0.2454) H4(0.3521)
 H5A(0.1693) H6A(0.1199) H7A(0.2741) H8(0.4192) H9(0.2211)
 Fixed Z: H3(0.2878) H5(0.2674) H6(0.275) H7(0.326) H10(0.378) H11(0.428)
 H12(0.4318) H13(0.386) H14(0.4625) H15(0.4421) H16A(0.5448) H16B(0.6148)
 H17A(0.6176) H17B(0.5183) H18(0.5089) H19(0.5555) H20A(0.6608) H20B(0.6638)
 H21A(0.6262) H21B(0.5675) H1A(0.3926) H2(0.4329) H3A(0.3654) H4(0.1955)
 H5A(0.2785) H6A(0.258) H7A(0.1656) H8(0.127) H9(0.1125)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.43156(3) 0.38030(3) 0.41542(3) 0.01931(12) Uani 1 1 d . . . . .
C1 C 0.5271(5) 0.4056(4) 0.2902(5) 0.0265(16) Uani 1 1 d . . . . .
C2 C 0.3724(4) 0.3788(5) 0.2777(4) 0.0225(13) Uani 1 1 d . . . . .
C3 C 0.2993(5) 0.4549(4) 0.3080(4) 0.0234(13) Uani 1 1 d . . . . .
H3 H 0.3332 0.5149 0.2878 0.028 Uiso 1 1 calc R . . . .
C4 C 0.1634(5) 0.4585(4) 0.3174(4) 0.0260(14) Uani 1 1 d . . . . .
C5 C 0.0892(4) 0.3849(4) 0.2894(4) 0.0307(13) Uani 1 1 d . . . . .
H5 H 0.1260 0.3308 0.2674 0.037 Uiso 1 1 calc R . . . .
C6 C -0.0414(5) 0.3904(5) 0.2935(4) 0.0375(16) Uani 1 1 d . . . . .
H6 H -0.0892 0.3399 0.2750 0.045 Uiso 1 1 calc R . . . .
C7 C -0.0967(5) 0.4692(5) 0.3244(5) 0.0391(17) Uani 1 1 d . . . . .
H7 H -0.1825 0.4725 0.3260 0.047 Uiso 1 1 calc R . . . .
C8 C -0.0259(5) 0.5466(5) 0.3541(5) 0.0360(18) Uani 1 1 d . . . . .
C9 C 0.1058(5) 0.5427(4) 0.3501(4) 0.0263(14) Uani 1 1 d . . . . .
C10 C 0.1717(5) 0.6229(5) 0.3793(4) 0.0322(15) Uani 1 1 d . . . . .
H10 H 0.2576 0.6221 0.3780 0.039 Uiso 1 1 calc R . . . .
C11 C 0.1126(6) 0.7012(4) 0.4091(6) 0.0400(17) Uani 1 1 d . . . . .
H11 H 0.1588 0.7524 0.4280 0.048 Uiso 1 1 calc R . . . .
C12 C -0.0169(6) 0.7058(5) 0.4118(6) 0.0505(19) Uani 1 1 d . . . . .
H12 H -0.0563 0.7596 0.4318 0.061 Uiso 1 1 calc R . . . .
C13 C -0.0837(6) 0.6306(5) 0.3846(5) 0.0485(19) Uani 1 1 d . . . . .
H13 H -0.1695 0.6339 0.3860 0.058 Uiso 1 1 calc R . . . .
C14 C 0.5591(6) 0.4698(4) 0.4971(5) 0.0371(16) Uani 1 1 d . . . . .
H14 H 0.6298 0.4935 0.4625 0.045 Uiso 1 1 calc R . . . .
C15 C 0.4522(5) 0.5211(4) 0.4846(4) 0.0340(16) Uani 1 1 d . . . . .
H15 H 0.4618 0.5732 0.4421 0.041 Uiso 1 1 calc R . . . .
C16 C 0.3543(6) 0.5371(5) 0.5554(5) 0.0455(19) Uani 1 1 d . . . . .
H16A H 0.3165 0.5975 0.5448 0.055 Uiso 1 1 calc R . . . .
H16B H 0.3931 0.5390 0.6148 0.055 Uiso 1 1 calc R . . . .
C17 C 0.2535(6) 0.4627(4) 0.5561(4) 0.0364(17) Uani 1 1 d . . . . .
H17A H 0.2224 0.4564 0.6176 0.044 Uiso 1 1 calc R . . . .
H17B H 0.1857 0.4838 0.5183 0.044 Uiso 1 1 calc R . . . .
C18 C 0.2942(5) 0.3683(5) 0.5233(4) 0.0336(15) Uani 1 1 d . . . . .
H18 H 0.2259 0.3259 0.5089 0.040 Uiso 1 1 calc R . . . .
C19 C 0.4016(6) 0.3228(4) 0.5536(4) 0.0365(17) Uani 1 1 d . . . . .
H19 H 0.3947 0.2546 0.5555 0.044 Uiso 1 1 calc R . . . .
C20 C 0.4876(7) 0.3630(6) 0.6241(5) 0.054(2) Uani 1 1 d . . . . .
H20A H 0.5206 0.3127 0.6608 0.065 Uiso 1 1 calc R . . . .
H20B H 0.4411 0.4040 0.6638 0.065 Uiso 1 1 calc R . . . .
C21 C 0.5949(7) 0.4178(5) 0.5819(6) 0.055(2) Uani 1 1 d . . . . .
H21A H 0.6260 0.4621 0.6262 0.066 Uiso 1 1 calc R . . . .
H21B H 0.6613 0.3748 0.5675 0.066 Uiso 1 1 calc R . . . .
B1 B 0.6060(5) 0.3212(5) 0.3492(5) 0.0268(16) Uani 1 1 d . . . . .
H1A H 0.6874 0.3322 0.3926 0.032 Uiso 1 1 calc R . . . .
B2 B 0.4948(6) 0.2317(5) 0.3745(6) 0.0316(17) Uani 1 1 d . . . . .
H2 H 0.5050 0.1845 0.4329 0.038 Uiso 1 1 calc R . . . .
B3 B 0.3479(6) 0.2699(5) 0.3324(6) 0.0321(18) Uani 1 1 d . . . . .
H3A H 0.2626 0.2454 0.3654 0.039 Uiso 1 1 calc R . . . .
B4 B 0.6153(7) 0.3322(6) 0.2288(6) 0.038(2) Uani 1 1 d . . . . .
H4 H 0.7023 0.3521 0.1955 0.046 Uiso 1 1 calc R . . . .
B5 B 0.5953(6) 0.2222(5) 0.2792(5) 0.0364(19) Uani 1 1 d . . . . .
H5A H 0.6688 0.1693 0.2785 0.044 Uiso 1 1 calc R . . . .
B6 B 0.4369(7) 0.1926(5) 0.2673(6) 0.048(2) Uani 1 1 d . . . . .
H6A H 0.4066 0.1199 0.2580 0.057 Uiso 1 1 calc R . . . .
B7 B 0.3602(7) 0.2853(5) 0.2104(6) 0.038(2) Uani 1 1 d . . . . .
H7A H 0.2803 0.2741 0.1656 0.046 Uiso 1 1 calc R . . . .
B8 B 0.4705(6) 0.3726(6) 0.1861(6) 0.038(2) Uani 1 1 d . . . . .
H8 H 0.4631 0.4192 0.1270 0.046 Uiso 1 1 calc R . . . .
B9 B 0.5129(7) 0.2538(6) 0.1785(7) 0.051(2) Uani 1 1 d . . . . .
H9 H 0.5330 0.2211 0.1125 0.061 Uiso 1 1 calc R . . . .
H1 H 0.554(5) 0.469(4) 0.297(4) 0.020(15) Uiso 1 1 d . . . . .


_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
Rh1 C1 2.145(6) . ?
Rh1 C2 2.126(6) . ?
Rh1 C3 2.387(6) . ?
Rh1 C14 2.236(6) . ?
Rh1 C15 2.271(6) . ?
Rh1 C18 2.183(5) . ?
Rh1 C19 2.219(6) . ?
Rh1 B1 2.289(6) . ?
Rh1 B2 2.316(7) . ?
Rh1 B3 2.195(7) . ?
C1 C2 1.728(7) . ?
C1 B1 1.717(9) . ?
C1 B4 1.683(10) . ?
C1 B8 1.716(10) . ?
C1 H1 0.96(5) . ?
C2 C3 1.419(8) . ?
C2 B3 1.777(10) . ?
C2 B7 1.672(10) . ?
C2 B8 1.719(9) . ?
C3 H3 0.9800 . ?
C3 C4 1.479(7) . ?
C4 C5 1.388(8) . ?
C4 C9 1.441(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.417(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.356(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.418(9) . ?
C8 C9 1.428(8) . ?
C8 C13 1.429(9) . ?
C9 C10 1.420(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.364(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.404(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.358(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9800 . ?
C14 C15 1.383(8) . ?
C14 C21 1.504(10) . ?
C15 H15 0.9800 . ?
C15 C16 1.504(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.527(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.503(8) . ?
C18 H18 0.9800 . ?
C18 C19 1.406(8) . ?
C19 H19 0.9800 . ?
C19 C20 1.508(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.534(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
B1 H1A 1.1000 . ?
B1 B2 1.798(9) . ?
B1 B4 1.782(11) . ?
B1 B5 1.757(10) . ?
B2 H2 1.1000 . ?
B2 B3 1.792(9) . ?
B2 B5 1.780(10) . ?
B2 B6 1.788(11) . ?
B3 H3A 1.1000 . ?
B3 B6 1.753(10) . ?
B3 B7 1.815(12) . ?
B4 H4 1.1000 . ?
B4 B5 1.756(11) . ?
B4 B8 1.785(10) . ?
B4 B9 1.744(12) . ?
B5 H5A 1.1000 . ?
B5 B6 1.776(10) . ?
B5 B9 1.789(11) . ?
B6 H6A 1.1000 . ?
B6 B7 1.777(11) . ?
B6 B9 1.777(13) . ?
B7 H7A 1.1000 . ?
B7 B8 1.766(12) . ?
B7 B9 1.777(10) . ?
B8 H8 1.1000 . ?
B8 B9 1.767(12) . ?
B9 H9 1.1000 . ?

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
C1 Rh1 C3 69.1(2) . . ?
C1 Rh1 C14 93.9(3) . . ?
C1 Rh1 C15 100.9(2) . . ?
C1 Rh1 C18 165.3(2) . . ?
C1 Rh1 C19 157.1(2) . . ?
C1 Rh1 B1 45.4(2) . . ?
C1 Rh1 B2 77.8(3) . . ?
C1 Rh1 B3 80.9(3) . . ?
C2 Rh1 C1 47.7(2) . . ?
C2 Rh1 C3 36.1(2) . . ?
C2 Rh1 C14 134.8(3) . . ?
C2 Rh1 C15 117.8(2) . . ?
C2 Rh1 C18 119.2(2) . . ?
C2 Rh1 C19 145.7(2) . . ?
C2 Rh1 B1 80.7(2) . . ?
C2 Rh1 B2 80.3(3) . . ?
C2 Rh1 B3 48.5(3) . . ?
C14 Rh1 C3 118.0(2) . . ?
C14 Rh1 C15 35.7(2) . . ?
C14 Rh1 B1 86.1(3) . . ?
C14 Rh1 B2 119.0(2) . . ?
C15 Rh1 C3 87.6(2) . . ?
C15 Rh1 B1 116.0(2) . . ?
C15 Rh1 B2 154.7(2) . . ?
C18 Rh1 C3 96.3(2) . . ?
C18 Rh1 C14 94.3(3) . . ?
C18 Rh1 C15 79.1(2) . . ?
C18 Rh1 C19 37.2(2) . . ?
C18 Rh1 B1 147.5(2) . . ?
C18 Rh1 B2 108.5(3) . . ?
C18 Rh1 B3 93.8(3) . . ?
C19 Rh1 C3 133.4(2) . . ?
C19 Rh1 C14 79.1(3) . . ?
C19 Rh1 C15 86.2(3) . . ?
C19 Rh1 B1 112.0(2) . . ?
C19 Rh1 B2 86.6(3) . . ?
B1 Rh1 C3 112.2(2) . . ?
B1 Rh1 B2 46.0(2) . . ?
B2 Rh1 C3 114.6(2) . . ?
B3 Rh1 C3 72.9(2) . . ?
B3 Rh1 C14 165.5(2) . . ?
B3 Rh1 C15 158.6(2) . . ?
B3 Rh1 C19 100.5(3) . . ?
B3 Rh1 B1 80.6(3) . . ?
B3 Rh1 B2 46.7(2) . . ?
Rh1 C1 H1 102(3) . . ?
C2 C1 Rh1 65.6(3) . . ?
C2 C1 H1 121(4) . . ?
B1 C1 Rh1 71.7(3) . . ?
B1 C1 C2 112.3(5) . . ?
B1 C1 H1 118(4) . . ?
B4 C1 Rh1 129.0(5) . . ?
B4 C1 C2 110.8(5) . . ?
B4 C1 B1 63.2(4) . . ?
B4 C1 B8 63.3(4) . . ?
B4 C1 H1 118(3) . . ?
B8 C1 Rh1 123.3(4) . . ?
B8 C1 C2 59.9(4) . . ?
B8 C1 B1 115.8(5) . . ?
B8 C1 H1 118(3) . . ?
C1 C2 Rh1 66.7(3) . . ?
C1 C2 B3 107.0(4) . . ?
C3 C2 Rh1 82.0(4) . . ?
C3 C2 C1 109.7(5) . . ?
C3 C2 B3 116.7(5) . . ?
C3 C2 B7 139.3(5) . . ?
C3 C2 B8 129.1(6) . . ?
B3 C2 Rh1 67.8(3) . . ?
B7 C2 Rh1 126.6(4) . . ?
B7 C2 C1 108.5(4) . . ?
B7 C2 B3 63.4(5) . . ?
B7 C2 B8 62.8(5) . . ?
B8 C2 Rh1 124.2(4) . . ?
B8 C2 C1 59.7(4) . . ?
B8 C2 B3 113.7(5) . . ?
Rh1 C3 H3 111.7 . . ?
C2 C3 Rh1 61.9(3) . . ?
C2 C3 H3 111.7 . . ?
C2 C3 C4 127.7(5) . . ?
C4 C3 Rh1 123.4(4) . . ?
C4 C3 H3 111.7 . . ?
C5 C4 C3 121.5(5) . . ?
C5 C4 C9 119.0(5) . . ?
C9 C4 C3 119.4(5) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.5(5) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(6) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.1(5) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 119.7(6) . . ?
C7 C8 C13 121.3(5) . . ?
C9 C8 C13 118.9(6) . . ?
C8 C9 C4 118.6(6) . . ?
C10 C9 C4 124.1(5) . . ?
C10 C9 C8 117.2(6) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.8(5) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.1(7) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.1(6) . . ?
C13 C12 H12 120.4 . . ?
C8 C13 H13 119.1 . . ?
C12 C13 C8 121.8(6) . . ?
C12 C13 H13 119.1 . . ?
Rh1 C14 H14 113.7 . . ?
C15 C14 Rh1 73.5(4) . . ?
C15 C14 H14 113.7 . . ?
C15 C14 C21 126.1(7) . . ?
C21 C14 Rh1 108.7(4) . . ?
C21 C14 H14 113.7 . . ?
Rh1 C15 H15 113.6 . . ?
C14 C15 Rh1 70.8(3) . . ?
C14 C15 H15 113.6 . . ?
C14 C15 C16 125.4(6) . . ?
C16 C15 Rh1 112.2(4) . . ?
C16 C15 H15 113.6 . . ?
C15 C16 H16A 108.8 . . ?
C15 C16 H16B 108.8 . . ?
C15 C16 C17 113.7(5) . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
C16 C17 H17A 108.6 . . ?
C16 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C18 C17 C16 114.7(5) . . ?
C18 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
Rh1 C18 H18 114.0 . . ?
C17 C18 Rh1 111.3(4) . . ?
C17 C18 H18 114.0 . . ?
C19 C18 Rh1 72.8(3) . . ?
C19 C18 C17 123.9(6) . . ?
C19 C18 H18 114.0 . . ?
Rh1 C19 H19 114.1 . . ?
C18 C19 Rh1 70.0(3) . . ?
C18 C19 H19 114.1 . . ?
C18 C19 C20 123.5(6) . . ?
C20 C19 Rh1 113.5(4) . . ?
C20 C19 H19 114.1 . . ?
C19 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C19 C20 C21 112.6(6) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C14 C21 C20 113.2(6) . . ?
C14 C21 H21A 108.9 . . ?
C14 C21 H21B 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
Rh1 B1 H1A 111.1 . . ?
C1 B1 Rh1 62.9(3) . . ?
C1 B1 H1A 126.3 . . ?
C1 B1 B2 105.9(4) . . ?
C1 B1 B4 57.5(4) . . ?
C1 B1 B5 103.8(5) . . ?
B2 B1 Rh1 67.8(3) . . ?
B2 B1 H1A 121.2 . . ?
B4 B1 Rh1 115.9(4) . . ?
B4 B1 H1A 121.4 . . ?
B4 B1 B2 107.9(5) . . ?
B5 B1 Rh1 119.6(4) . . ?
B5 B1 H1A 120.6 . . ?
B5 B1 B2 60.1(4) . . ?
B5 B1 B4 59.5(4) . . ?
Rh1 B2 H2 113.1 . . ?
B1 B2 Rh1 66.2(3) . . ?
B1 B2 H2 122.2 . . ?
B3 B2 Rh1 63.1(3) . . ?
B3 B2 B1 107.8(5) . . ?
B3 B2 H2 123.2 . . ?
B5 B2 Rh1 117.1(4) . . ?
B5 B2 B1 58.8(4) . . ?
B5 B2 H2 120.5 . . ?
B5 B2 B3 107.1(6) . . ?
B5 B2 B6 59.7(4) . . ?
B6 B2 Rh1 114.5(4) . . ?
B6 B2 B1 106.0(6) . . ?
B6 B2 H2 122.1 . . ?
B6 B2 B3 58.6(4) . . ?
Rh1 B3 H3A 109.3 . . ?
C2 B3 Rh1 63.7(3) . . ?
C2 B3 B2 107.0(5) . . ?
C2 B3 H3A 127.2 . . ?
C2 B3 B7 55.5(4) . . ?
B2 B3 Rh1 70.2(3) . . ?
B2 B3 H3A 119.7 . . ?
B2 B3 B7 108.3(5) . . ?
B6 B3 Rh1 122.2(4) . . ?
B6 B3 C2 103.0(5) . . ?
B6 B3 B2 60.6(4) . . ?
B6 B3 H3A 120.1 . . ?
B6 B3 B7 59.7(4) . . ?
B7 B3 Rh1 115.6(4) . . ?
B7 B3 H3A 122.4 . . ?
C1 B4 B1 59.3(4) . . ?
C1 B4 H4 124.3 . . ?
C1 B4 B5 105.3(5) . . ?
C1 B4 B8 59.2(4) . . ?
C1 B4 B9 105.6(5) . . ?
B1 B4 H4 121.0 . . ?
B1 B4 B8 109.2(5) . . ?
B5 B4 B1 59.5(4) . . ?
B5 B4 H4 121.8 . . ?
B5 B4 B8 109.3(6) . . ?
B8 B4 H4 120.8 . . ?
B9 B4 B1 109.2(6) . . ?
B9 B4 H4 121.5 . . ?
B9 B4 B5 61.5(5) . . ?
B9 B4 B8 60.1(5) . . ?
B1 B5 B2 61.1(4) . . ?
B1 B5 H5A 120.9 . . ?
B1 B5 B6 108.4(5) . . ?
B1 B5 B9 108.4(5) . . ?
B2 B5 H5A 120.2 . . ?
B2 B5 B9 109.2(5) . . ?
B4 B5 B1 61.0(4) . . ?
B4 B5 B2 109.9(5) . . ?
B4 B5 H5A 121.7 . . ?
B4 B5 B6 107.0(5) . . ?
B4 B5 B9 58.9(5) . . ?
B6 B5 B2 60.4(4) . . ?
B6 B5 H5A 122.3 . . ?
B6 B5 B9 59.8(5) . . ?
B9 B5 H5A 121.9 . . ?
B2 B6 H6A 120.8 . . ?
B3 B6 B2 60.8(4) . . ?
B3 B6 B5 109.0(5) . . ?
B3 B6 H6A 120.2 . . ?
B3 B6 B7 61.9(4) . . ?
B3 B6 B9 110.2(5) . . ?
B5 B6 B2 59.9(4) . . ?
B5 B6 H6A 121.8 . . ?
B5 B6 B7 108.6(6) . . ?
B5 B6 B9 60.5(5) . . ?
B7 B6 B2 110.2(5) . . ?
B7 B6 H6A 120.7 . . ?
B7 B6 B9 60.0(4) . . ?
B9 B6 B2 109.4(6) . . ?
B9 B6 H6A 120.9 . . ?
C2 B7 B3 61.1(4) . . ?
C2 B7 B6 106.5(5) . . ?
C2 B7 H7A 122.3 . . ?
C2 B7 B8 59.9(4) . . ?
C2 B7 B9 106.7(5) . . ?
B3 B7 H7A 121.2 . . ?
B6 B7 B3 58.4(4) . . ?
B6 B7 H7A 122.8 . . ?
B6 B7 B9 60.0(5) . . ?
B8 B7 B3 109.7(5) . . ?
B8 B7 B6 108.0(5) . . ?
B8 B7 H7A 120.9 . . ?
B8 B7 B9 59.8(5) . . ?
B9 B7 B3 107.4(5) . . ?
B9 B7 H7A 122.4 . . ?
C1 B8 C2 60.4(4) . . ?
C1 B8 B4 57.4(4) . . ?
C1 B8 B7 104.8(6) . . ?
C1 B8 H8 124.3 . . ?
C1 B8 B9 103.3(6) . . ?
C2 B8 B4 106.5(5) . . ?
C2 B8 B7 57.3(4) . . ?
C2 B8 H8 122.9 . . ?
C2 B8 B9 105.1(6) . . ?
B4 B8 H8 122.6 . . ?
B7 B8 B4 107.0(6) . . ?
B7 B8 H8 122.8 . . ?
B7 B8 B9 60.4(5) . . ?
B9 B8 B4 58.8(5) . . ?
B9 B8 H8 123.7 . . ?
B4 B9 B5 59.6(5) . . ?
B4 B9 B6 107.5(6) . . ?
B4 B9 B7 108.4(5) . . ?
B4 B9 B8 61.1(4) . . ?
B4 B9 H9 121.6 . . ?
B5 B9 H9 121.8 . . ?
B6 B9 B5 59.7(5) . . ?
B6 B9 B7 60.0(5) . . ?
B6 B9 H9 122.1 . . ?
B7 B9 B5 108.0(6) . . ?
B7 B9 H9 121.7 . . ?
B8 B9 B5 108.7(6) . . ?
B8 B9 B6 108.0(6) . . ?
B8 B9 B7 59.8(4) . . ?
B8 B9 H9 121.1 . . ?

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
Rh1 C1 C2 C3 71.7(4) . . . . ?
Rh1 C1 C2 B3 -55.8(4) . . . . ?
Rh1 C1 C2 B7 -122.8(5) . . . . ?
Rh1 C1 C2 B8 -163.8(5) . . . . ?
Rh1 C1 B1 B2 54.1(4) . . . . ?
Rh1 C1 B1 B4 155.5(4) . . . . ?
Rh1 C1 B1 B5 116.5(4) . . . . ?
Rh1 C1 B4 B1 -30.5(5) . . . . ?
Rh1 C1 B4 B5 8.8(8) . . . . ?
Rh1 C1 B4 B8 112.5(6) . . . . ?
Rh1 C1 B4 B9 72.9(7) . . . . ?
Rh1 C1 B8 C2 17.7(5) . . . . ?
Rh1 C1 B8 B4 -120.9(6) . . . . ?
Rh1 C1 B8 B7 -19.9(7) . . . . ?
Rh1 C1 B8 B9 -82.3(5) . . . . ?
Rh1 C2 C3 C4 -112.1(6) . . . . ?
Rh1 C2 B3 B2 -56.9(4) . . . . ?
Rh1 C2 B3 B6 -119.7(4) . . . . ?
Rh1 C2 B3 B7 -157.8(4) . . . . ?
Rh1 C2 B7 B3 25.9(5) . . . . ?
Rh1 C2 B7 B6 -12.3(7) . . . . ?
Rh1 C2 B7 B8 -113.9(5) . . . . ?
Rh1 C2 B7 B9 -75.2(7) . . . . ?
Rh1 C2 B8 C1 -18.1(5) . . . . ?
Rh1 C2 B8 B4 17.5(8) . . . . ?
Rh1 C2 B8 B7 117.5(6) . . . . ?
Rh1 C2 B8 B9 78.8(7) . . . . ?
Rh1 C3 C4 C5 -83.3(7) . . . . ?
Rh1 C3 C4 C9 101.4(6) . . . . ?
Rh1 C14 C15 C16 104.0(6) . . . . ?
Rh1 C14 C21 C20 -39.6(7) . . . . ?
Rh1 C15 C16 C17 -8.0(7) . . . . ?
Rh1 C18 C19 C20 105.5(6) . . . . ?
Rh1 C19 C20 C21 -12.8(7) . . . . ?
Rh1 B1 B2 B3 48.6(4) . . . . ?
Rh1 B1 B2 B5 148.2(4) . . . . ?
Rh1 B1 B2 B6 110.2(4) . . . . ?
Rh1 B1 B4 C1 24.3(4) . . . . ?
Rh1 B1 B4 B5 -110.5(5) . . . . ?
Rh1 B1 B4 B8 -8.9(7) . . . . ?
Rh1 B1 B4 B9 -72.9(6) . . . . ?
Rh1 B1 B5 B2 -34.1(4) . . . . ?
Rh1 B1 B5 B4 104.4(5) . . . . ?
Rh1 B1 B5 B6 4.8(7) . . . . ?
Rh1 B1 B5 B9 68.1(6) . . . . ?
Rh1 B2 B3 C2 53.0(4) . . . . ?
Rh1 B2 B3 B6 148.6(5) . . . . ?
Rh1 B2 B3 B7 111.4(5) . . . . ?
Rh1 B2 B5 B1 32.8(4) . . . . ?
Rh1 B2 B5 B4 -5.1(6) . . . . ?
Rh1 B2 B5 B6 -103.9(5) . . . . ?
Rh1 B2 B5 B9 -68.1(6) . . . . ?
Rh1 B2 B6 B3 -30.7(5) . . . . ?
Rh1 B2 B6 B5 108.3(5) . . . . ?
Rh1 B2 B6 B7 8.0(7) . . . . ?
Rh1 B2 B6 B9 72.2(6) . . . . ?
Rh1 B3 B6 B2 35.4(5) . . . . ?
Rh1 B3 B6 B5 -1.5(8) . . . . ?
Rh1 B3 B6 B7 -103.0(6) . . . . ?
Rh1 B3 B6 B9 -66.1(7) . . . . ?
Rh1 B3 B7 C2 -22.1(4) . . . . ?
Rh1 B3 B7 B6 113.9(5) . . . . ?
Rh1 B3 B7 B8 14.3(6) . . . . ?
Rh1 B3 B7 B9 77.7(6) . . . . ?
C1 C2 C3 Rh1 -61.7(4) . . . . ?
C1 C2 C3 C4 -173.8(6) . . . . ?
C1 C2 B3 Rh1 55.2(4) . . . . ?
C1 C2 B3 B2 -1.8(6) . . . . ?
C1 C2 B3 B6 -64.6(6) . . . . ?
C1 C2 B3 B7 -102.6(5) . . . . ?
C1 C2 B7 B3 100.2(5) . . . . ?
C1 C2 B7 B6 62.0(7) . . . . ?
C1 C2 B7 B8 -39.6(5) . . . . ?
C1 C2 B7 B9 -0.9(7) . . . . ?
C1 C2 B8 B4 35.5(5) . . . . ?
C1 C2 B8 B7 135.5(5) . . . . ?
C1 C2 B8 B9 96.9(6) . . . . ?
C1 B1 B2 Rh1 -51.1(4) . . . . ?
C1 B1 B2 B3 -2.5(7) . . . . ?
C1 B1 B2 B5 97.1(5) . . . . ?
C1 B1 B2 B6 59.0(6) . . . . ?
C1 B1 B4 B5 -134.8(5) . . . . ?
C1 B1 B4 B8 -33.2(5) . . . . ?
C1 B1 B4 B9 -97.2(5) . . . . ?
C1 B1 B5 B2 -100.6(5) . . . . ?
C1 B1 B5 B4 38.0(4) . . . . ?
C1 B1 B5 B6 -61.7(6) . . . . ?
C1 B1 B5 B9 1.7(6) . . . . ?
C1 B4 B5 B1 -39.2(5) . . . . ?
C1 B4 B5 B2 -1.2(7) . . . . ?
C1 B4 B5 B6 62.7(7) . . . . ?
C1 B4 B5 B9 99.8(6) . . . . ?
C1 B4 B8 C2 -36.9(5) . . . . ?
C1 B4 B8 B7 -97.0(6) . . . . ?
C1 B4 B8 B9 -134.8(7) . . . . ?
C1 B4 B9 B5 -99.2(6) . . . . ?
C1 B4 B9 B6 -62.0(6) . . . . ?
C1 B4 B9 B7 1.3(8) . . . . ?
C1 B4 B9 B8 39.3(5) . . . . ?
C1 B8 B9 B4 -37.9(5) . . . . ?
C1 B8 B9 B5 -0.7(7) . . . . ?
C1 B8 B9 B6 62.6(6) . . . . ?
C1 B8 B9 B7 99.7(5) . . . . ?
C2 C1 B1 Rh1 -52.6(4) . . . . ?
C2 C1 B1 B2 1.5(7) . . . . ?
C2 C1 B1 B4 102.8(6) . . . . ?
C2 C1 B1 B5 63.8(6) . . . . ?
C2 C1 B4 B1 -105.3(5) . . . . ?
C2 C1 B4 B5 -66.0(6) . . . . ?
C2 C1 B4 B8 37.7(5) . . . . ?
C2 C1 B4 B9 -1.9(8) . . . . ?
C2 C1 B8 B4 -138.6(6) . . . . ?
C2 C1 B8 B7 -37.6(4) . . . . ?
C2 C1 B8 B9 -100.0(6) . . . . ?
C2 C3 C4 C5 -5.1(10) . . . . ?
C2 C3 C4 C9 179.6(6) . . . . ?
C2 B3 B6 B2 102.3(5) . . . . ?
C2 B3 B6 B5 65.4(6) . . . . ?
C2 B3 B6 B7 -36.0(4) . . . . ?
C2 B3 B6 B9 0.8(7) . . . . ?
C2 B3 B7 B6 135.9(5) . . . . ?
C2 B3 B7 B8 36.4(4) . . . . ?
C2 B3 B7 B9 99.8(6) . . . . ?
C2 B7 B8 C1 39.0(4) . . . . ?
C2 B7 B8 B4 98.9(6) . . . . ?
C2 B7 B8 B9 136.1(6) . . . . ?
C2 B7 B9 B4 -0.3(8) . . . . ?
C2 B7 B9 B5 62.8(7) . . . . ?
C2 B7 B9 B6 99.7(6) . . . . ?
C2 B7 B9 B8 -38.8(6) . . . . ?
C2 B8 B9 B4 -100.4(6) . . . . ?
C2 B8 B9 B5 -63.2(6) . . . . ?
C2 B8 B9 B6 0.1(7) . . . . ?
C2 B8 B9 B7 37.2(5) . . . . ?
C3 C2 B3 Rh1 -68.0(5) . . . . ?
C3 C2 B3 B2 -124.9(6) . . . . ?
C3 C2 B3 B6 172.2(5) . . . . ?
C3 C2 B3 B7 134.2(6) . . . . ?
C3 C2 B7 B3 -100.9(8) . . . . ?
C3 C2 B7 B6 -139.1(8) . . . . ?
C3 C2 B7 B8 119.3(9) . . . . ?
C3 C2 B7 B9 158.1(8) . . . . ?
C3 C2 B8 C1 91.6(7) . . . . ?
C3 C2 B8 B4 127.1(6) . . . . ?
C3 C2 B8 B7 -132.9(7) . . . . ?
C3 C2 B8 B9 -171.5(6) . . . . ?
C3 C4 C5 C6 -176.3(5) . . . . ?
C3 C4 C9 C8 176.6(6) . . . . ?
C3 C4 C9 C10 -3.6(9) . . . . ?
C4 C5 C6 C7 0.8(9) . . . . ?
C4 C9 C10 C11 179.6(6) . . . . ?
C5 C4 C9 C8 1.2(9) . . . . ?
C5 C4 C9 C10 -179.0(6) . . . . ?
C5 C6 C7 C8 -0.9(10) . . . . ?
C6 C7 C8 C9 1.2(10) . . . . ?
C6 C7 C8 C13 178.5(6) . . . . ?
C7 C8 C9 C4 -1.4(9) . . . . ?
C7 C8 C9 C10 178.9(6) . . . . ?
C7 C8 C13 C12 -178.8(7) . . . . ?
C8 C9 C10 C11 -0.7(10) . . . . ?
C9 C4 C5 C6 -1.0(9) . . . . ?
C9 C8 C13 C12 -1.5(11) . . . . ?
C9 C10 C11 C12 -0.3(13) . . . . ?
C10 C11 C12 C13 0.4(14) . . . . ?
C11 C12 C13 C8 0.5(13) . . . . ?
C13 C8 C9 C4 -178.7(6) . . . . ?
C13 C8 C9 C10 1.5(9) . . . . ?
C14 C15 C16 C17 -89.5(7) . . . . ?
C15 C14 C21 C20 43.3(9) . . . . ?
C15 C16 C17 C18 28.0(8) . . . . ?
C16 C17 C18 Rh1 -34.4(7) . . . . ?
C16 C17 C18 C19 48.6(8) . . . . ?
C17 C18 C19 Rh1 -104.4(6) . . . . ?
C17 C18 C19 C20 1.1(9) . . . . ?
C18 C19 C20 C21 -93.7(7) . . . . ?
C19 C20 C21 C14 35.3(9) . . . . ?
C21 C14 C15 Rh1 -101.5(6) . . . . ?
C21 C14 C15 C16 2.6(10) . . . . ?
B1 C1 C2 Rh1 56.0(4) . . . . ?
B1 C1 C2 C3 127.6(5) . . . . ?
B1 C1 C2 B3 0.2(7) . . . . ?
B1 C1 C2 B7 -66.8(6) . . . . ?
B1 C1 C2 B8 -107.8(6) . . . . ?
B1 C1 B4 B5 39.3(4) . . . . ?
B1 C1 B4 B8 143.0(6) . . . . ?
B1 C1 B4 B9 103.4(6) . . . . ?
B1 C1 B8 C2 102.0(5) . . . . ?
B1 C1 B8 B4 -36.6(5) . . . . ?
B1 C1 B8 B7 64.4(6) . . . . ?
B1 C1 B8 B9 2.0(7) . . . . ?
B1 B2 B3 Rh1 -50.4(4) . . . . ?
B1 B2 B3 C2 2.6(7) . . . . ?
B1 B2 B3 B6 98.3(6) . . . . ?
B1 B2 B3 B7 61.1(6) . . . . ?
B1 B2 B5 B4 -38.0(5) . . . . ?
B1 B2 B5 B6 -136.7(5) . . . . ?
B1 B2 B5 B9 -100.9(6) . . . . ?
B1 B2 B6 B3 -101.4(5) . . . . ?
B1 B2 B6 B5 37.6(4) . . . . ?
B1 B2 B6 B7 -62.8(7) . . . . ?
B1 B2 B6 B9 1.4(6) . . . . ?
B1 B4 B5 B2 38.0(5) . . . . ?
B1 B4 B5 B6 101.9(5) . . . . ?
B1 B4 B5 B9 139.0(5) . . . . ?
B1 B4 B8 C1 33.2(5) . . . . ?
B1 B4 B8 C2 -3.7(8) . . . . ?
B1 B4 B8 B7 -63.8(7) . . . . ?
B1 B4 B8 B9 -101.6(7) . . . . ?
B1 B4 B9 B5 -36.8(5) . . . . ?
B1 B4 B9 B6 0.3(7) . . . . ?
B1 B4 B9 B7 63.7(7) . . . . ?
B1 B4 B9 B8 101.6(6) . . . . ?
B1 B5 B6 B2 -39.2(5) . . . . ?
B1 B5 B6 B3 -2.0(8) . . . . ?
B1 B5 B6 B7 63.8(7) . . . . ?
B1 B5 B6 B9 101.0(6) . . . . ?
B1 B5 B9 B4 37.2(5) . . . . ?
B1 B5 B9 B6 -101.0(5) . . . . ?
B1 B5 B9 B7 -64.0(7) . . . . ?
B1 B5 B9 B8 -0.6(7) . . . . ?
B2 B1 B4 C1 97.8(5) . . . . ?
B2 B1 B4 B5 -37.1(4) . . . . ?
B2 B1 B4 B8 64.6(7) . . . . ?
B2 B1 B4 B9 0.6(6) . . . . ?
B2 B1 B5 B4 138.6(5) . . . . ?
B2 B1 B5 B6 38.9(5) . . . . ?
B2 B1 B5 B9 102.3(5) . . . . ?
B2 B3 B6 B5 -36.9(5) . . . . ?
B2 B3 B6 B7 -138.3(5) . . . . ?
B2 B3 B6 B9 -101.5(6) . . . . ?
B2 B3 B7 C2 -98.4(5) . . . . ?
B2 B3 B7 B6 37.6(5) . . . . ?
B2 B3 B7 B8 -62.0(6) . . . . ?
B2 B3 B7 B9 1.4(7) . . . . ?
B2 B5 B6 B3 37.3(5) . . . . ?
B2 B5 B6 B7 103.1(6) . . . . ?
B2 B5 B6 B9 140.2(5) . . . . ?
B2 B5 B9 B4 102.1(6) . . . . ?
B2 B5 B9 B6 -36.1(5) . . . . ?
B2 B5 B9 B7 0.9(7) . . . . ?
B2 B5 B9 B8 64.3(7) . . . . ?
B2 B6 B7 C2 1.2(8) . . . . ?
B2 B6 B7 B3 -38.2(5) . . . . ?
B2 B6 B7 B8 64.3(7) . . . . ?
B2 B6 B7 B9 101.3(6) . . . . ?
B2 B6 B9 B4 -1.1(6) . . . . ?
B2 B6 B9 B5 35.9(5) . . . . ?
B2 B6 B9 B7 -102.7(5) . . . . ?
B2 B6 B9 B8 -65.6(6) . . . . ?
B3 C2 C3 Rh1 60.1(4) . . . . ?
B3 C2 C3 C4 -52.0(8) . . . . ?
B3 C2 B7 B6 -38.1(5) . . . . ?
B3 C2 B7 B8 -139.8(5) . . . . ?
B3 C2 B7 B9 -101.0(6) . . . . ?
B3 C2 B8 C1 -96.4(5) . . . . ?
B3 C2 B8 B4 -60.9(7) . . . . ?
B3 C2 B8 B7 39.1(5) . . . . ?
B3 C2 B8 B9 0.4(7) . . . . ?
B3 B2 B5 B1 100.8(5) . . . . ?
B3 B2 B5 B4 62.9(6) . . . . ?
B3 B2 B5 B6 -35.9(5) . . . . ?
B3 B2 B5 B9 0.0(7) . . . . ?
B3 B2 B6 B5 139.0(5) . . . . ?
B3 B2 B6 B7 38.6(5) . . . . ?
B3 B2 B6 B9 102.8(5) . . . . ?
B3 B6 B7 C2 39.4(5) . . . . ?
B3 B6 B7 B8 102.5(6) . . . . ?
B3 B6 B7 B9 139.5(6) . . . . ?
B3 B6 B9 B4 63.9(7) . . . . ?
B3 B6 B9 B5 101.0(6) . . . . ?
B3 B6 B9 B7 -37.6(5) . . . . ?
B3 B6 B9 B8 -0.6(8) . . . . ?
B3 B7 B8 C1 2.1(6) . . . . ?
B3 B7 B8 C2 -36.9(4) . . . . ?
B3 B7 B8 B4 62.0(6) . . . . ?
B3 B7 B8 B9 99.2(6) . . . . ?
B3 B7 B9 B4 -64.5(8) . . . . ?
B3 B7 B9 B5 -1.5(7) . . . . ?
B3 B7 B9 B6 35.5(5) . . . . ?
B3 B7 B9 B8 -103.1(6) . . . . ?
B4 C1 C2 Rh1 124.6(5) . . . . ?
B4 C1 C2 C3 -163.8(5) . . . . ?
B4 C1 C2 B3 68.8(6) . . . . ?
B4 C1 C2 B7 1.8(7) . . . . ?
B4 C1 C2 B8 -39.2(5) . . . . ?
B4 C1 B1 Rh1 -155.5(4) . . . . ?
B4 C1 B1 B2 -101.4(6) . . . . ?
B4 C1 B1 B5 -39.0(5) . . . . ?
B4 C1 B8 C2 138.6(6) . . . . ?
B4 C1 B8 B7 101.0(6) . . . . ?
B4 C1 B8 B9 38.6(5) . . . . ?
B4 B1 B2 Rh1 -111.4(4) . . . . ?
B4 B1 B2 B3 -62.8(6) . . . . ?
B4 B1 B2 B5 36.8(4) . . . . ?
B4 B1 B2 B6 -1.2(6) . . . . ?
B4 B1 B5 B2 -138.6(5) . . . . ?
B4 B1 B5 B6 -99.7(6) . . . . ?
B4 B1 B5 B9 -36.3(5) . . . . ?
B4 B5 B6 B2 -103.6(5) . . . . ?
B4 B5 B6 B3 -66.3(7) . . . . ?
B4 B5 B6 B7 -0.5(7) . . . . ?
B4 B5 B6 B9 36.7(5) . . . . ?
B4 B5 B9 B6 -138.2(5) . . . . ?
B4 B5 B9 B7 -101.2(6) . . . . ?
B4 B5 B9 B8 -37.8(5) . . . . ?
B4 B8 B9 B5 37.2(5) . . . . ?
B4 B8 B9 B6 100.4(6) . . . . ?
B4 B8 B9 B7 137.5(6) . . . . ?
B5 B1 B2 Rh1 -148.2(4) . . . . ?
B5 B1 B2 B3 -99.6(6) . . . . ?
B5 B1 B2 B6 -38.0(4) . . . . ?
B5 B1 B4 C1 134.8(5) . . . . ?
B5 B1 B4 B8 101.6(6) . . . . ?
B5 B1 B4 B9 37.6(5) . . . . ?
B5 B2 B3 Rh1 -112.3(5) . . . . ?
B5 B2 B3 C2 -59.3(6) . . . . ?
B5 B2 B3 B6 36.3(5) . . . . ?
B5 B2 B3 B7 -0.9(6) . . . . ?
B5 B2 B6 B3 -139.0(5) . . . . ?
B5 B2 B6 B7 -100.4(7) . . . . ?
B5 B2 B6 B9 -36.2(5) . . . . ?
B5 B4 B8 C1 96.7(6) . . . . ?
B5 B4 B8 C2 59.8(8) . . . . ?
B5 B4 B8 B7 -0.3(7) . . . . ?
B5 B4 B8 B9 -38.2(6) . . . . ?
B5 B4 B9 B6 37.1(5) . . . . ?
B5 B4 B9 B7 100.5(7) . . . . ?
B5 B4 B9 B8 138.4(6) . . . . ?
B5 B6 B7 C2 -62.7(7) . . . . ?
B5 B6 B7 B3 -102.1(6) . . . . ?
B5 B6 B7 B8 0.3(7) . . . . ?
B5 B6 B7 B9 37.4(5) . . . . ?
B5 B6 B9 B4 -37.1(5) . . . . ?
B5 B6 B9 B7 -138.6(5) . . . . ?
B5 B6 B9 B8 -101.6(6) . . . . ?
B6 B2 B3 Rh1 -148.6(5) . . . . ?
B6 B2 B3 C2 -95.6(6) . . . . ?
B6 B2 B3 B7 -37.2(5) . . . . ?
B6 B2 B5 B1 136.7(5) . . . . ?
B6 B2 B5 B4 98.8(5) . . . . ?
B6 B2 B5 B9 35.8(5) . . . . ?
B6 B3 B7 C2 -135.9(5) . . . . ?
B6 B3 B7 B8 -99.5(6) . . . . ?
B6 B3 B7 B9 -36.1(5) . . . . ?
B6 B5 B9 B4 138.2(5) . . . . ?
B6 B5 B9 B7 37.0(5) . . . . ?
B6 B5 B9 B8 100.4(6) . . . . ?
B6 B7 B8 C1 -59.9(6) . . . . ?
B6 B7 B8 C2 -99.0(6) . . . . ?
B6 B7 B8 B4 0.0(7) . . . . ?
B6 B7 B8 B9 37.1(6) . . . . ?
B6 B7 B9 B4 -100.0(7) . . . . ?
B6 B7 B9 B5 -36.9(5) . . . . ?
B6 B7 B9 B8 -138.5(6) . . . . ?
B7 C2 C3 Rh1 139.5(9) . . . . ?
B7 C2 C3 C4 27.5(12) . . . . ?
B7 C2 B3 Rh1 157.8(4) . . . . ?
B7 C2 B3 B2 100.9(6) . . . . ?
B7 C2 B3 B6 38.0(5) . . . . ?
B7 C2 B8 C1 -135.5(5) . . . . ?
B7 C2 B8 B4 -100.0(6) . . . . ?
B7 C2 B8 B9 -38.7(5) . . . . ?
B7 B3 B6 B2 138.3(5) . . . . ?
B7 B3 B6 B5 101.4(6) . . . . ?
B7 B3 B6 B9 36.8(5) . . . . ?
B7 B6 B9 B4 101.5(5) . . . . ?
B7 B6 B9 B5 138.6(5) . . . . ?
B7 B6 B9 B8 37.0(5) . . . . ?
B7 B8 B9 B4 -137.5(6) . . . . ?
B7 B8 B9 B5 -100.4(6) . . . . ?
B7 B8 B9 B6 -37.1(5) . . . . ?
B8 C1 C2 Rh1 163.8(5) . . . . ?
B8 C1 C2 C3 -124.5(6) . . . . ?
B8 C1 C2 B3 108.0(6) . . . . ?
B8 C1 C2 B7 41.0(6) . . . . ?
B8 C1 B1 Rh1 -118.8(5) . . . . ?
B8 C1 B1 B2 -64.7(6) . . . . ?
B8 C1 B1 B4 36.6(5) . . . . ?
B8 C1 B1 B5 -2.4(6) . . . . ?
B8 C1 B4 B1 -143.0(6) . . . . ?
B8 C1 B4 B5 -103.7(6) . . . . ?
B8 C1 B4 B9 -39.7(6) . . . . ?
B8 C2 C3 Rh1 -128.2(6) . . . . ?
B8 C2 C3 C4 119.8(7) . . . . ?
B8 C2 B3 Rh1 119.0(4) . . . . ?
B8 C2 B3 B2 62.0(6) . . . . ?
B8 C2 B3 B6 -0.8(6) . . . . ?
B8 C2 B3 B7 -38.8(5) . . . . ?
B8 C2 B7 B3 139.8(5) . . . . ?
B8 C2 B7 B6 101.6(6) . . . . ?
B8 C2 B7 B9 38.7(6) . . . . ?
B8 B4 B5 B1 -101.5(6) . . . . ?
B8 B4 B5 B2 -63.4(7) . . . . ?
B8 B4 B5 B6 0.5(7) . . . . ?
B8 B4 B5 B9 37.5(5) . . . . ?
B8 B4 B9 B5 -138.4(6) . . . . ?
B8 B4 B9 B6 -101.3(6) . . . . ?
B8 B4 B9 B7 -37.9(5) . . . . ?
B8 B7 B9 B4 38.5(6) . . . . ?
B8 B7 B9 B5 101.6(6) . . . . ?
B8 B7 B9 B6 138.5(6) . . . . ?
B9 B4 B5 B1 -139.0(5) . . . . ?
B9 B4 B5 B2 -101.0(6) . . . . ?
B9 B4 B5 B6 -37.1(5) . . . . ?
B9 B4 B8 C1 134.8(7) . . . . ?
B9 B4 B8 C2 98.0(7) . . . . ?
B9 B4 B8 B7 37.9(6) . . . . ?
B9 B5 B6 B2 -140.2(5) . . . . ?
B9 B5 B6 B3 -103.0(6) . . . . ?
B9 B5 B6 B7 -37.2(5) . . . . ?
B9 B6 B7 C2 -100.1(6) . . . . ?
B9 B6 B7 B3 -139.5(6) . . . . ?
B9 B6 B7 B8 -37.0(5) . . . . ?
B9 B7 B8 C1 -97.1(6) . . . . ?
B9 B7 B8 C2 -136.1(6) . . . . ?
B9 B7 B8 B4 -37.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1833991'
loop_
_audit_author_name
_audit_author_address
'Pei He'
;xi'an jiaotong  university 
China
;
_audit_update_record             
;
2018-03-31 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H29 B9 Cl3 Rh'
_chemical_formula_weight         551.96

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'
Rh Rh -1.1178 0.9187 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.6404(4)
_cell_length_b                   12.1876(4)
_cell_length_c                   17.9434(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2326.92(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9916
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      26.51

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_F_000             1112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.084
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17315
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.020
_diffrn_reflns_theta_max         26.555
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4827
_reflns_number_gt                4694
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.763
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.999

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0340P)²+0.2055P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2007 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(9)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4827
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.0189
_refine_ls_wR_factor_ref         0.0506
_refine_ls_wR_factor_gt          0.0500
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001

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
Rh1 Rh 0.14188(2) 0.41478(2) 0.08905(2) 0.01322(7) Uani 1 1 d . . . . .
B1 B 0.0164(3) 0.2758(3) 0.27882(18) 0.0186(7) Uani 1 1 d . . . . .
H1 H -0.0229 0.2374 0.3305 0.022 Uiso 1 1 calc R U . . .
B2 B 0.1154(3) 0.2016(3) 0.21689(19) 0.0185(7) Uani 1 1 d . . . . .
H2 H 0.1417 0.1142 0.2285 0.022 Uiso 1 1 calc R U . . .
B3 B 0.1790(3) 0.3106(3) 0.26943(19) 0.0184(7) Uani 1 1 d . . . . .
H3 H 0.2474 0.2954 0.3157 0.022 Uiso 1 1 calc R U . . .
B4 B 0.0652(3) 0.4157(3) 0.27626(17) 0.0174(6) Uani 1 1 d . . . . .
H4 H 0.0580 0.4702 0.3263 0.021 Uiso 1 1 calc R U . . .
B5 B -0.0721(3) 0.3733(3) 0.22643(18) 0.0179(7) Uani 1 1 d . . . . .
H5 H -0.1686 0.4019 0.2422 0.022 Uiso 1 1 calc R U . . .
B6 B -0.0414(3) 0.2389(3) 0.18889(19) 0.0180(7) Uani 1 1 d . . . . .
H6 H -0.1182 0.1773 0.1805 0.022 Uiso 1 1 calc R U . . .
B7 B 0.0882(3) 0.2479(3) 0.12528(19) 0.0168(6) Uani 1 1 d . . . . .
H7 H 0.0979 0.1894 0.0775 0.020 Uiso 1 1 calc R U . . .
B8 B 0.1936(3) 0.4291(3) 0.21105(18) 0.0171(6) Uani 1 1 d . . . . .
H8 H 0.2708 0.4903 0.2194 0.020 Uiso 1 1 calc R U . . .
B9 B 0.2252(3) 0.2937(3) 0.17413(19) 0.0171(7) Uani 1 1 d . . . . .
H9 H 0.3227 0.2668 0.1592 0.021 Uiso 1 1 calc R U . . .
Cl1 Cl 0.42393(9) 1.01196(7) 0.23792(5) 0.03352(19) Uani 1 1 d . . . . .
Cl2 Cl 0.41177(11) 0.78277(8) 0.19555(6) 0.0431(2) Uani 1 1 d . . . . .
Cl3 Cl 0.40847(9) 0.84357(8) 0.35114(5) 0.0367(2) Uani 1 1 d . . . . .
C1 C 0.0411(3) 0.4573(2) 0.18845(16) 0.0154(6) Uani 1 1 d . . . . .
C2 C -0.0274(3) 0.3511(2) 0.13659(16) 0.0153(6) Uani 1 1 d . . . . .
C3 C -0.0734(3) 0.3807(2) 0.06463(16) 0.0175(6) Uani 1 1 d . . . . .
H3A H -0.0841 0.3144 0.0324 0.021 Uiso 1 1 calc R U . . .
C4 C -0.1567(3) 0.4703(2) 0.04034(16) 0.0167(6) Uani 1 1 d . . . . .
C5 C -0.2040(3) 0.5539(2) 0.08609(19) 0.0218(6) Uani 1 1 d . . . . .
H5A H -0.1800 0.5573 0.1370 0.026 Uiso 1 1 calc R U . . .
C6 C -0.2854(3) 0.6315(3) 0.05717(19) 0.0263(7) Uani 1 1 d . . . . .
H6A H -0.3170 0.6876 0.0887 0.032 Uiso 1 1 calc R U . . .
C7 C -0.3216(3) 0.6288(3) -0.01694(19) 0.0254(7) Uani 1 1 d . . . . .
H7A H -0.3770 0.6830 -0.0362 0.030 Uiso 1 1 calc R U . . .
C8 C -0.2762(3) 0.5464(3) -0.06263(18) 0.0260(7) Uani 1 1 d . . . . .
H8A H -0.3009 0.5436 -0.1135 0.031 Uiso 1 1 calc R U . . .
C9 C -0.1950(3) 0.4680(3) -0.03453(17) 0.0216(6) Uani 1 1 d . . . . .
H9A H -0.1646 0.4117 -0.0664 0.026 Uiso 1 1 calc R U . . .
C10 C 0.1231(3) 0.5726(2) 0.02615(16) 0.0211(6) Uani 1 1 d . . . . .
H10 H 0.0466 0.6159 0.0399 0.025 Uiso 1 1 calc R U . . .
C11 C 0.2210(3) 0.5835(3) 0.07633(16) 0.0207(6) Uani 1 1 d . . . . .
H11 H 0.2011 0.6332 0.1191 0.025 Uiso 1 1 calc R U . . .
C12 C 0.3590(3) 0.5774(3) 0.05853(18) 0.0252(6) Uani 1 1 d . . . . .
H12A H 0.4069 0.5681 0.1054 0.030 Uiso 1 1 calc R U . . .
H12B H 0.3859 0.6473 0.0354 0.030 Uiso 1 1 calc R U . . .
C13 C 0.3905(3) 0.4825(3) 0.00561(19) 0.0259(7) Uani 1 1 d . . . . .
H13A H 0.3793 0.5072 -0.0465 0.031 Uiso 1 1 calc R U . . .
H13B H 0.4798 0.4617 0.0122 0.031 Uiso 1 1 calc R U . . .
C14 C 0.3081(3) 0.3827(3) 0.01947(16) 0.0206(6) Uani 1 1 d . . . . .
H14 H 0.3561 0.3157 0.0345 0.025 Uiso 1 1 calc R U . . .
C15 C 0.1994(3) 0.3598(3) -0.02155(16) 0.0214(6) Uani 1 1 d . . . . .
H15 H 0.1851 0.2799 -0.0309 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1457(3) 0.4343(3) -0.08113(16) 0.0276(7) Uani 1 1 d . . . . .
H16A H 0.0603 0.4085 -0.0942 0.033 Uiso 1 1 calc R U . . .
H16B H 0.1984 0.4286 -0.1264 0.033 Uiso 1 1 calc R U . . .
C17 C 0.1382(4) 0.5554(3) -0.05753(17) 0.0289(7) Uani 1 1 d . . . . .
H17A H 0.2156 0.5932 -0.0742 0.035 Uiso 1 1 calc R U . . .
H17B H 0.0663 0.5901 -0.0834 0.035 Uiso 1 1 calc R U . . .
C18 C 0.4669(3) 0.8765(3) 0.26169(19) 0.0265(7) Uani 1 1 d . . . . .
H18 H 0.5607 0.8720 0.2631 0.032 Uiso 1 1 calc R U . . .
H101 H 0.008(3) 0.532(3) 0.1850(17) 0.013(8) Uiso 1 1 d . . . . .


_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
Rh1 C2 2.139(3) . ?
Rh1 C1 2.145(3) . ?
Rh1 C15 2.182(3) . ?
Rh1 C14 2.200(3) . ?
Rh1 B7 2.211(3) . ?
Rh1 C11 2.234(3) . ?
Rh1 C10 2.239(3) . ?
Rh1 B8 2.264(3) . ?
Rh1 B9 2.301(3) . ?
Rh1 C3 2.369(3) . ?
B1 B5 1.784(5) . ?
B1 B2 1.779(5) . ?
B1 B6 1.784(5) . ?
B1 B4 1.782(5) . ?
B1 B3 1.790(5) . ?
B2 B7 1.762(5) . ?
B2 B3 1.765(5) . ?
B2 B9 1.793(5) . ?
B2 B6 1.801(5) . ?
B3 B4 1.767(5) . ?
B3 B9 1.791(5) . ?
B3 B8 1.790(5) . ?
B4 C1 1.675(4) . ?
B4 B5 1.789(5) . ?
B4 B8 1.807(5) . ?
B5 C2 1.703(4) . ?
B5 C1 1.722(4) . ?
B5 B6 1.801(5) . ?
B6 C2 1.665(4) . ?
B6 B7 1.793(5) . ?
B7 C2 1.770(4) . ?
B7 B9 1.791(5) . ?
B8 C1 1.708(4) . ?
B8 B9 1.809(5) . ?
Cl1 C18 1.765(3) . ?
Cl2 C18 1.749(4) . ?
Cl3 C18 1.768(3) . ?
C1 C2 1.753(4) . ?
C2 C3 1.427(4) . ?
C3 C4 1.472(4) . ?
C4 C5 1.402(4) . ?
C4 C9 1.404(4) . ?
C5 C6 1.383(4) . ?
C6 C7 1.385(5) . ?
C7 C8 1.384(5) . ?
C8 C9 1.384(5) . ?
C10 C11 1.383(4) . ?
C10 C17 1.525(4) . ?
C11 C12 1.505(4) . ?
C12 C13 1.534(4) . ?
C13 C14 1.520(5) . ?
C14 C15 1.399(4) . ?
C15 C16 1.514(4) . ?
C16 C17 1.537(5) . ?

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
C2 Rh1 C1 48.33(11) . . ?
C2 Rh1 C15 119.18(12) . . ?
C1 Rh1 C15 166.11(12) . . ?
C2 Rh1 C14 147.00(12) . . ?
C1 Rh1 C14 156.47(11) . . ?
C15 Rh1 C14 37.23(12) . . ?
C2 Rh1 B7 48.01(12) . . ?
C1 Rh1 B7 81.31(12) . . ?
C15 Rh1 B7 93.30(12) . . ?
C14 Rh1 B7 102.17(12) . . ?
C2 Rh1 C11 133.81(11) . . ?
C1 Rh1 C11 92.90(11) . . ?
C15 Rh1 C11 94.82(11) . . ?
C14 Rh1 C11 78.64(11) . . ?
B7 Rh1 C11 167.06(11) . . ?
C2 Rh1 C10 115.96(11) . . ?
C1 Rh1 C10 99.59(11) . . ?
C15 Rh1 C10 80.23(12) . . ?
C14 Rh1 C10 86.49(11) . . ?
B7 Rh1 C10 156.29(12) . . ?
C11 Rh1 C10 36.03(11) . . ?
C2 Rh1 B8 81.20(12) . . ?
C1 Rh1 B8 45.49(11) . . ?
C15 Rh1 B8 146.59(12) . . ?
C14 Rh1 B8 111.52(12) . . ?
B7 Rh1 B8 81.33(13) . . ?
C11 Rh1 B8 86.36(12) . . ?
C10 Rh1 B8 116.30(12) . . ?
C2 Rh1 B9 80.04(12) . . ?
C1 Rh1 B9 78.24(12) . . ?
C15 Rh1 B9 107.36(12) . . ?
C14 Rh1 B9 87.28(12) . . ?
B7 Rh1 B9 46.71(12) . . ?
C11 Rh1 B9 120.87(11) . . ?
C10 Rh1 B9 156.89(12) . . ?
B8 Rh1 B9 46.69(12) . . ?
C2 Rh1 C3 36.47(10) . . ?
C1 Rh1 C3 73.31(11) . . ?
C15 Rh1 C3 92.82(11) . . ?
C14 Rh1 C3 129.88(11) . . ?
B7 Rh1 C3 69.09(11) . . ?
C11 Rh1 C3 120.46(10) . . ?
C10 Rh1 C3 88.35(11) . . ?
B8 Rh1 C3 115.30(11) . . ?
B9 Rh1 C3 112.51(11) . . ?
B5 B1 B2 108.8(2) . . ?
B5 B1 B6 60.63(19) . . ?
B2 B1 B6 60.71(19) . . ?
B5 B1 B4 60.22(19) . . ?
B2 B1 B4 107.3(2) . . ?
B6 B1 B4 108.6(2) . . ?
B5 B1 B3 107.6(2) . . ?
B2 B1 B3 59.27(19) . . ?
B6 B1 B3 107.9(2) . . ?
B4 B1 B3 59.30(19) . . ?
B7 B2 B3 108.7(2) . . ?
B7 B2 B1 108.8(2) . . ?
B3 B2 B1 60.7(2) . . ?
B7 B2 B9 60.48(19) . . ?
B3 B2 B9 60.45(19) . . ?
B1 B2 B9 109.5(2) . . ?
B7 B2 B6 60.43(19) . . ?
B3 B2 B6 108.3(2) . . ?
B1 B2 B6 59.80(19) . . ?
B9 B2 B6 109.0(2) . . ?
B2 B3 B4 108.7(2) . . ?
B2 B3 B9 60.56(19) . . ?
B4 B3 B9 109.8(2) . . ?
B2 B3 B8 109.2(2) . . ?
B4 B3 B8 61.04(19) . . ?
B9 B3 B8 60.69(18) . . ?
B2 B3 B1 60.07(19) . . ?
B4 B3 B1 60.14(19) . . ?
B9 B3 B1 109.2(2) . . ?
B8 B3 B1 109.3(2) . . ?
C1 B4 B3 105.0(2) . . ?
C1 B4 B1 105.6(2) . . ?
B3 B4 B1 60.6(2) . . ?
C1 B4 B5 59.50(17) . . ?
B3 B4 B5 108.4(2) . . ?
B1 B4 B5 59.93(19) . . ?
C1 B4 B8 58.61(17) . . ?
B3 B4 B8 60.11(19) . . ?
B1 B4 B8 108.9(2) . . ?
B5 B4 B8 108.7(2) . . ?
C2 B5 C1 61.59(17) . . ?
C2 B5 B1 104.2(2) . . ?
C1 B5 B1 103.6(2) . . ?
C2 B5 B4 106.9(2) . . ?
C1 B5 B4 56.96(18) . . ?
B1 B5 B4 59.8(2) . . ?
C2 B5 B6 56.65(18) . . ?
C1 B5 B6 105.4(2) . . ?
B1 B5 B6 59.70(19) . . ?
B4 B5 B6 107.5(2) . . ?
C2 B6 B1 105.8(2) . . ?
C2 B6 B7 61.46(19) . . ?
B1 B6 B7 107.2(2) . . ?
C2 B6 B5 58.69(18) . . ?
B1 B6 B5 59.66(19) . . ?
B7 B6 B5 108.8(2) . . ?
C2 B6 B2 106.4(2) . . ?
B1 B6 B2 59.50(19) . . ?
B7 B6 B2 58.71(18) . . ?
B5 B6 B2 107.1(2) . . ?
B2 B7 C2 103.6(2) . . ?
B2 B7 B9 60.62(19) . . ?
C2 B7 B9 106.7(2) . . ?
B2 B7 B6 60.86(19) . . ?
C2 B7 B6 55.69(17) . . ?
B9 B7 B6 109.5(2) . . ?
B2 B7 Rh1 121.8(2) . . ?
C2 B7 Rh1 63.86(14) . . ?
B9 B7 Rh1 69.30(16) . . ?
B6 B7 Rh1 116.2(2) . . ?
C1 B8 B3 102.7(2) . . ?
C1 B8 B4 56.85(17) . . ?
B3 B8 B4 58.84(19) . . ?
C1 B8 B9 105.9(2) . . ?
B3 B8 B9 59.68(19) . . ?
B4 B8 B9 107.2(2) . . ?
C1 B8 Rh1 63.57(14) . . ?
B3 B8 Rh1 118.9(2) . . ?
B4 B8 Rh1 115.81(19) . . ?
B9 B8 Rh1 67.73(15) . . ?
B7 B9 B3 106.2(2) . . ?
B7 B9 B2 58.90(18) . . ?
B3 B9 B2 58.98(19) . . ?
B7 B9 B8 108.2(2) . . ?
B3 B9 B8 59.63(18) . . ?
B2 B9 B8 107.1(2) . . ?
B7 B9 Rh1 63.99(15) . . ?
B3 B9 Rh1 117.0(2) . . ?
B2 B9 Rh1 115.74(19) . . ?
B8 B9 Rh1 65.58(15) . . ?
B4 C1 B8 64.55(18) . . ?
B4 C1 B5 63.53(19) . . ?
B8 C1 B5 116.8(2) . . ?
B4 C1 C2 109.8(2) . . ?
B8 C1 C2 111.8(2) . . ?
B5 C1 C2 58.67(17) . . ?
B4 C1 Rh1 129.23(19) . . ?
B8 C1 Rh1 70.95(15) . . ?
B5 C1 Rh1 122.35(19) . . ?
C2 C1 Rh1 65.65(13) . . ?
C3 C2 B6 133.4(3) . . ?
C3 C2 B5 136.1(3) . . ?
B6 C2 B5 64.66(19) . . ?
C3 C2 C1 115.8(2) . . ?
B6 C2 C1 110.2(2) . . ?
B5 C2 C1 59.74(18) . . ?
C3 C2 B7 108.3(2) . . ?
B6 C2 B7 62.85(19) . . ?
B5 C2 B7 114.6(2) . . ?
C1 C2 B7 107.3(2) . . ?
C3 C2 Rh1 80.60(18) . . ?
B6 C2 Rh1 126.8(2) . . ?
B5 C2 Rh1 123.74(19) . . ?
C1 C2 Rh1 66.02(13) . . ?
B7 C2 Rh1 68.13(15) . . ?
C2 C3 C4 131.4(3) . . ?
C2 C3 Rh1 62.94(16) . . ?
C4 C3 Rh1 120.44(19) . . ?
C5 C4 C9 118.1(3) . . ?
C5 C4 C3 125.6(3) . . ?
C9 C4 C3 116.3(3) . . ?
C6 C5 C4 120.1(3) . . ?
C5 C6 C7 121.2(3) . . ?
C8 C7 C6 119.2(3) . . ?
C9 C8 C7 120.2(3) . . ?
C8 C9 C4 121.1(3) . . ?
C11 C10 C17 125.1(3) . . ?
C11 C10 Rh1 71.77(17) . . ?
C17 C10 Rh1 111.6(2) . . ?
C10 C11 C12 126.3(3) . . ?
C10 C11 Rh1 72.20(18) . . ?
C12 C11 Rh1 110.1(2) . . ?
C11 C12 C13 112.5(3) . . ?
C14 C13 C12 112.1(2) . . ?
C15 C14 C13 123.4(3) . . ?
C15 C14 Rh1 70.68(17) . . ?
C13 C14 Rh1 114.5(2) . . ?
C14 C15 C16 124.4(3) . . ?
C14 C15 Rh1 72.09(16) . . ?
C16 C15 Rh1 110.6(2) . . ?
C15 C16 C17 113.6(3) . . ?
C10 C17 C16 114.2(2) . . ?
Cl2 C18 Cl1 111.10(19) . . ?
Cl2 C18 Cl3 110.48(19) . . ?
Cl1 C18 Cl3 109.91(19) . . ?

_refine_diff_density_max         0.385
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.059

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5-Ir-Naph_2
_database_code_depnum_ccdc_archive 'CCDC 2019611'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_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         'C21 H30 B9 Ir'
_chemical_formula_sum            'C21 H30 B9 Ir'
_chemical_formula_weight         571.94
_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
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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   12.802(8)
_cell_length_b                   13.158(8)
_cell_length_c                   13.586(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2289(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9809
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.439
_cell_measurement_theta_min      2.679
_shelx_estimated_absorpt_T_max   0.475
_shelx_estimated_absorpt_T_min   0.388
_exptl_absorpt_coefficient_mu    5.841
_exptl_absorpt_correction_T_max  0.416
_exptl_absorpt_correction_T_min  0.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light orange'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22536
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.465
_diffrn_reflns_theta_min         2.155
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.766
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                4536
_reflns_number_total             4680
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    ?
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 
;
 Flack x determined using 1956 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.003(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4680
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0191
_refine_ls_R_factor_gt           0.0177
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0167P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0395
_refine_ls_wR_factor_ref         0.0399
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H2(0.03) H3(0.032) H5(0.036) H6(0.045) H7(0.042) H10(0.039)
 H11(0.05) H12(0.046) H13(0.043) H14(0.038) H15(0.038) H16A(0.044) H16B(0.044)
 H17A(0.04) H17B(0.04) H18(0.033) H19(0.037) H20A(0.047) H20B(0.047)
 H21A(0.049) H21B(0.049) H1(0.035) H2A(0.036) H3A(0.032) H4(0.04) H5A(0.045)
 H6A(0.038) H7A(0.034) H8(0.037) H9(0.043)
 Fixed X: H2(0.2682) H3(0.356) H5(0.4066) H6(0.5718) H7(0.7184) H10(0.4786)
 H11(0.6286) H12(0.7915) H13(0.8028) H14(0.1416) H15(0.2998) H16A(0.4466)
 H16B(0.3797) H17A(0.4756) H17B(0.497) H18(0.3942) H19(0.2464) H20A(0.2005)
 H20B(0.3011) H21A(0.1796) H21B(0.0971) H1(0.1582) H2A(0.0133) H3A(0.0883)
 H4(0.1673) H5A(-0.0292) H6A(-0.0741) H7A(0.092) H8(0.2544) H9(0.0221)
 Fixed Y: H2(0.4695) H3(0.5156) H5(0.3806) H6(0.3394) H7(0.4004) H10(0.5977)
 H11(0.6526) H12(0.6095) H13(0.5043) H14(0.7577) H15(0.7152) H16A(0.7838)
 H16B(0.8504) H17A(0.7743) H17B(0.6795) H18(0.613) H19(0.6763) H20A(0.8384)
 H20B(0.8571) H21A(0.9006) H21B(0.824) H1(0.5681) H2A(0.6459) H3A(0.5877)
 H4(0.3412) H5A(0.4562) H6A(0.4678) H7A(0.3581) H8(0.2961) H9(0.2832)
 Fixed Z: H2(-0.0288) H3(0.267) H5(0.0456) H6(-0.015) H7(0.0577) H10(0.3096)
 H11(0.3824) H12(0.3193) H13(0.1868) H14(0.2291) H15(0.2795) H16A(0.223)
 H16B(0.1511) H17A(0.0391) H17B(0.1059) H18(-0.0197) H19(-0.0724) H20A(-0.0541)
 H20B(0.0092) H21A(0.1198) H21B(0.0778) H1(0.3077) H2A(0.1535) H3A(-0.0425)
 H4(0.2919) H5A(0.2656) H6A(0.056) H7A(-0.0485) H8(0.0908) H9(0.1389)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.23544(2) 0.60693(2) 0.11791(2) 0.02136(6) Uani 1 1 d . . . . .
C1 C 0.2480(4) 0.4589(4) 0.1768(3) 0.0280(11) Uani 1 1 d . . . . .
C2 C 0.2153(4) 0.4687(4) 0.0350(3) 0.0249(11) Uani 1 1 d . . . . .
H2 H 0.2682 0.4695 -0.0288 0.030 Uiso 1 1 calc R . . . .
C3 C 0.3496(4) 0.4976(4) 0.1973(4) 0.0269(11) Uani 1 1 d . . . . .
H3 H 0.3560 0.5156 0.2670 0.032 Uiso 1 1 calc R . . . .
C4 C 0.4529(4) 0.4703(4) 0.1559(4) 0.0232(10) Uani 1 1 d . . . . .
C5 C 0.4655(4) 0.4073(4) 0.0763(4) 0.0304(11) Uani 1 1 d . . . . .
H5 H 0.4066 0.3806 0.0456 0.036 Uiso 1 1 calc R . . . .
C6 C 0.5661(4) 0.3818(5) 0.0395(4) 0.0375(13) Uani 1 1 d . . . . .
H6 H 0.5718 0.3394 -0.0150 0.045 Uiso 1 1 calc R . . . .
C7 C 0.6532(4) 0.4182(4) 0.0826(4) 0.0352(13) Uani 1 1 d . . . . .
H7 H 0.7184 0.4004 0.0577 0.042 Uiso 1 1 calc R . . . .
C8 C 0.6465(4) 0.4829(4) 0.1651(4) 0.0279(11) Uani 1 1 d . . . . .
C9 C 0.5457(4) 0.5106(4) 0.2027(3) 0.0244(10) Uani 1 1 d . . . . .
C10 C 0.5428(4) 0.5769(4) 0.2845(4) 0.0329(13) Uani 1 1 d . . . . .
H10 H 0.4786 0.5977 0.3096 0.039 Uiso 1 1 calc R . . . .
C11 C 0.6327(4) 0.6109(5) 0.3273(4) 0.0414(13) Uani 1 1 d . . . . .
H11 H 0.6286 0.6526 0.3824 0.050 Uiso 1 1 calc R . . . .
C12 C 0.7311(4) 0.5844(4) 0.2900(4) 0.0387(13) Uani 1 1 d . . . . .
H12 H 0.7915 0.6095 0.3193 0.046 Uiso 1 1 calc R . . . .
C13 C 0.7375(4) 0.5220(4) 0.2113(4) 0.0355(11) Uani 1 1 d . . . . .
H13 H 0.8028 0.5043 0.1868 0.043 Uiso 1 1 calc R . . . .
C14 C 0.1945(4) 0.7594(4) 0.1769(4) 0.0316(12) Uani 1 1 d . . . . .
H14 H 0.1416 0.7577 0.2291 0.038 Uiso 1 1 calc R . . . .
C15 C 0.2964(4) 0.7318(4) 0.2093(4) 0.0316(13) Uani 1 1 d . . . . .
H15 H 0.2998 0.7152 0.2795 0.038 Uiso 1 1 calc R . . . .
C16 C 0.3953(4) 0.7811(4) 0.1704(4) 0.0363(13) Uani 1 1 d . . . . .
H16A H 0.4466 0.7838 0.2230 0.044 Uiso 1 1 calc R . . . .
H16B H 0.3797 0.8504 0.1511 0.044 Uiso 1 1 calc R . . . .
C17 C 0.4429(4) 0.7251(4) 0.0824(4) 0.0335(12) Uani 1 1 d . . . . .
H17A H 0.4756 0.7743 0.0391 0.040 Uiso 1 1 calc R . . . .
H17B H 0.4970 0.6795 0.1059 0.040 Uiso 1 1 calc R . . . .
C18 C 0.3636(4) 0.6642(4) 0.0240(4) 0.0279(11) Uani 1 1 d . . . . .
H18 H 0.3942 0.6130 -0.0197 0.033 Uiso 1 1 calc R . . . .
C19 C 0.2696(4) 0.7052(4) -0.0096(3) 0.0305(11) Uani 1 1 d . . . . .
H19 H 0.2464 0.6763 -0.0724 0.037 Uiso 1 1 calc R . . . .
C20 C 0.2386(5) 0.8158(4) 0.0036(4) 0.0395(12) Uani 1 1 d . . . . .
H20A H 0.2005 0.8384 -0.0541 0.047 Uiso 1 1 calc R . . . .
H20B H 0.3011 0.8571 0.0092 0.047 Uiso 1 1 calc R . . . .
C21 C 0.1700(4) 0.8317(4) 0.0960(4) 0.0408(14) Uani 1 1 d . . . . .
H21A H 0.1796 0.9006 0.1198 0.049 Uiso 1 1 calc R . . . .
H21B H 0.0971 0.8240 0.0778 0.049 Uiso 1 1 calc R . . . .
B1 B 0.1501(4) 0.5278(5) 0.2372(4) 0.0293(13) Uani 1 1 d . . . . .
H1 H 0.1582 0.5681 0.3077 0.035 Uiso 1 1 calc R . . . .
B2 B 0.0600(4) 0.5765(5) 0.1433(4) 0.0296(14) Uani 1 1 d . . . . .
H2A H 0.0133 0.6459 0.1535 0.036 Uiso 1 1 calc R . . . .
B3 B 0.1062(4) 0.5402(5) 0.0220(4) 0.0268(13) Uani 1 1 d . . . . .
H3A H 0.0883 0.5877 -0.0425 0.032 Uiso 1 1 calc R . . . .
B4 B 0.1532(4) 0.3905(6) 0.2279(4) 0.0336(13) Uani 1 1 d . . . . .
H4 H 0.1673 0.3412 0.2919 0.040 Uiso 1 1 calc R . . . .
B5 B 0.0340(5) 0.4600(6) 0.2109(5) 0.0376(16) Uani 1 1 d . . . . .
H5A H -0.0292 0.4562 0.2656 0.045 Uiso 1 1 calc R . . . .
B6 B 0.0068(5) 0.4671(5) 0.0832(4) 0.0319(14) Uani 1 1 d . . . . .
H6A H -0.0741 0.4678 0.0560 0.038 Uiso 1 1 calc R . . . .
B7 B 0.1076(4) 0.4017(5) 0.0190(4) 0.0280(12) Uani 1 1 d . . . . .
H7A H 0.0920 0.3581 -0.0485 0.034 Uiso 1 1 calc R . . . .
B8 B 0.2028(4) 0.3612(4) 0.1054(4) 0.0311(13) Uani 1 1 d . . . . .
H8 H 0.2544 0.2961 0.0908 0.037 Uiso 1 1 calc R . . . .
B9 B 0.0648(5) 0.3555(5) 0.1337(5) 0.0358(15) Uani 1 1 d . . . . .
H9 H 0.0221 0.2832 0.1389 0.043 Uiso 1 1 calc R . . . .


_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 C1 2.112(5) . ?
Ir1 C2 2.156(5) . ?
Ir1 C3 2.318(5) . ?
Ir1 C14 2.223(5) . ?
Ir1 C15 2.202(5) . ?
Ir1 C18 2.211(5) . ?
Ir1 C19 2.206(5) . ?
Ir1 B1 2.215(6) . ?
Ir1 B2 2.307(6) . ?
Ir1 B3 2.282(6) . ?
C1 C2 1.976(6) . ?
C1 C3 1.424(7) . ?
C1 B1 1.750(8) . ?
C1 B4 1.662(7) . ?
C1 B8 1.713(8) . ?
C2 H2 1.1000 . ?
C2 B3 1.694(8) . ?
C2 B7 1.650(7) . ?
C2 B8 1.715(7) . ?
C3 H3 0.9800 . ?
C3 C4 1.481(7) . ?
C4 C5 1.372(7) . ?
C4 C9 1.448(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.422(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.348(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.411(7) . ?
C8 C9 1.436(7) . ?
C8 C13 1.419(7) . ?
C9 C10 1.414(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.365(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.402(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.351(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9800 . ?
C14 C15 1.424(7) . ?
C14 C21 1.487(8) . ?
C15 H15 0.9800 . ?
C15 C16 1.518(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.531(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.517(7) . ?
C18 H18 0.9800 . ?
C18 C19 1.395(7) . ?
C19 H19 0.9800 . ?
C19 C20 1.520(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.547(8) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
B1 H1 1.1000 . ?
B1 B2 1.835(8) . ?
B1 B4 1.811(10) . ?
B1 B5 1.769(9) . ?
B2 H2A 1.1000 . ?
B2 B3 1.815(8) . ?
B2 B5 1.817(9) . ?
B2 B6 1.789(9) . ?
B3 H3A 1.1000 . ?
B3 B6 1.799(9) . ?
B3 B7 1.823(9) . ?
B4 H4 1.1000 . ?
B4 B5 1.794(9) . ?
B4 B8 1.823(8) . ?
B4 B9 1.770(8) . ?
B5 H5A 1.1000 . ?
B5 B6 1.771(9) . ?
B5 B9 1.773(10) . ?
B6 H6A 1.1000 . ?
B6 B7 1.779(8) . ?
B6 B9 1.782(9) . ?
B7 H7A 1.1000 . ?
B7 B8 1.774(8) . ?
B7 B9 1.760(8) . ?
B8 H8 1.1000 . ?
B8 B9 1.810(8) . ?
B9 H9 1.1000 . ?

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
C1 Ir1 C2 55.17(18) . . ?
C1 Ir1 C3 37.15(18) . . ?
C1 Ir1 C14 135.5(2) . . ?
C1 Ir1 C15 116.6(2) . . ?
C1 Ir1 C18 118.47(19) . . ?
C1 Ir1 C19 145.42(19) . . ?
C1 Ir1 B1 47.7(2) . . ?
C1 Ir1 B2 81.8(2) . . ?
C1 Ir1 B3 85.2(2) . . ?
C2 Ir1 C3 78.16(18) . . ?
C2 Ir1 C14 157.20(19) . . ?
C2 Ir1 C15 165.20(17) . . ?
C2 Ir1 C18 94.29(18) . . ?
C2 Ir1 C19 96.20(18) . . ?
C2 Ir1 B1 85.8(2) . . ?
C2 Ir1 B2 79.3(2) . . ?
C2 Ir1 B3 44.77(19) . . ?
C14 Ir1 C3 122.77(19) . . ?
C14 Ir1 B2 82.7(2) . . ?
C14 Ir1 B3 112.4(2) . . ?
C15 Ir1 C3 88.7(2) . . ?
C15 Ir1 C14 37.55(19) . . ?
C15 Ir1 C18 78.93(19) . . ?
C15 Ir1 C19 86.3(2) . . ?
C15 Ir1 B1 96.5(2) . . ?
C15 Ir1 B2 113.0(2) . . ?
C15 Ir1 B3 150.0(2) . . ?
C18 Ir1 C3 90.70(19) . . ?
C18 Ir1 C14 94.35(19) . . ?
C18 Ir1 B1 161.58(19) . . ?
C18 Ir1 B2 150.2(2) . . ?
C18 Ir1 B3 109.8(2) . . ?
C19 Ir1 C3 127.19(19) . . ?
C19 Ir1 C14 78.53(19) . . ?
C19 Ir1 C18 36.83(19) . . ?
C19 Ir1 B1 161.5(2) . . ?
C19 Ir1 B2 114.4(2) . . ?
C19 Ir1 B3 85.5(2) . . ?
B1 Ir1 C3 71.3(2) . . ?
B1 Ir1 C14 92.5(2) . . ?
B1 Ir1 B2 47.8(2) . . ?
B1 Ir1 B3 83.1(2) . . ?
B2 Ir1 C3 115.87(19) . . ?
B3 Ir1 C3 119.0(2) . . ?
B3 Ir1 B2 46.6(2) . . ?
C2 C1 Ir1 63.5(2) . . ?
C3 C1 Ir1 79.3(3) . . ?
C3 C1 C2 111.2(4) . . ?
C3 C1 B1 112.2(4) . . ?
C3 C1 B4 141.1(4) . . ?
C3 C1 B8 133.4(4) . . ?
B1 C1 Ir1 69.3(3) . . ?
B1 C1 C2 105.7(3) . . ?
B4 C1 Ir1 127.0(4) . . ?
B4 C1 C2 106.7(4) . . ?
B4 C1 B1 64.0(4) . . ?
B4 C1 B8 65.4(4) . . ?
B8 C1 Ir1 116.9(3) . . ?
B8 C1 C2 54.8(3) . . ?
B8 C1 B1 114.4(4) . . ?
Ir1 C2 H2 109.2 . . ?
C1 C2 Ir1 61.29(19) . . ?
C1 C2 H2 129.7 . . ?
B3 C2 Ir1 71.6(3) . . ?
B3 C2 C1 108.2(3) . . ?
B3 C2 H2 114.8 . . ?
B3 C2 B8 116.1(4) . . ?
B7 C2 Ir1 128.3(3) . . ?
B7 C2 C1 105.7(4) . . ?
B7 C2 H2 114.6 . . ?
B7 C2 B3 66.0(3) . . ?
B7 C2 B8 63.6(3) . . ?
B8 C2 Ir1 114.6(3) . . ?
B8 C2 C1 54.7(3) . . ?
B8 C2 H2 120.3 . . ?
Ir1 C3 H3 110.6 . . ?
C1 C3 Ir1 63.5(3) . . ?
C1 C3 H3 110.6 . . ?
C1 C3 C4 130.9(5) . . ?
C4 C3 Ir1 122.4(3) . . ?
C4 C3 H3 110.6 . . ?
C5 C4 C3 123.4(5) . . ?
C5 C4 C9 118.1(4) . . ?
C9 C4 C3 118.5(4) . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(5) . . ?
C6 C5 H5 119.1 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.9(5) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.6(5) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 C9 119.4(5) . . ?
C7 C8 C13 121.4(5) . . ?
C13 C8 C9 119.3(5) . . ?
C8 C9 C4 119.3(4) . . ?
C10 C9 C4 123.3(4) . . ?
C10 C9 C8 117.4(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.6(5) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(5) . . ?
C13 C12 H12 120.3 . . ?
C8 C13 H13 119.3 . . ?
C12 C13 C8 121.4(5) . . ?
C12 C13 H13 119.3 . . ?
Ir1 C14 H14 113.8 . . ?
C15 C14 Ir1 70.4(3) . . ?
C15 C14 H14 113.8 . . ?
C15 C14 C21 125.8(5) . . ?
C21 C14 Ir1 111.2(3) . . ?
C21 C14 H14 113.8 . . ?
Ir1 C15 H15 113.4 . . ?
C14 C15 Ir1 72.0(3) . . ?
C14 C15 H15 113.4 . . ?
C14 C15 C16 123.3(5) . . ?
C16 C15 Ir1 114.8(3) . . ?
C16 C15 H15 113.4 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
C15 C16 C17 113.4(4) . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 C16 113.4(4) . . ?
C18 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
Ir1 C18 H18 114.3 . . ?
C17 C18 Ir1 112.0(3) . . ?
C17 C18 H18 114.3 . . ?
C19 C18 Ir1 71.4(3) . . ?
C19 C18 C17 122.9(5) . . ?
C19 C18 H18 114.3 . . ?
Ir1 C19 H19 113.3 . . ?
C18 C19 Ir1 71.8(3) . . ?
C18 C19 H19 113.3 . . ?
C18 C19 C20 123.9(5) . . ?
C20 C19 Ir1 114.7(3) . . ?
C20 C19 H19 113.3 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C19 C20 C21 111.9(4) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C14 C21 C20 113.2(4) . . ?
C14 C21 H21A 108.9 . . ?
C14 C21 H21B 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.8 . . ?
Ir1 B1 H1 111.3 . . ?
C1 B1 Ir1 63.1(2) . . ?
C1 B1 H1 126.1 . . ?
C1 B1 B2 107.8(4) . . ?
C1 B1 B4 55.6(3) . . ?
C1 B1 B5 104.2(5) . . ?
B2 B1 Ir1 68.7(3) . . ?
B2 B1 H1 119.8 . . ?
B4 B1 Ir1 114.0(3) . . ?
B4 B1 H1 122.6 . . ?
B4 B1 B2 108.3(4) . . ?
B5 B1 Ir1 120.2(4) . . ?
B5 B1 H1 119.9 . . ?
B5 B1 B2 60.5(4) . . ?
B5 B1 B4 60.1(4) . . ?
Ir1 B2 H2A 113.8 . . ?
B1 B2 Ir1 63.4(2) . . ?
B1 B2 H2A 123.0 . . ?
B3 B2 Ir1 66.0(3) . . ?
B3 B2 B1 109.6(4) . . ?
B3 B2 H2A 120.6 . . ?
B3 B2 B5 107.2(4) . . ?
B5 B2 Ir1 113.6(3) . . ?
B5 B2 B1 58.0(3) . . ?
B5 B2 H2A 122.5 . . ?
B6 B2 Ir1 116.2(3) . . ?
B6 B2 B1 106.0(4) . . ?
B6 B2 H2A 121.2 . . ?
B6 B2 B3 59.9(3) . . ?
B6 B2 B5 58.8(3) . . ?
Ir1 B3 H3A 112.8 . . ?
C2 B3 Ir1 63.6(2) . . ?
C2 B3 B2 108.6(4) . . ?
C2 B3 H3A 124.7 . . ?
C2 B3 B6 103.7(4) . . ?
C2 B3 B7 55.8(3) . . ?
B2 B3 Ir1 67.4(3) . . ?
B2 B3 H3A 120.5 . . ?
B2 B3 B7 106.6(4) . . ?
B6 B3 Ir1 117.0(3) . . ?
B6 B3 B2 59.3(3) . . ?
B6 B3 H3A 121.7 . . ?
B6 B3 B7 58.8(3) . . ?
B7 B3 Ir1 112.9(3) . . ?
B7 B3 H3A 123.5 . . ?
C1 B4 B1 60.3(3) . . ?
C1 B4 H4 122.0 . . ?
C1 B4 B5 106.9(5) . . ?
C1 B4 B8 58.7(3) . . ?
C1 B4 B9 107.8(4) . . ?
B1 B4 H4 122.5 . . ?
B1 B4 B8 106.4(4) . . ?
B5 B4 B1 58.8(4) . . ?
B5 B4 H4 122.8 . . ?
B5 B4 B8 106.6(4) . . ?
B8 B4 H4 122.7 . . ?
B9 B4 B1 107.2(4) . . ?
B9 B4 H4 121.5 . . ?
B9 B4 B5 59.7(3) . . ?
B9 B4 B8 60.5(3) . . ?
B1 B5 B2 61.5(3) . . ?
B1 B5 B4 61.1(4) . . ?
B1 B5 H5A 120.2 . . ?
B1 B5 B6 109.6(4) . . ?
B1 B5 B9 108.9(4) . . ?
B2 B5 H5A 120.9 . . ?
B4 B5 B2 109.8(4) . . ?
B4 B5 H5A 121.1 . . ?
B6 B5 B2 59.8(3) . . ?
B6 B5 B4 108.7(4) . . ?
B6 B5 H5A 121.3 . . ?
B6 B5 B9 60.4(4) . . ?
B9 B5 B2 108.4(4) . . ?
B9 B5 B4 59.5(4) . . ?
B9 B5 H5A 121.9 . . ?
B2 B6 B3 60.8(3) . . ?
B2 B6 H6A 120.3 . . ?
B3 B6 H6A 120.4 . . ?
B5 B6 B2 61.4(4) . . ?
B5 B6 B3 110.0(4) . . ?
B5 B6 H6A 121.0 . . ?
B5 B6 B7 108.2(4) . . ?
B5 B6 B9 59.9(4) . . ?
B7 B6 B2 109.7(4) . . ?
B7 B6 B3 61.3(3) . . ?
B7 B6 H6A 121.4 . . ?
B7 B6 B9 59.2(4) . . ?
B9 B6 B2 109.2(4) . . ?
B9 B6 B3 108.9(4) . . ?
B9 B6 H6A 121.9 . . ?
C2 B7 B3 58.1(3) . . ?
C2 B7 B6 106.4(4) . . ?
C2 B7 H7A 122.6 . . ?
C2 B7 B8 60.0(3) . . ?
C2 B7 B9 109.2(4) . . ?
B3 B7 H7A 122.5 . . ?
B6 B7 B3 59.9(3) . . ?
B6 B7 H7A 122.0 . . ?
B8 B7 B3 107.1(4) . . ?
B8 B7 B6 108.6(4) . . ?
B8 B7 H7A 121.3 . . ?
B9 B7 B3 108.8(4) . . ?
B9 B7 B6 60.5(3) . . ?
B9 B7 H7A 120.1 . . ?
B9 B7 B8 61.6(3) . . ?
C1 B8 C2 70.4(3) . . ?
C1 B8 B4 56.0(3) . . ?
C1 B8 B7 112.4(4) . . ?
C1 B8 H8 119.0 . . ?
C1 B8 B9 103.9(4) . . ?
C2 B8 B4 111.5(4) . . ?
C2 B8 B7 56.4(3) . . ?
C2 B8 H8 119.1 . . ?
C2 B8 B9 104.1(4) . . ?
B4 B8 H8 122.6 . . ?
B7 B8 B4 107.5(4) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B9 58.8(3) . . ?
B9 B8 B4 58.3(3) . . ?
B9 B8 H8 126.4 . . ?
B4 B9 B5 60.8(4) . . ?
B4 B9 B6 109.3(5) . . ?
B4 B9 B8 61.2(3) . . ?
B4 B9 H9 119.8 . . ?
B5 B9 B6 59.8(4) . . ?
B5 B9 B8 108.1(4) . . ?
B5 B9 H9 121.5 . . ?
B6 B9 B8 106.9(4) . . ?
B6 B9 H9 122.1 . . ?
B7 B9 B4 110.5(4) . . ?
B7 B9 B5 108.9(4) . . ?
B7 B9 B6 60.3(3) . . ?
B7 B9 B8 59.6(3) . . ?
B7 B9 H9 120.7 . . ?
B8 B9 H9 122.3 . . ?

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
Ir1 C1 C3 C4 -111.2(5) . . . . ?
Ir1 C1 B1 B2 53.9(3) . . . . ?
Ir1 C1 B1 B4 154.2(3) . . . . ?
Ir1 C1 B1 B5 117.0(4) . . . . ?
Ir1 C1 B4 B1 -30.6(4) . . . . ?
Ir1 C1 B4 B5 6.6(6) . . . . ?
Ir1 C1 B4 B8 106.1(4) . . . . ?
Ir1 C1 B4 B9 69.4(6) . . . . ?
Ir1 C1 B8 C2 14.5(3) . . . . ?
Ir1 C1 B8 B4 -120.7(4) . . . . ?
Ir1 C1 B8 B7 -24.1(5) . . . . ?
Ir1 C1 B8 B9 -85.7(4) . . . . ?
Ir1 C2 B3 B2 -51.7(3) . . . . ?
Ir1 C2 B3 B6 -113.6(3) . . . . ?
Ir1 C2 B3 B7 -149.5(3) . . . . ?
Ir1 C2 B7 B3 37.8(4) . . . . ?
Ir1 C2 B7 B6 0.8(6) . . . . ?
Ir1 C2 B7 B8 -101.5(4) . . . . ?
Ir1 C2 B7 B9 -63.0(6) . . . . ?
Ir1 C2 B8 C1 -14.0(3) . . . . ?
Ir1 C2 B8 B4 24.9(5) . . . . ?
Ir1 C2 B8 B7 122.2(4) . . . . ?
Ir1 C2 B8 B9 86.0(4) . . . . ?
Ir1 C3 C4 C5 -72.4(6) . . . . ?
Ir1 C3 C4 C9 108.8(5) . . . . ?
Ir1 C14 C15 C16 108.3(5) . . . . ?
Ir1 C14 C21 C20 -36.3(6) . . . . ?
Ir1 C15 C16 C17 -8.1(6) . . . . ?
Ir1 C18 C19 C20 107.9(5) . . . . ?
Ir1 C19 C20 C21 -11.2(6) . . . . ?
Ir1 B1 B2 B3 48.6(4) . . . . ?
Ir1 B1 B2 B5 147.2(4) . . . . ?
Ir1 B1 B2 B6 111.7(4) . . . . ?
Ir1 B1 B4 C1 25.1(3) . . . . ?
Ir1 B1 B4 B5 -112.3(4) . . . . ?
Ir1 B1 B4 B8 -12.5(5) . . . . ?
Ir1 B1 B4 B9 -76.0(4) . . . . ?
Ir1 B1 B5 B2 -35.8(4) . . . . ?
Ir1 B1 B5 B4 102.0(4) . . . . ?
Ir1 B1 B5 B6 1.0(7) . . . . ?
Ir1 B1 B5 B9 65.4(6) . . . . ?
Ir1 B2 B3 C2 49.6(3) . . . . ?
Ir1 B2 B3 B6 144.9(3) . . . . ?
Ir1 B2 B3 B7 108.4(3) . . . . ?
Ir1 B2 B5 B1 31.9(4) . . . . ?
Ir1 B2 B5 B4 -6.8(5) . . . . ?
Ir1 B2 B5 B6 -107.4(4) . . . . ?
Ir1 B2 B5 B9 -70.1(4) . . . . ?
Ir1 B2 B6 B3 -35.9(3) . . . . ?
Ir1 B2 B6 B5 102.9(4) . . . . ?
Ir1 B2 B6 B7 2.4(5) . . . . ?
Ir1 B2 B6 B9 65.6(5) . . . . ?
Ir1 B3 B6 B2 36.6(4) . . . . ?
Ir1 B3 B6 B5 -1.4(6) . . . . ?
Ir1 B3 B6 B7 -101.7(4) . . . . ?
Ir1 B3 B6 B9 -65.3(5) . . . . ?
Ir1 B3 B7 C2 -29.5(3) . . . . ?
Ir1 B3 B7 B6 108.7(4) . . . . ?
Ir1 B3 B7 B8 6.6(5) . . . . ?
Ir1 B3 B7 B9 71.8(4) . . . . ?
C1 C2 B3 Ir1 50.0(3) . . . . ?
C1 C2 B3 B2 -1.7(5) . . . . ?
C1 C2 B3 B6 -63.6(4) . . . . ?
C1 C2 B3 B7 -99.5(4) . . . . ?
C1 C2 B7 B3 103.3(4) . . . . ?
C1 C2 B7 B6 66.4(4) . . . . ?
C1 C2 B7 B8 -36.0(3) . . . . ?
C1 C2 B7 B9 2.6(5) . . . . ?
C1 C2 B8 B4 38.9(3) . . . . ?
C1 C2 B8 B7 136.2(4) . . . . ?
C1 C2 B8 B9 100.0(4) . . . . ?
C1 C3 C4 C5 9.0(8) . . . . ?
C1 C3 C4 C9 -169.7(5) . . . . ?
C1 B1 B2 Ir1 -50.6(3) . . . . ?
C1 B1 B2 B3 -2.0(6) . . . . ?
C1 B1 B2 B5 96.6(5) . . . . ?
C1 B1 B2 B6 61.1(5) . . . . ?
C1 B1 B4 B5 -137.4(4) . . . . ?
C1 B1 B4 B8 -37.6(3) . . . . ?
C1 B1 B4 B9 -101.1(4) . . . . ?
C1 B1 B5 B2 -102.6(4) . . . . ?
C1 B1 B5 B4 35.2(4) . . . . ?
C1 B1 B5 B6 -65.9(6) . . . . ?
C1 B1 B5 B9 -1.5(6) . . . . ?
C1 B4 B5 B1 -37.9(4) . . . . ?
C1 B4 B5 B2 1.0(6) . . . . ?
C1 B4 B5 B6 64.7(6) . . . . ?
C1 B4 B5 B9 101.1(4) . . . . ?
C1 B4 B8 C2 -45.5(4) . . . . ?
C1 B4 B8 B7 -105.6(4) . . . . ?
C1 B4 B8 B9 -139.2(5) . . . . ?
C1 B4 B9 B5 -99.6(5) . . . . ?
C1 B4 B9 B6 -63.3(6) . . . . ?
C1 B4 B9 B7 1.3(6) . . . . ?
C1 B4 B9 B8 35.9(4) . . . . ?
C1 B8 B9 B4 -33.9(4) . . . . ?
C1 B8 B9 B5 6.2(5) . . . . ?
C1 B8 B9 B6 69.2(5) . . . . ?
C1 B8 B9 B7 108.0(4) . . . . ?
C2 C1 C3 Ir1 56.0(3) . . . . ?
C2 C1 C3 C4 -55.2(6) . . . . ?
C2 C1 B1 Ir1 -53.0(2) . . . . ?
C2 C1 B1 B2 0.9(5) . . . . ?
C2 C1 B1 B4 101.2(4) . . . . ?
C2 C1 B1 B5 64.0(5) . . . . ?
C2 C1 B4 B1 -99.7(4) . . . . ?
C2 C1 B4 B5 -62.5(5) . . . . ?
C2 C1 B4 B8 37.0(3) . . . . ?
C2 C1 B4 B9 0.3(5) . . . . ?
C2 C1 B8 B4 -135.2(4) . . . . ?
C2 C1 B8 B7 -38.6(3) . . . . ?
C2 C1 B8 B9 -100.3(4) . . . . ?
C2 B3 B6 B2 103.7(4) . . . . ?
C2 B3 B6 B5 65.7(5) . . . . ?
C2 B3 B6 B7 -34.6(3) . . . . ?
C2 B3 B6 B9 1.8(5) . . . . ?
C2 B3 B7 B6 138.2(4) . . . . ?
C2 B3 B7 B8 36.2(4) . . . . ?
C2 B3 B7 B9 101.3(4) . . . . ?
C2 B7 B8 C1 44.9(4) . . . . ?
C2 B7 B8 B4 104.6(4) . . . . ?
C2 B7 B8 B9 138.0(4) . . . . ?
C2 B7 B9 B4 -2.6(6) . . . . ?
C2 B7 B9 B5 62.5(5) . . . . ?
C2 B7 B9 B6 98.5(5) . . . . ?
C2 B7 B9 B8 -37.8(4) . . . . ?
C2 B8 B9 B4 -106.8(5) . . . . ?
C2 B8 B9 B5 -66.7(5) . . . . ?
C2 B8 B9 B6 -3.7(5) . . . . ?
C2 B8 B9 B7 35.1(4) . . . . ?
C3 C1 B1 Ir1 68.4(4) . . . . ?
C3 C1 B1 B2 122.2(5) . . . . ?
C3 C1 B1 B4 -137.4(5) . . . . ?
C3 C1 B1 B5 -174.6(4) . . . . ?
C3 C1 B4 B1 93.8(8) . . . . ?
C3 C1 B4 B5 131.0(7) . . . . ?
C3 C1 B4 B8 -129.5(8) . . . . ?
C3 C1 B4 B9 -166.2(6) . . . . ?
C3 C1 B8 C2 -86.6(6) . . . . ?
C3 C1 B8 B4 138.2(6) . . . . ?
C3 C1 B8 B7 -125.3(6) . . . . ?
C3 C1 B8 B9 173.1(5) . . . . ?
C3 C4 C5 C6 -179.1(5) . . . . ?
C3 C4 C9 C8 178.4(4) . . . . ?
C3 C4 C9 C10 -1.8(7) . . . . ?
C4 C5 C6 C7 0.7(9) . . . . ?
C4 C9 C10 C11 178.5(5) . . . . ?
C5 C4 C9 C8 -0.4(7) . . . . ?
C5 C4 C9 C10 179.4(5) . . . . ?
C5 C6 C7 C8 -0.3(9) . . . . ?
C6 C7 C8 C9 -0.4(8) . . . . ?
C6 C7 C8 C13 -179.9(5) . . . . ?
C7 C8 C9 C4 0.8(7) . . . . ?
C7 C8 C9 C10 -179.0(5) . . . . ?
C7 C8 C13 C12 179.7(5) . . . . ?
C8 C9 C10 C11 -1.7(8) . . . . ?
C9 C4 C5 C6 -0.3(8) . . . . ?
C9 C8 C13 C12 0.2(8) . . . . ?
C9 C10 C11 C12 2.2(9) . . . . ?
C10 C11 C12 C13 -1.4(9) . . . . ?
C11 C12 C13 C8 0.2(8) . . . . ?
C13 C8 C9 C4 -179.7(5) . . . . ?
C13 C8 C9 C10 0.5(7) . . . . ?
C14 C15 C16 C17 -92.1(6) . . . . ?
C15 C14 C21 C20 44.3(7) . . . . ?
C15 C16 C17 C18 25.6(7) . . . . ?
C16 C17 C18 Ir1 -30.9(6) . . . . ?
C16 C17 C18 C19 50.6(7) . . . . ?
C17 C18 C19 Ir1 -104.7(4) . . . . ?
C17 C18 C19 C20 3.3(7) . . . . ?
C18 C19 C20 C21 -95.1(6) . . . . ?
C19 C20 C21 C14 31.4(7) . . . . ?
C21 C14 C15 Ir1 -102.5(5) . . . . ?
C21 C14 C15 C16 5.8(8) . . . . ?
B1 C1 C3 Ir1 -62.2(3) . . . . ?
B1 C1 C3 C4 -173.4(5) . . . . ?
B1 C1 B4 B5 37.2(4) . . . . ?
B1 C1 B4 B8 136.7(4) . . . . ?
B1 C1 B4 B9 100.0(5) . . . . ?
B1 C1 B8 C2 92.6(4) . . . . ?
B1 C1 B8 B4 -42.6(4) . . . . ?
B1 C1 B8 B7 54.0(5) . . . . ?
B1 C1 B8 B9 -7.7(5) . . . . ?
B1 B2 B3 Ir1 -47.3(3) . . . . ?
B1 B2 B3 C2 2.3(6) . . . . ?
B1 B2 B3 B6 97.6(5) . . . . ?
B1 B2 B3 B7 61.1(5) . . . . ?
B1 B2 B5 B4 -38.7(4) . . . . ?
B1 B2 B5 B6 -139.3(5) . . . . ?
B1 B2 B5 B9 -102.0(5) . . . . ?
B1 B2 B6 B3 -103.7(4) . . . . ?
B1 B2 B6 B5 35.1(4) . . . . ?
B1 B2 B6 B7 -65.4(5) . . . . ?
B1 B2 B6 B9 -2.2(5) . . . . ?
B1 B4 B5 B2 38.9(4) . . . . ?
B1 B4 B5 B6 102.6(5) . . . . ?
B1 B4 B5 B9 139.0(4) . . . . ?
B1 B4 B8 C1 38.4(4) . . . . ?
B1 B4 B8 C2 -7.1(5) . . . . ?
B1 B4 B8 B7 -67.2(5) . . . . ?
B1 B4 B8 B9 -100.8(4) . . . . ?
B1 B4 B9 B5 -35.9(4) . . . . ?
B1 B4 B9 B6 0.3(5) . . . . ?
B1 B4 B9 B7 64.9(5) . . . . ?
B1 B4 B9 B8 99.5(4) . . . . ?
B1 B5 B6 B2 -37.5(4) . . . . ?
B1 B5 B6 B3 0.3(7) . . . . ?
B1 B5 B6 B7 65.5(6) . . . . ?
B1 B5 B6 B9 101.1(5) . . . . ?
B1 B5 B9 B4 37.4(4) . . . . ?
B1 B5 B9 B6 -102.4(5) . . . . ?
B1 B5 B9 B7 -66.1(5) . . . . ?
B1 B5 B9 B8 -2.9(6) . . . . ?
B2 B1 B4 C1 99.4(4) . . . . ?
B2 B1 B4 B5 -38.0(4) . . . . ?
B2 B1 B4 B8 61.8(5) . . . . ?
B2 B1 B4 B9 -1.7(5) . . . . ?
B2 B1 B5 B4 137.8(4) . . . . ?
B2 B1 B5 B6 36.7(4) . . . . ?
B2 B1 B5 B9 101.1(4) . . . . ?
B2 B3 B6 B5 -38.0(4) . . . . ?
B2 B3 B6 B7 -138.3(4) . . . . ?
B2 B3 B6 B9 -101.9(5) . . . . ?
B2 B3 B7 C2 -101.6(4) . . . . ?
B2 B3 B7 B6 36.7(4) . . . . ?
B2 B3 B7 B8 -65.4(5) . . . . ?
B2 B3 B7 B9 -0.2(5) . . . . ?
B2 B5 B6 B3 37.8(4) . . . . ?
B2 B5 B6 B7 103.0(5) . . . . ?
B2 B5 B6 B9 138.6(4) . . . . ?
B2 B5 B9 B4 102.7(4) . . . . ?
B2 B5 B9 B6 -37.0(4) . . . . ?
B2 B5 B9 B7 -0.8(5) . . . . ?
B2 B5 B9 B8 62.4(5) . . . . ?
B2 B6 B7 C2 -1.9(5) . . . . ?
B2 B6 B7 B3 -38.1(4) . . . . ?
B2 B6 B7 B8 61.3(5) . . . . ?
B2 B6 B7 B9 101.2(4) . . . . ?
B2 B6 B9 B4 1.2(6) . . . . ?
B2 B6 B9 B5 37.9(4) . . . . ?
B2 B6 B9 B7 -102.0(4) . . . . ?
B2 B6 B9 B8 -63.5(5) . . . . ?
B3 C2 B7 B6 -36.9(4) . . . . ?
B3 C2 B7 B8 -139.3(4) . . . . ?
B3 C2 B7 B9 -100.8(5) . . . . ?
B3 C2 B8 C1 -94.6(4) . . . . ?
B3 C2 B8 B4 -55.7(5) . . . . ?
B3 C2 B8 B7 41.6(4) . . . . ?
B3 C2 B8 B9 5.4(5) . . . . ?
B3 B2 B5 B1 102.7(4) . . . . ?
B3 B2 B5 B4 64.0(5) . . . . ?
B3 B2 B5 B6 -36.6(4) . . . . ?
B3 B2 B5 B9 0.6(5) . . . . ?
B3 B2 B6 B5 138.8(4) . . . . ?
B3 B2 B6 B7 38.3(4) . . . . ?
B3 B2 B6 B9 101.5(5) . . . . ?
B3 B6 B7 C2 36.2(4) . . . . ?
B3 B6 B7 B8 99.3(4) . . . . ?
B3 B6 B7 B9 139.2(4) . . . . ?
B3 B6 B9 B4 65.9(5) . . . . ?
B3 B6 B9 B5 102.7(5) . . . . ?
B3 B6 B9 B7 -37.3(4) . . . . ?
B3 B6 B9 B8 1.2(6) . . . . ?
B3 B7 B8 C1 9.5(5) . . . . ?
B3 B7 B8 C2 -35.4(4) . . . . ?
B3 B7 B8 B4 69.2(5) . . . . ?
B3 B7 B8 B9 102.6(4) . . . . ?
B3 B7 B9 B4 -64.4(5) . . . . ?
B3 B7 B9 B5 0.7(5) . . . . ?
B3 B7 B9 B6 36.7(4) . . . . ?
B3 B7 B9 B8 -99.7(4) . . . . ?
B4 C1 C3 Ir1 -137.9(8) . . . . ?
B4 C1 C3 C4 110.9(8) . . . . ?
B4 C1 B1 Ir1 -154.2(3) . . . . ?
B4 C1 B1 B2 -100.4(4) . . . . ?
B4 C1 B1 B5 -37.2(4) . . . . ?
B4 C1 B8 C2 135.2(4) . . . . ?
B4 C1 B8 B7 96.6(5) . . . . ?
B4 C1 B8 B9 34.9(4) . . . . ?
B4 B1 B2 Ir1 -109.3(4) . . . . ?
B4 B1 B2 B3 -60.7(5) . . . . ?
B4 B1 B2 B5 37.9(4) . . . . ?
B4 B1 B2 B6 2.4(5) . . . . ?
B4 B1 B5 B2 -137.8(4) . . . . ?
B4 B1 B5 B6 -101.0(5) . . . . ?
B4 B1 B5 B9 -36.7(4) . . . . ?
B4 B5 B6 B2 -102.6(5) . . . . ?
B4 B5 B6 B3 -64.8(6) . . . . ?
B4 B5 B6 B7 0.4(6) . . . . ?
B4 B5 B6 B9 36.0(4) . . . . ?
B4 B5 B9 B6 -139.7(5) . . . . ?
B4 B5 B9 B7 -103.5(4) . . . . ?
B4 B5 B9 B8 -40.3(4) . . . . ?
B4 B8 B9 B5 40.1(4) . . . . ?
B4 B8 B9 B6 103.1(5) . . . . ?
B4 B8 B9 B7 141.9(5) . . . . ?
B5 B1 B2 Ir1 -147.2(4) . . . . ?
B5 B1 B2 B3 -98.6(5) . . . . ?
B5 B1 B2 B6 -35.5(4) . . . . ?
B5 B1 B4 C1 137.4(4) . . . . ?
B5 B1 B4 B8 99.8(4) . . . . ?
B5 B1 B4 B9 36.3(4) . . . . ?
B5 B2 B3 Ir1 -108.7(4) . . . . ?
B5 B2 B3 C2 -59.0(5) . . . . ?
B5 B2 B3 B6 36.2(4) . . . . ?
B5 B2 B3 B7 -0.2(5) . . . . ?
B5 B2 B6 B3 -138.8(4) . . . . ?
B5 B2 B6 B7 -100.5(5) . . . . ?
B5 B2 B6 B9 -37.3(4) . . . . ?
B5 B4 B8 C1 100.0(5) . . . . ?
B5 B4 B8 C2 54.5(6) . . . . ?
B5 B4 B8 B7 -5.6(6) . . . . ?
B5 B4 B8 B9 -39.2(4) . . . . ?
B5 B4 B9 B6 36.3(4) . . . . ?
B5 B4 B9 B7 100.8(5) . . . . ?
B5 B4 B9 B8 135.4(4) . . . . ?
B5 B6 B7 C2 -67.2(5) . . . . ?
B5 B6 B7 B3 -103.4(5) . . . . ?
B5 B6 B7 B8 -4.0(6) . . . . ?
B5 B6 B7 B9 35.9(4) . . . . ?
B5 B6 B9 B4 -36.7(4) . . . . ?
B5 B6 B9 B7 -139.9(4) . . . . ?
B5 B6 B9 B8 -101.4(5) . . . . ?
B6 B2 B3 Ir1 -144.9(3) . . . . ?
B6 B2 B3 C2 -95.2(5) . . . . ?
B6 B2 B3 B7 -36.4(4) . . . . ?
B6 B2 B5 B1 139.3(5) . . . . ?
B6 B2 B5 B4 100.6(5) . . . . ?
B6 B2 B5 B9 37.3(4) . . . . ?
B6 B3 B7 C2 -138.2(4) . . . . ?
B6 B3 B7 B8 -102.0(4) . . . . ?
B6 B3 B7 B9 -36.9(4) . . . . ?
B6 B5 B9 B4 139.7(5) . . . . ?
B6 B5 B9 B7 36.2(4) . . . . ?
B6 B5 B9 B8 99.4(5) . . . . ?
B6 B7 B8 C1 -53.7(6) . . . . ?
B6 B7 B8 C2 -98.6(5) . . . . ?
B6 B7 B8 B4 6.0(6) . . . . ?
B6 B7 B8 B9 39.4(4) . . . . ?
B6 B7 B9 B4 -101.1(5) . . . . ?
B6 B7 B9 B5 -36.0(4) . . . . ?
B6 B7 B9 B8 -136.3(4) . . . . ?
B7 C2 B3 Ir1 149.5(3) . . . . ?
B7 C2 B3 B2 97.8(4) . . . . ?
B7 C2 B3 B6 35.9(4) . . . . ?
B7 C2 B8 C1 -136.2(4) . . . . ?
B7 C2 B8 B4 -97.3(4) . . . . ?
B7 C2 B8 B9 -36.2(4) . . . . ?
B7 B3 B6 B2 138.3(4) . . . . ?
B7 B3 B6 B5 100.3(5) . . . . ?
B7 B3 B6 B9 36.4(4) . . . . ?
B7 B6 B9 B4 103.2(4) . . . . ?
B7 B6 B9 B5 139.9(4) . . . . ?
B7 B6 B9 B8 38.5(4) . . . . ?
B7 B8 B9 B4 -141.9(5) . . . . ?
B7 B8 B9 B5 -101.8(5) . . . . ?
B7 B8 B9 B6 -38.8(4) . . . . ?
B8 C1 C3 Ir1 117.1(5) . . . . ?
B8 C1 C3 C4 5.9(9) . . . . ?
B8 C1 B1 Ir1 -111.0(4) . . . . ?
B8 C1 B1 B2 -57.2(5) . . . . ?
B8 C1 B1 B4 43.2(4) . . . . ?
B8 C1 B1 B5 5.9(5) . . . . ?
B8 C1 B4 B1 -136.7(4) . . . . ?
B8 C1 B4 B5 -99.5(4) . . . . ?
B8 C1 B4 B9 -36.7(4) . . . . ?
B8 C2 B3 Ir1 109.0(4) . . . . ?
B8 C2 B3 B2 57.2(5) . . . . ?
B8 C2 B3 B6 -4.6(5) . . . . ?
B8 C2 B3 B7 -40.6(4) . . . . ?
B8 C2 B7 B3 139.3(4) . . . . ?
B8 C2 B7 B6 102.4(4) . . . . ?
B8 C2 B7 B9 38.5(4) . . . . ?
B8 B4 B5 B1 -99.5(5) . . . . ?
B8 B4 B5 B2 -60.6(6) . . . . ?
B8 B4 B5 B6 3.2(6) . . . . ?
B8 B4 B5 B9 39.6(4) . . . . ?
B8 B4 B9 B5 -135.4(4) . . . . ?
B8 B4 B9 B6 -99.2(5) . . . . ?
B8 B4 B9 B7 -34.6(4) . . . . ?
B8 B7 B9 B4 35.3(5) . . . . ?
B8 B7 B9 B5 100.3(4) . . . . ?
B8 B7 B9 B6 136.3(4) . . . . ?
B9 B4 B5 B1 -139.0(4) . . . . ?
B9 B4 B5 B2 -100.1(5) . . . . ?
B9 B4 B5 B6 -36.4(4) . . . . ?
B9 B4 B8 C1 139.2(5) . . . . ?
B9 B4 B8 C2 93.7(5) . . . . ?
B9 B4 B8 B7 33.6(4) . . . . ?
B9 B5 B6 B2 -138.6(4) . . . . ?
B9 B5 B6 B3 -100.8(5) . . . . ?
B9 B5 B6 B7 -35.6(4) . . . . ?
B9 B6 B7 C2 -103.1(4) . . . . ?
B9 B6 B7 B3 -139.2(4) . . . . ?
B9 B6 B7 B8 -39.9(4) . . . . ?
B9 B7 B8 C1 -93.1(5) . . . . ?
B9 B7 B8 C2 -138.0(4) . . . . ?
B9 B7 B8 B4 -33.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5-Ir-Naph_1
_database_code_depnum_ccdc_archive 'CCDC 2019610'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_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         'C21 H30 B9 Ir'
_chemical_formula_sum            'C21 H30 B9 Ir'
_chemical_formula_weight         571.94
_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
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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   11.003(9)
_cell_length_b                   14.656(12)
_cell_length_c                   14.853(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2395(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9079
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.066
_cell_measurement_theta_min      2.304
_shelx_estimated_absorpt_T_max   0.488
_shelx_estimated_absorpt_T_min   0.387
_exptl_absorpt_coefficient_mu    5.581
_exptl_absorpt_correction_T_max  0.433
_exptl_absorpt_correction_T_min  0.333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light orange'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23413
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.145
_diffrn_reflns_theta_min         1.952
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.768
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                4571
_reflns_number_total             4691
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    ?
_refine_diff_density_max         0.871
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Flack x determined using 1951 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.000(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4691
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0177
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0234P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0432
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3), C14(H14), C15(H15), C18(H18), C19(H19)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16a,H16b), C17(H17a,H17b), C20(H20a,H20b), C21(H21a,H21b)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13)
2.d Boron cage BH refined with riding coordinates:
 C1(H1), B1(H1a), B2(H2), B3(H3a), B4(H4), B5(H5a), B6(H6a), B7(H7a), B8(H8),
 B9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.42886(2) 0.61940(2) 0.08863(2) 0.02013(6) Uani 1 1 d . . . . .
C1 C 0.5317(5) 0.5927(4) 0.2113(4) 0.0267(12) Uani 1 1 d . . . . .
H1 H 0.5691 0.5234 0.2050 0.032 Uiso 1 1 calc R . . . .
C2 C 0.3689(4) 0.6231(4) 0.2273(3) 0.0234(10) Uani 1 1 d . . . . .
C3 C 0.2985(5) 0.5465(3) 0.1924(3) 0.0234(11) Uani 1 1 d . . . . .
H3 H 0.3316 0.4878 0.2125 0.028 Uiso 1 1 calc R . . . .
C4 C 0.1625(5) 0.5433(4) 0.1831(3) 0.0247(11) Uani 1 1 d . . . . .
C5 C 0.0881(4) 0.6154(4) 0.2106(3) 0.0314(11) Uani 1 1 d . . . . .
H5 H 0.1238 0.6684 0.2325 0.038 Uiso 1 1 calc R . . . .
C6 C -0.0420(4) 0.6098(4) 0.2058(4) 0.0417(14) Uani 1 1 d . . . . .
H6 H -0.0893 0.6594 0.2232 0.050 Uiso 1 1 calc R . . . .
C7 C -0.0967(5) 0.5314(4) 0.1757(4) 0.0441(16) Uani 1 1 d . . . . .
H7 H -0.1811 0.5281 0.1737 0.053 Uiso 1 1 calc R . . . .
C8 C -0.0252(5) 0.4538(4) 0.1469(4) 0.0347(14) Uani 1 1 d . . . . .
C9 C 0.1061(4) 0.4595(4) 0.1502(3) 0.0260(12) Uani 1 1 d . . . . .
C10 C 0.1729(5) 0.3804(4) 0.1222(3) 0.0302(12) Uani 1 1 d . . . . .
H10 H 0.2574 0.3820 0.1231 0.036 Uiso 1 1 calc R . . . .
C11 C 0.1141(5) 0.3007(4) 0.0936(5) 0.0395(14) Uani 1 1 d . . . . .
H11 H 0.1598 0.2503 0.0764 0.047 Uiso 1 1 calc R . . . .
C12 C -0.0152(6) 0.2963(4) 0.0906(5) 0.0476(16) Uani 1 1 d . . . . .
H12 H -0.0538 0.2436 0.0705 0.057 Uiso 1 1 calc R . . . .
C13 C -0.0829(5) 0.3709(5) 0.1177(4) 0.0463(16) Uani 1 1 d . . . . .
H13 H -0.1673 0.3674 0.1171 0.056 Uiso 1 1 calc R . . . .
C14 C 0.5541(6) 0.5354(4) 0.0042(4) 0.0347(13) Uani 1 1 d . . . . .
H14 H 0.6253 0.5133 0.0373 0.042 Uiso 1 1 calc R . . . .
C15 C 0.4488(5) 0.4824(4) 0.0193(3) 0.0326(13) Uani 1 1 d . . . . .
H15 H 0.4615 0.4314 0.0610 0.039 Uiso 1 1 calc R . . . .
C16 C 0.3509(6) 0.4638(4) -0.0525(4) 0.0445(16) Uani 1 1 d . . . . .
H16A H 0.3150 0.4044 -0.0413 0.053 Uiso 1 1 calc R . . . .
H16B H 0.3893 0.4618 -0.1113 0.053 Uiso 1 1 calc R . . . .
C17 C 0.2482(6) 0.5369(4) -0.0539(4) 0.0410(16) Uani 1 1 d . . . . .
H17A H 0.2201 0.5444 -0.1153 0.049 Uiso 1 1 calc R . . . .
H17B H 0.1803 0.5148 -0.0184 0.049 Uiso 1 1 calc R . . . .
C18 C 0.2880(5) 0.6300(4) -0.0172(3) 0.0351(12) Uani 1 1 d . . . . .
H18 H 0.2204 0.6707 -0.0019 0.042 Uiso 1 1 calc R . . . .
C19 C 0.3958(5) 0.6766(4) -0.0480(4) 0.0356(14) Uani 1 1 d . . . . .
H19 H 0.3879 0.7432 -0.0490 0.043 Uiso 1 1 calc R . . . .
C20 C 0.4783(6) 0.6384(5) -0.1226(4) 0.0507(19) Uani 1 1 d . . . . .
H20A H 0.5085 0.6884 -0.1590 0.061 Uiso 1 1 calc R . . . .
H20B H 0.4309 0.5986 -0.1612 0.061 Uiso 1 1 calc R . . . .
C21 C 0.5870(7) 0.5845(4) -0.0843(4) 0.0498(16) Uani 1 1 d . . . . .
H21A H 0.6541 0.6260 -0.0735 0.060 Uiso 1 1 calc R . . . .
H21B H 0.6134 0.5398 -0.1284 0.060 Uiso 1 1 calc R . . . .
B1 B 0.6061(5) 0.6776(4) 0.1492(4) 0.0276(13) Uani 1 1 d . . . . .
H1A H 0.6843 0.6674 0.1042 0.033 Uiso 1 1 calc R . . . .
B2 B 0.4933(6) 0.7670(4) 0.1259(4) 0.0287(13) Uani 1 1 d . . . . .
H2 H 0.5019 0.8123 0.0672 0.034 Uiso 1 1 calc R . . . .
B3 B 0.3458(6) 0.7327(4) 0.1714(4) 0.0268(13) Uani 1 1 d . . . . .
H3A H 0.2620 0.7585 0.1400 0.032 Uiso 1 1 calc R . . . .
B4 B 0.6174(6) 0.6665(5) 0.2721(5) 0.0347(15) Uani 1 1 d . . . . .
H4 H 0.7034 0.6475 0.3049 0.042 Uiso 1 1 calc R . . . .
B5 B 0.5963(6) 0.7762(4) 0.2214(4) 0.0346(15) Uani 1 1 d . . . . .
H5A H 0.6690 0.8277 0.2214 0.041 Uiso 1 1 calc R . . . .
B6 B 0.4395(6) 0.8072(4) 0.2356(4) 0.0365(14) Uani 1 1 d . . . . .
H6A H 0.4122 0.8787 0.2453 0.044 Uiso 1 1 calc R . . . .
B7 B 0.3620(6) 0.7155(4) 0.2943(4) 0.0316(15) Uani 1 1 d . . . . .
H7A H 0.2852 0.7271 0.3403 0.038 Uiso 1 1 calc R . . . .
B8 B 0.4735(5) 0.6257(5) 0.3156(4) 0.0323(14) Uani 1 1 d . . . . .
H8 H 0.4674 0.5783 0.3728 0.039 Uiso 1 1 calc R . . . .
B9 B 0.5153(6) 0.7448(5) 0.3236(5) 0.0393(16) Uani 1 1 d . . . . .
H9 H 0.5360 0.7761 0.3891 0.047 Uiso 1 1 calc R . . . .


_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 C1 2.180(5) . ?
Ir1 C2 2.164(5) . ?
Ir1 C3 2.361(5) . ?
Ir1 C14 2.233(5) . ?
Ir1 C15 2.267(5) . ?
Ir1 C18 2.214(5) . ?
Ir1 C19 2.226(5) . ?
Ir1 B1 2.311(6) . ?
Ir1 B2 2.343(6) . ?
Ir1 B3 2.259(6) . ?
C1 H1 1.1000 . ?
C1 C2 1.861(7) . ?
C1 B1 1.752(8) . ?
C1 B4 1.695(9) . ?
C1 B8 1.745(8) . ?
C2 C3 1.459(7) . ?
C2 B3 1.827(8) . ?
C2 B7 1.682(8) . ?
C2 B8 1.744(7) . ?
C3 H3 0.9800 . ?
C3 C4 1.504(7) . ?
C4 C5 1.398(7) . ?
C4 C9 1.460(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.435(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.372(9) . ?
C7 H7 0.9300 . ?
C7 C8 1.448(9) . ?
C8 C9 1.448(8) . ?
C8 C13 1.438(8) . ?
C9 C10 1.433(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.402(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.425(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(10) . ?
C13 H13 0.9300 . ?
C14 H14 0.9800 . ?
C14 C15 1.413(8) . ?
C14 C21 1.542(8) . ?
C15 H15 0.9800 . ?
C15 C16 1.540(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.557(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.534(8) . ?
C18 H18 0.9800 . ?
C18 C19 1.443(8) . ?
C19 H19 0.9800 . ?
C19 C20 1.538(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.541(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
B1 H1A 1.1000 . ?
B1 B2 1.837(9) . ?
B1 B4 1.837(9) . ?
B1 B5 1.802(9) . ?
B2 H2 1.1000 . ?
B2 B3 1.828(9) . ?
B2 B5 1.820(9) . ?
B2 B6 1.831(9) . ?
B3 H3A 1.1000 . ?
B3 B6 1.779(9) . ?
B3 B7 1.852(9) . ?
B4 H4 1.1000 . ?
B4 B5 1.792(10) . ?
B4 B8 1.812(8) . ?
B4 B9 1.778(11) . ?
B5 H5A 1.1000 . ?
B5 B6 1.796(9) . ?
B5 B9 1.820(9) . ?
B6 H6A 1.1000 . ?
B6 B7 1.816(9) . ?
B6 B9 1.801(10) . ?
B7 H7A 1.1000 . ?
B7 B8 1.827(10) . ?
B7 B9 1.795(9) . ?
B8 H8 1.1000 . ?
B8 B9 1.809(10) . ?
B9 H9 1.1000 . ?

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
C1 Ir1 C3 71.84(19) . . ?
C1 Ir1 C14 92.9(2) . . ?
C1 Ir1 C15 99.8(2) . . ?
C1 Ir1 C18 165.9(2) . . ?
C1 Ir1 C19 156.11(19) . . ?
C1 Ir1 B1 45.8(2) . . ?
C1 Ir1 B2 79.1(2) . . ?
C1 Ir1 B3 83.5(2) . . ?
C2 Ir1 C1 50.73(19) . . ?
C2 Ir1 C3 37.30(18) . . ?
C2 Ir1 C14 137.4(2) . . ?
C2 Ir1 C15 118.9(2) . . ?
C2 Ir1 C18 117.5(2) . . ?
C2 Ir1 C19 144.0(2) . . ?
C2 Ir1 B1 82.9(2) . . ?
C2 Ir1 B2 81.0(2) . . ?
C2 Ir1 B3 48.7(2) . . ?
C14 Ir1 C3 119.5(2) . . ?
C14 Ir1 C15 36.6(2) . . ?
C14 Ir1 B1 84.3(2) . . ?
C14 Ir1 B2 117.1(2) . . ?
C14 Ir1 B3 163.8(2) . . ?
C15 Ir1 C3 87.38(19) . . ?
C15 Ir1 B1 115.0(2) . . ?
C15 Ir1 B2 153.6(2) . . ?
C18 Ir1 C3 94.0(2) . . ?
C18 Ir1 C14 94.1(2) . . ?
C18 Ir1 C15 78.9(2) . . ?
C18 Ir1 C19 37.9(2) . . ?
C18 Ir1 B1 147.3(2) . . ?
C18 Ir1 B2 108.4(2) . . ?
C18 Ir1 B3 93.0(2) . . ?
C19 Ir1 C3 131.81(19) . . ?
C19 Ir1 C14 78.3(2) . . ?
C19 Ir1 C15 86.3(2) . . ?
C19 Ir1 B1 110.7(2) . . ?
C19 Ir1 B2 85.2(2) . . ?
C19 Ir1 B3 98.8(2) . . ?
B1 Ir1 C3 115.17(19) . . ?
B1 Ir1 B2 46.5(2) . . ?
B2 Ir1 C3 116.6(2) . . ?
B3 Ir1 C3 74.5(2) . . ?
B3 Ir1 C15 159.6(2) . . ?
B3 Ir1 B1 81.8(2) . . ?
B3 Ir1 B2 46.8(2) . . ?
Ir1 C1 H1 106.8 . . ?
C2 C1 Ir1 64.2(2) . . ?
C2 C1 H1 126.2 . . ?
B1 C1 Ir1 71.0(3) . . ?
B1 C1 H1 116.0 . . ?
B1 C1 C2 110.3(4) . . ?
B4 C1 Ir1 128.3(4) . . ?
B4 C1 H1 115.3 . . ?
B4 C1 C2 108.3(4) . . ?
B4 C1 B1 64.4(4) . . ?
B4 C1 B8 63.5(4) . . ?
B8 C1 Ir1 120.1(3) . . ?
B8 C1 H1 117.9 . . ?
B8 C1 C2 57.7(3) . . ?
B8 C1 B1 116.2(5) . . ?
C1 C2 Ir1 65.1(2) . . ?
C3 C2 Ir1 78.7(3) . . ?
C3 C2 C1 106.3(4) . . ?
C3 C2 B3 116.2(4) . . ?
C3 C2 B7 143.6(4) . . ?
C3 C2 B8 129.3(5) . . ?
B3 C2 Ir1 68.3(2) . . ?
B3 C2 C1 106.6(3) . . ?
B7 C2 Ir1 126.7(4) . . ?
B7 C2 C1 108.2(4) . . ?
B7 C2 B3 63.6(4) . . ?
B7 C2 B8 64.4(4) . . ?
B8 C2 Ir1 121.0(3) . . ?
B8 C2 C1 57.8(3) . . ?
B8 C2 B3 114.5(4) . . ?
Ir1 C3 H3 111.7 . . ?
C2 C3 Ir1 64.0(3) . . ?
C2 C3 H3 111.7 . . ?
C2 C3 C4 125.8(5) . . ?
C4 C3 Ir1 124.0(3) . . ?
C4 C3 H3 111.7 . . ?
C5 C4 C3 122.2(5) . . ?
C5 C4 C9 119.0(5) . . ?
C9 C4 C3 118.7(5) . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(5) . . ?
C6 C5 H5 119.1 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.1(6) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.0(5) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 119.2(5) . . ?
C13 C8 C7 120.8(5) . . ?
C13 C8 C9 119.9(6) . . ?
C8 C9 C4 118.9(5) . . ?
C10 C9 C4 124.0(5) . . ?
C10 C9 C8 117.1(5) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.7(5) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.6(6) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.5(6) . . ?
C13 C12 H12 120.3 . . ?
C8 C13 H13 119.4 . . ?
C12 C13 C8 121.2(6) . . ?
C12 C13 H13 119.4 . . ?
Ir1 C14 H14 113.2 . . ?
C15 C14 Ir1 73.0(3) . . ?
C15 C14 H14 113.2 . . ?
C15 C14 C21 125.7(6) . . ?
C21 C14 Ir1 111.5(4) . . ?
C21 C14 H14 113.2 . . ?
Ir1 C15 H15 113.7 . . ?
C14 C15 Ir1 70.4(3) . . ?
C14 C15 H15 113.7 . . ?
C14 C15 C16 124.1(5) . . ?
C16 C15 Ir1 113.8(4) . . ?
C16 C15 H15 113.7 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
C15 C16 C17 113.3(5) . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C16 C17 H17A 108.8 . . ?
C16 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 C16 113.6(5) . . ?
C18 C17 H17A 108.8 . . ?
C18 C17 H17B 108.8 . . ?
Ir1 C18 H18 114.1 . . ?
C17 C18 Ir1 112.9(4) . . ?
C17 C18 H18 114.1 . . ?
C19 C18 Ir1 71.5(3) . . ?
C19 C18 C17 122.9(5) . . ?
C19 C18 H18 114.1 . . ?
Ir1 C19 H19 113.8 . . ?
C18 C19 Ir1 70.6(3) . . ?
C18 C19 H19 113.8 . . ?
C18 C19 C20 122.7(5) . . ?
C20 C19 Ir1 115.0(4) . . ?
C20 C19 H19 113.8 . . ?
C19 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C19 C20 C21 112.3(5) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C14 C21 H21A 109.3 . . ?
C14 C21 H21B 109.3 . . ?
C20 C21 C14 111.8(5) . . ?
C20 C21 H21A 109.3 . . ?
C20 C21 H21B 109.3 . . ?
H21A C21 H21B 107.9 . . ?
Ir1 B1 H1A 111.9 . . ?
C1 B1 Ir1 63.2(2) . . ?
C1 B1 H1A 126.0 . . ?
C1 B1 B2 106.9(4) . . ?
C1 B1 B4 56.3(3) . . ?
C1 B1 B5 103.2(4) . . ?
B2 B1 Ir1 67.7(3) . . ?
B2 B1 H1A 120.7 . . ?
B2 B1 B4 107.2(5) . . ?
B4 B1 Ir1 114.3(3) . . ?
B4 B1 H1A 122.6 . . ?
B5 B1 Ir1 118.5(4) . . ?
B5 B1 H1A 121.2 . . ?
B5 B1 B2 60.0(4) . . ?
B5 B1 B4 59.0(4) . . ?
Ir1 B2 H2 113.3 . . ?
B1 B2 Ir1 65.8(3) . . ?
B1 B2 H2 121.4 . . ?
B3 B2 Ir1 64.2(3) . . ?
B3 B2 B1 109.5(4) . . ?
B3 B2 H2 122.4 . . ?
B3 B2 B6 58.2(3) . . ?
B5 B2 Ir1 116.2(4) . . ?
B5 B2 B1 59.1(3) . . ?
B5 B2 H2 121.3 . . ?
B5 B2 B3 106.6(4) . . ?
B5 B2 B6 58.9(4) . . ?
B6 B2 Ir1 114.2(3) . . ?
B6 B2 B1 106.3(4) . . ?
B6 B2 H2 122.6 . . ?
Ir1 B3 H3A 111.2 . . ?
C2 B3 Ir1 62.9(2) . . ?
C2 B3 B2 106.7(4) . . ?
C2 B3 H3A 127.7 . . ?
C2 B3 B7 54.4(3) . . ?
B2 B3 Ir1 69.0(3) . . ?
B2 B3 H3A 119.6 . . ?
B2 B3 B7 108.5(4) . . ?
B6 B3 Ir1 120.6(4) . . ?
B6 B3 C2 102.4(4) . . ?
B6 B3 B2 61.0(3) . . ?
B6 B3 H3A 120.1 . . ?
B6 B3 B7 60.0(4) . . ?
B7 B3 Ir1 113.4(4) . . ?
B7 B3 H3A 123.0 . . ?
C1 B4 B1 59.3(3) . . ?
C1 B4 H4 123.6 . . ?
C1 B4 B5 106.0(5) . . ?
C1 B4 B8 59.6(3) . . ?
C1 B4 B9 106.9(5) . . ?
B1 B4 H4 121.4 . . ?
B5 B4 B1 59.5(4) . . ?
B5 B4 H4 121.7 . . ?
B5 B4 B8 109.4(5) . . ?
B8 B4 B1 108.9(4) . . ?
B8 B4 H4 120.7 . . ?
B9 B4 B1 109.1(5) . . ?
B9 B4 H4 121.1 . . ?
B9 B4 B5 61.3(4) . . ?
B9 B4 B8 60.5(4) . . ?
B1 B5 B2 61.0(3) . . ?
B1 B5 H5A 120.4 . . ?
B1 B5 B9 108.8(4) . . ?
B2 B5 H5A 120.3 . . ?
B2 B5 B9 109.1(4) . . ?
B4 B5 B1 61.5(4) . . ?
B4 B5 B2 110.0(4) . . ?
B4 B5 H5A 121.4 . . ?
B4 B5 B6 107.6(4) . . ?
B4 B5 B9 59.0(4) . . ?
B6 B5 B1 109.3(4) . . ?
B6 B5 B2 60.8(4) . . ?
B6 B5 H5A 121.7 . . ?
B6 B5 B9 59.7(4) . . ?
B9 B5 H5A 122.0 . . ?
B2 B6 H6A 120.8 . . ?
B3 B6 B2 60.8(3) . . ?
B3 B6 B5 109.7(4) . . ?
B3 B6 H6A 119.8 . . ?
B3 B6 B7 62.0(3) . . ?
B3 B6 B9 110.2(4) . . ?
B5 B6 B2 60.2(4) . . ?
B5 B6 H6A 121.2 . . ?
B5 B6 B7 108.7(5) . . ?
B5 B6 B9 60.8(4) . . ?
B7 B6 B2 109.9(4) . . ?
B7 B6 H6A 120.9 . . ?
B9 B6 B2 109.4(5) . . ?
B9 B6 H6A 121.0 . . ?
B9 B6 B7 59.5(4) . . ?
C2 B7 B3 62.0(3) . . ?
C2 B7 B6 106.9(4) . . ?
C2 B7 H7A 121.8 . . ?
C2 B7 B8 59.4(3) . . ?
C2 B7 B9 107.1(4) . . ?
B3 B7 H7A 121.2 . . ?
B6 B7 B3 58.0(4) . . ?
B6 B7 H7A 123.0 . . ?
B6 B7 B8 107.5(5) . . ?
B8 B7 B3 109.5(4) . . ?
B8 B7 H7A 121.3 . . ?
B9 B7 B3 107.3(5) . . ?
B9 B7 B6 59.9(4) . . ?
B9 B7 H7A 122.3 . . ?
B9 B7 B8 59.9(4) . . ?
C1 B8 B4 56.9(3) . . ?
C1 B8 B7 107.0(4) . . ?
C1 B8 H8 122.3 . . ?
C1 B8 B9 103.4(5) . . ?
C2 B8 C1 64.5(3) . . ?
C2 B8 B4 108.4(4) . . ?
C2 B8 B7 56.2(3) . . ?
C2 B8 H8 121.8 . . ?
C2 B8 B9 103.8(5) . . ?
B4 B8 B7 106.7(5) . . ?
B4 B8 H8 122.5 . . ?
B7 B8 H8 123.2 . . ?
B9 B8 B4 58.8(4) . . ?
B9 B8 B7 59.2(4) . . ?
B9 B8 H8 125.0 . . ?
B4 B9 B5 59.7(4) . . ?
B4 B9 B6 107.9(5) . . ?
B4 B9 B7 109.6(4) . . ?
B4 B9 B8 60.6(4) . . ?
B4 B9 H9 121.3 . . ?
B5 B9 H9 122.1 . . ?
B6 B9 B5 59.5(4) . . ?
B6 B9 B8 108.9(4) . . ?
B6 B9 H9 121.7 . . ?
B7 B9 B5 108.5(5) . . ?
B7 B9 B6 60.6(4) . . ?
B7 B9 B8 60.9(4) . . ?
B7 B9 H9 120.6 . . ?
B8 B9 B5 108.3(5) . . ?
B8 B9 H9 121.0 . . ?

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
Ir1 C1 C2 C3 68.8(3) . . . . ?
Ir1 C1 C2 B3 -55.7(3) . . . . ?
Ir1 C1 C2 B7 -122.7(4) . . . . ?
Ir1 C1 C2 B8 -164.6(4) . . . . ?
Ir1 C1 B1 B2 53.2(3) . . . . ?
Ir1 C1 B1 B4 153.0(4) . . . . ?
Ir1 C1 B1 B5 115.5(4) . . . . ?
Ir1 C1 B4 B1 -33.1(5) . . . . ?
Ir1 C1 B4 B5 5.2(7) . . . . ?
Ir1 C1 B4 B8 108.7(5) . . . . ?
Ir1 C1 B4 B9 69.4(6) . . . . ?
Ir1 C1 B8 C2 16.1(4) . . . . ?
Ir1 C1 B8 B4 -120.8(5) . . . . ?
Ir1 C1 B8 B7 -21.6(6) . . . . ?
Ir1 C1 B8 B9 -83.0(4) . . . . ?
Ir1 C2 C3 C4 -114.5(5) . . . . ?
Ir1 C2 B3 B2 -55.1(3) . . . . ?
Ir1 C2 B3 B6 -118.2(4) . . . . ?
Ir1 C2 B3 B7 -156.2(4) . . . . ?
Ir1 C2 B7 B3 27.9(4) . . . . ?
Ir1 C2 B7 B6 -10.1(6) . . . . ?
Ir1 C2 B7 B8 -110.8(4) . . . . ?
Ir1 C2 B7 B9 -73.0(6) . . . . ?
Ir1 C2 B8 C1 -16.3(4) . . . . ?
Ir1 C2 B8 B4 20.8(7) . . . . ?
Ir1 C2 B8 B7 119.0(5) . . . . ?
Ir1 C2 B8 B9 82.2(5) . . . . ?
Ir1 C3 C4 C5 -82.3(6) . . . . ?
Ir1 C3 C4 C9 102.0(5) . . . . ?
Ir1 C14 C15 C16 106.0(5) . . . . ?
Ir1 C14 C21 C20 -37.0(7) . . . . ?
Ir1 C15 C16 C17 -7.8(6) . . . . ?
Ir1 C18 C19 C20 107.8(5) . . . . ?
Ir1 C19 C20 C21 -13.3(7) . . . . ?
Ir1 B1 B2 B3 48.3(4) . . . . ?
Ir1 B1 B2 B5 146.4(3) . . . . ?
Ir1 B1 B2 B6 109.7(4) . . . . ?
Ir1 B1 B4 C1 26.4(4) . . . . ?
Ir1 B1 B4 B5 -109.8(4) . . . . ?
Ir1 B1 B4 B8 -7.9(6) . . . . ?
Ir1 B1 B4 B9 -72.3(5) . . . . ?
Ir1 B1 B5 B2 -35.6(4) . . . . ?
Ir1 B1 B5 B4 102.7(4) . . . . ?
Ir1 B1 B5 B6 2.6(6) . . . . ?
Ir1 B1 B5 B9 66.2(5) . . . . ?
Ir1 B2 B3 C2 51.4(3) . . . . ?
Ir1 B2 B3 B6 146.7(4) . . . . ?
Ir1 B2 B3 B7 108.7(4) . . . . ?
Ir1 B2 B5 B1 34.3(4) . . . . ?
Ir1 B2 B5 B4 -4.2(6) . . . . ?
Ir1 B2 B5 B6 -103.7(4) . . . . ?
Ir1 B2 B5 B9 -67.2(5) . . . . ?
Ir1 B2 B6 B3 -32.8(4) . . . . ?
Ir1 B2 B6 B5 107.1(4) . . . . ?
Ir1 B2 B6 B7 6.4(6) . . . . ?
Ir1 B2 B6 B9 70.0(5) . . . . ?
Ir1 B3 B6 B2 36.6(4) . . . . ?
Ir1 B3 B6 B5 0.2(6) . . . . ?
Ir1 B3 B6 B7 -101.0(5) . . . . ?
Ir1 B3 B6 B9 -65.0(6) . . . . ?
Ir1 B3 B7 C2 -23.1(3) . . . . ?
Ir1 B3 B7 B6 113.0(4) . . . . ?
Ir1 B3 B7 B8 14.0(6) . . . . ?
Ir1 B3 B7 B9 77.5(5) . . . . ?
C1 C2 C3 Ir1 -59.6(3) . . . . ?
C1 C2 C3 C4 -174.1(4) . . . . ?
C1 C2 B3 Ir1 53.7(3) . . . . ?
C1 C2 B3 B2 -1.3(5) . . . . ?
C1 C2 B3 B6 -64.5(4) . . . . ?
C1 C2 B3 B7 -102.4(4) . . . . ?
C1 C2 B7 B3 99.9(4) . . . . ?
C1 C2 B7 B6 62.0(5) . . . . ?
C1 C2 B7 B8 -38.8(4) . . . . ?
C1 C2 B7 B9 -0.9(6) . . . . ?
C1 C2 B8 B4 37.2(4) . . . . ?
C1 C2 B8 B7 135.3(5) . . . . ?
C1 C2 B8 B9 98.5(5) . . . . ?
C1 B1 B2 Ir1 -50.6(3) . . . . ?
C1 B1 B2 B3 -2.3(6) . . . . ?
C1 B1 B2 B5 95.8(4) . . . . ?
C1 B1 B2 B6 59.1(5) . . . . ?
C1 B1 B4 B5 -136.2(5) . . . . ?
C1 B1 B4 B8 -34.3(4) . . . . ?
C1 B1 B4 B9 -98.7(5) . . . . ?
C1 B1 B5 B2 -102.1(4) . . . . ?
C1 B1 B5 B4 36.3(4) . . . . ?
C1 B1 B5 B6 -63.8(5) . . . . ?
C1 B1 B5 B9 -0.2(5) . . . . ?
C1 B4 B5 B1 -38.2(4) . . . . ?
C1 B4 B5 B2 0.0(6) . . . . ?
C1 B4 B5 B6 64.6(5) . . . . ?
C1 B4 B5 B9 100.8(5) . . . . ?
C1 B4 B8 C2 -40.6(4) . . . . ?
C1 B4 B8 B7 -99.7(5) . . . . ?
C1 B4 B8 B9 -135.9(5) . . . . ?
C1 B4 B9 B5 -99.4(5) . . . . ?
C1 B4 B9 B6 -63.3(5) . . . . ?
C1 B4 B9 B7 1.2(6) . . . . ?
C1 B4 B9 B8 38.8(4) . . . . ?
C1 B8 B9 B4 -36.8(4) . . . . ?
C1 B8 B9 B5 0.5(6) . . . . ?
C1 B8 B9 B6 63.6(5) . . . . ?
C1 B8 B9 B7 102.0(4) . . . . ?
C2 C1 B1 Ir1 -51.8(3) . . . . ?
C2 C1 B1 B2 1.4(5) . . . . ?
C2 C1 B1 B4 101.2(5) . . . . ?
C2 C1 B1 B5 63.7(5) . . . . ?
C2 C1 B4 B1 -104.3(4) . . . . ?
C2 C1 B4 B5 -65.9(5) . . . . ?
C2 C1 B4 B8 37.6(4) . . . . ?
C2 C1 B4 B9 -1.7(6) . . . . ?
C2 C1 B8 B4 -136.8(5) . . . . ?
C2 C1 B8 B7 -37.6(4) . . . . ?
C2 C1 B8 B9 -99.1(5) . . . . ?
C2 C3 C4 C5 -1.9(8) . . . . ?
C2 C3 C4 C9 -177.5(5) . . . . ?
C2 B3 B6 B2 102.3(4) . . . . ?
C2 B3 B6 B5 65.9(5) . . . . ?
C2 B3 B6 B7 -35.3(4) . . . . ?
C2 B3 B6 B9 0.8(5) . . . . ?
C2 B3 B7 B6 136.0(4) . . . . ?
C2 B3 B7 B8 37.1(4) . . . . ?
C2 B3 B7 B9 100.5(5) . . . . ?
C2 B7 B8 C1 41.6(4) . . . . ?
C2 B7 B8 B4 101.3(4) . . . . ?
C2 B7 B8 B9 137.3(5) . . . . ?
C2 B7 B9 B4 -0.1(6) . . . . ?
C2 B7 B9 B5 63.5(6) . . . . ?
C2 B7 B9 B6 100.0(5) . . . . ?
C2 B7 B9 B8 -37.6(4) . . . . ?
C2 B8 B9 B4 -103.4(5) . . . . ?
C2 B8 B9 B5 -66.1(5) . . . . ?
C2 B8 B9 B6 -3.0(6) . . . . ?
C2 B8 B9 B7 35.4(4) . . . . ?
C3 C2 B3 Ir1 -64.5(4) . . . . ?
C3 C2 B3 B2 -119.6(5) . . . . ?
C3 C2 B3 B6 177.3(4) . . . . ?
C3 C2 B3 B7 139.3(5) . . . . ?
C3 C2 B7 B3 -99.0(8) . . . . ?
C3 C2 B7 B6 -136.9(7) . . . . ?
C3 C2 B7 B8 122.3(8) . . . . ?
C3 C2 B7 B9 160.2(7) . . . . ?
C3 C2 B8 C1 85.0(6) . . . . ?
C3 C2 B8 B4 122.2(6) . . . . ?
C3 C2 B8 B7 -139.6(6) . . . . ?
C3 C2 B8 B9 -176.5(5) . . . . ?
C3 C4 C5 C6 -176.7(5) . . . . ?
C3 C4 C9 C8 175.9(5) . . . . ?
C3 C4 C9 C10 -2.7(8) . . . . ?
C4 C5 C6 C7 1.6(8) . . . . ?
C4 C9 C10 C11 178.1(5) . . . . ?
C5 C4 C9 C8 0.1(7) . . . . ?
C5 C4 C9 C10 -178.5(5) . . . . ?
C5 C6 C7 C8 -1.0(9) . . . . ?
C6 C7 C8 C9 0.0(9) . . . . ?
C6 C7 C8 C13 178.3(6) . . . . ?
C7 C8 C9 C4 0.4(8) . . . . ?
C7 C8 C9 C10 179.1(5) . . . . ?
C7 C8 C13 C12 -179.7(6) . . . . ?
C8 C9 C10 C11 -0.5(8) . . . . ?
C9 C4 C5 C6 -1.1(8) . . . . ?
C9 C8 C13 C12 -1.4(10) . . . . ?
C9 C10 C11 C12 0.6(10) . . . . ?
C10 C11 C12 C13 -1.2(11) . . . . ?
C11 C12 C13 C8 1.6(11) . . . . ?
C13 C8 C9 C4 -177.8(5) . . . . ?
C13 C8 C9 C10 0.9(8) . . . . ?
C14 C15 C16 C17 -89.5(7) . . . . ?
C15 C14 C21 C20 47.1(8) . . . . ?
C15 C16 C17 C18 25.3(7) . . . . ?
C16 C17 C18 Ir1 -31.2(6) . . . . ?
C16 C17 C18 C19 51.0(7) . . . . ?
C17 C18 C19 Ir1 -105.8(5) . . . . ?
C17 C18 C19 C20 2.0(8) . . . . ?
C18 C19 C20 C21 -95.4(7) . . . . ?
C19 C20 C21 C14 32.6(8) . . . . ?
C21 C14 C15 Ir1 -104.6(6) . . . . ?
C21 C14 C15 C16 1.4(9) . . . . ?
B1 C1 C2 Ir1 55.7(3) . . . . ?
B1 C1 C2 C3 124.5(4) . . . . ?
B1 C1 C2 B3 -0.1(5) . . . . ?
B1 C1 C2 B7 -67.0(5) . . . . ?
B1 C1 C2 B8 -108.9(5) . . . . ?
B1 C1 B4 B5 38.4(4) . . . . ?
B1 C1 B4 B8 141.8(5) . . . . ?
B1 C1 B4 B9 102.6(5) . . . . ?
B1 C1 B8 C2 98.4(4) . . . . ?
B1 C1 B8 B4 -38.4(4) . . . . ?
B1 C1 B8 B7 60.8(5) . . . . ?
B1 C1 B8 B9 -0.7(6) . . . . ?
B1 B2 B3 Ir1 -49.2(4) . . . . ?
B1 B2 B3 C2 2.2(6) . . . . ?
B1 B2 B3 B6 97.5(5) . . . . ?
B1 B2 B3 B7 59.5(5) . . . . ?
B1 B2 B5 B4 -38.4(4) . . . . ?
B1 B2 B5 B6 -137.9(4) . . . . ?
B1 B2 B5 B9 -101.4(5) . . . . ?
B1 B2 B6 B3 -103.2(4) . . . . ?
B1 B2 B6 B5 36.8(4) . . . . ?
B1 B2 B6 B7 -63.9(5) . . . . ?
B1 B2 B6 B9 -0.3(5) . . . . ?
B1 B4 B5 B2 38.2(4) . . . . ?
B1 B4 B5 B6 102.8(4) . . . . ?
B1 B4 B5 B9 139.0(4) . . . . ?
B1 B4 B8 C1 34.2(4) . . . . ?
B1 B4 B8 C2 -6.4(7) . . . . ?
B1 B4 B8 B7 -65.6(6) . . . . ?
B1 B4 B8 B9 -101.8(5) . . . . ?
B1 B4 B9 B5 -36.8(4) . . . . ?
B1 B4 B9 B6 -0.6(6) . . . . ?
B1 B4 B9 B7 63.8(6) . . . . ?
B1 B4 B9 B8 101.4(4) . . . . ?
B1 B5 B6 B2 -38.3(4) . . . . ?
B1 B5 B6 B3 -1.7(6) . . . . ?
B1 B5 B6 B7 64.4(6) . . . . ?
B1 B5 B6 B9 101.0(5) . . . . ?
B1 B5 B9 B4 37.5(4) . . . . ?
B1 B5 B9 B6 -101.8(5) . . . . ?
B1 B5 B9 B7 -64.8(6) . . . . ?
B1 B5 B9 B8 -0.2(6) . . . . ?
B2 B1 B4 C1 99.1(5) . . . . ?
B2 B1 B4 B5 -37.1(4) . . . . ?
B2 B1 B4 B8 64.9(6) . . . . ?
B2 B1 B4 B9 0.4(5) . . . . ?
B2 B1 B5 B4 138.3(4) . . . . ?
B2 B1 B5 B6 38.3(4) . . . . ?
B2 B1 B5 B9 101.9(5) . . . . ?
B2 B3 B6 B5 -36.4(4) . . . . ?
B2 B3 B6 B7 -137.6(5) . . . . ?
B2 B3 B6 B9 -101.6(5) . . . . ?
B2 B3 B7 C2 -97.6(4) . . . . ?
B2 B3 B7 B6 38.4(4) . . . . ?
B2 B3 B7 B8 -60.6(5) . . . . ?
B2 B3 B7 B9 2.9(6) . . . . ?
B2 B5 B6 B3 36.7(4) . . . . ?
B2 B5 B6 B7 102.8(5) . . . . ?
B2 B5 B6 B9 139.4(4) . . . . ?
B2 B5 B9 B4 102.4(5) . . . . ?
B2 B5 B9 B6 -37.0(4) . . . . ?
B2 B5 B9 B7 0.1(6) . . . . ?
B2 B5 B9 B8 64.6(6) . . . . ?
B2 B6 B7 C2 1.1(6) . . . . ?
B2 B6 B7 B3 -38.7(4) . . . . ?
B2 B6 B7 B8 63.6(6) . . . . ?
B2 B6 B7 B9 101.4(5) . . . . ?
B2 B6 B9 B4 0.6(6) . . . . ?
B2 B6 B9 B5 36.8(4) . . . . ?
B2 B6 B9 B7 -102.2(5) . . . . ?
B2 B6 B9 B8 -63.7(6) . . . . ?
B3 C2 C3 Ir1 58.8(3) . . . . ?
B3 C2 C3 C4 -55.6(6) . . . . ?
B3 C2 B7 B6 -38.0(4) . . . . ?
B3 C2 B7 B8 -138.7(4) . . . . ?
B3 C2 B7 B9 -100.9(5) . . . . ?
B3 C2 B8 C1 -94.8(4) . . . . ?
B3 C2 B8 B4 -57.7(6) . . . . ?
B3 C2 B8 B7 40.5(4) . . . . ?
B3 C2 B8 B9 3.7(5) . . . . ?
B3 B2 B5 B1 103.2(4) . . . . ?
B3 B2 B5 B4 64.7(6) . . . . ?
B3 B2 B5 B6 -34.8(4) . . . . ?
B3 B2 B5 B9 1.7(6) . . . . ?
B3 B2 B6 B5 139.9(4) . . . . ?
B3 B2 B6 B7 39.3(4) . . . . ?
B3 B2 B6 B9 102.9(5) . . . . ?
B3 B6 B7 C2 39.9(4) . . . . ?
B3 B6 B7 B8 102.4(5) . . . . ?
B3 B6 B7 B9 140.1(5) . . . . ?
B3 B6 B9 B4 65.7(6) . . . . ?
B3 B6 B9 B5 101.9(5) . . . . ?
B3 B6 B9 B7 -37.1(4) . . . . ?
B3 B6 B9 B8 1.4(6) . . . . ?
B3 B7 B8 C1 3.4(6) . . . . ?
B3 B7 B8 C2 -38.2(4) . . . . ?
B3 B7 B8 B4 63.1(5) . . . . ?
B3 B7 B8 B9 99.2(5) . . . . ?
B3 B7 B9 B4 -65.4(6) . . . . ?
B3 B7 B9 B5 -1.8(6) . . . . ?
B3 B7 B9 B6 34.7(4) . . . . ?
B3 B7 B9 B8 -102.9(5) . . . . ?
B4 C1 C2 Ir1 124.4(4) . . . . ?
B4 C1 C2 C3 -166.8(4) . . . . ?
B4 C1 C2 B3 68.7(5) . . . . ?
B4 C1 C2 B7 1.7(6) . . . . ?
B4 C1 C2 B8 -40.2(4) . . . . ?
B4 C1 B1 Ir1 -153.0(4) . . . . ?
B4 C1 B1 B2 -99.8(5) . . . . ?
B4 C1 B1 B5 -37.5(4) . . . . ?
B4 C1 B8 C2 136.8(5) . . . . ?
B4 C1 B8 B7 99.2(5) . . . . ?
B4 C1 B8 B9 37.7(4) . . . . ?
B4 B1 B2 Ir1 -109.8(4) . . . . ?
B4 B1 B2 B3 -61.4(5) . . . . ?
B4 B1 B2 B5 36.6(4) . . . . ?
B4 B1 B2 B6 -0.1(5) . . . . ?
B4 B1 B5 B2 -138.3(4) . . . . ?
B4 B1 B5 B6 -100.0(5) . . . . ?
B4 B1 B5 B9 -36.4(4) . . . . ?
B4 B5 B6 B2 -103.5(5) . . . . ?
B4 B5 B6 B3 -66.9(6) . . . . ?
B4 B5 B6 B7 -0.7(6) . . . . ?
B4 B5 B6 B9 35.8(4) . . . . ?
B4 B5 B9 B6 -139.4(4) . . . . ?
B4 B5 B9 B7 -102.3(5) . . . . ?
B4 B5 B9 B8 -37.7(4) . . . . ?
B4 B8 B9 B5 37.3(4) . . . . ?
B4 B8 B9 B6 100.4(5) . . . . ?
B4 B8 B9 B7 138.8(5) . . . . ?
B5 B1 B2 Ir1 -146.4(3) . . . . ?
B5 B1 B2 B3 -98.1(5) . . . . ?
B5 B1 B2 B6 -36.7(4) . . . . ?
B5 B1 B4 C1 136.2(5) . . . . ?
B5 B1 B4 B8 101.9(5) . . . . ?
B5 B1 B4 B9 37.5(4) . . . . ?
B5 B2 B3 Ir1 -111.5(4) . . . . ?
B5 B2 B3 C2 -60.1(5) . . . . ?
B5 B2 B3 B6 35.1(4) . . . . ?
B5 B2 B3 B7 -2.8(6) . . . . ?
B5 B2 B6 B3 -139.9(4) . . . . ?
B5 B2 B6 B7 -100.7(5) . . . . ?
B5 B2 B6 B9 -37.1(4) . . . . ?
B5 B4 B8 C1 97.6(5) . . . . ?
B5 B4 B8 C2 57.0(6) . . . . ?
B5 B4 B8 B7 -2.1(6) . . . . ?
B5 B4 B8 B9 -38.3(4) . . . . ?
B5 B4 B9 B6 36.1(4) . . . . ?
B5 B4 B9 B7 100.6(5) . . . . ?
B5 B4 B9 B8 138.2(4) . . . . ?
B5 B6 B7 C2 -63.1(5) . . . . ?
B5 B6 B7 B3 -103.0(5) . . . . ?
B5 B6 B7 B8 -0.6(6) . . . . ?
B5 B6 B7 B9 37.1(4) . . . . ?
B5 B6 B9 B4 -36.2(4) . . . . ?
B5 B6 B9 B7 -139.1(5) . . . . ?
B5 B6 B9 B8 -100.5(5) . . . . ?
B6 B2 B3 Ir1 -146.7(4) . . . . ?
B6 B2 B3 C2 -95.2(5) . . . . ?
B6 B2 B3 B7 -38.0(4) . . . . ?
B6 B2 B5 B1 137.9(4) . . . . ?
B6 B2 B5 B4 99.5(5) . . . . ?
B6 B2 B5 B9 36.5(4) . . . . ?
B6 B3 B7 C2 -136.0(4) . . . . ?
B6 B3 B7 B8 -99.0(5) . . . . ?
B6 B3 B7 B9 -35.5(4) . . . . ?
B6 B5 B9 B4 139.4(4) . . . . ?
B6 B5 B9 B7 37.0(4) . . . . ?
B6 B5 B9 B8 101.6(5) . . . . ?
B6 B7 B8 C1 -58.1(5) . . . . ?
B6 B7 B8 C2 -99.6(5) . . . . ?
B6 B7 B8 B4 1.6(6) . . . . ?
B6 B7 B8 B9 37.7(4) . . . . ?
B6 B7 B9 B4 -100.1(5) . . . . ?
B6 B7 B9 B5 -36.5(4) . . . . ?
B6 B7 B9 B8 -137.6(5) . . . . ?
B7 C2 C3 Ir1 139.1(8) . . . . ?
B7 C2 C3 C4 24.6(10) . . . . ?
B7 C2 B3 Ir1 156.2(4) . . . . ?
B7 C2 B3 B2 101.1(5) . . . . ?
B7 C2 B3 B6 38.0(4) . . . . ?
B7 C2 B8 C1 -135.3(5) . . . . ?
B7 C2 B8 B4 -98.1(6) . . . . ?
B7 C2 B8 B9 -36.8(4) . . . . ?
B7 B3 B6 B2 137.6(5) . . . . ?
B7 B3 B6 B5 101.2(5) . . . . ?
B7 B3 B6 B9 36.1(4) . . . . ?
B7 B6 B9 B4 102.8(5) . . . . ?
B7 B6 B9 B5 139.1(5) . . . . ?
B7 B6 B9 B8 38.5(4) . . . . ?
B7 B8 B9 B4 -138.8(5) . . . . ?
B7 B8 B9 B5 -101.5(5) . . . . ?
B7 B8 B9 B6 -38.4(4) . . . . ?
B8 C1 C2 Ir1 164.6(4) . . . . ?
B8 C1 C2 C3 -126.6(5) . . . . ?
B8 C1 C2 B3 108.8(5) . . . . ?
B8 C1 C2 B7 41.9(5) . . . . ?
B8 C1 B1 Ir1 -114.9(4) . . . . ?
B8 C1 B1 B2 -61.7(5) . . . . ?
B8 C1 B1 B4 38.1(4) . . . . ?
B8 C1 B1 B5 0.6(5) . . . . ?
B8 C1 B4 B1 -141.8(5) . . . . ?
B8 C1 B4 B5 -103.5(5) . . . . ?
B8 C1 B4 B9 -39.2(5) . . . . ?
B8 C2 C3 Ir1 -121.0(5) . . . . ?
B8 C2 C3 C4 124.5(6) . . . . ?
B8 C2 B3 Ir1 115.4(4) . . . . ?
B8 C2 B3 B2 60.3(5) . . . . ?
B8 C2 B3 B6 -2.8(5) . . . . ?
B8 C2 B3 B7 -40.8(4) . . . . ?
B8 C2 B7 B3 138.7(4) . . . . ?
B8 C2 B7 B6 100.7(5) . . . . ?
B8 C2 B7 B9 37.8(4) . . . . ?
B8 B4 B5 B1 -101.0(5) . . . . ?
B8 B4 B5 B2 -62.8(6) . . . . ?
B8 B4 B5 B6 1.8(6) . . . . ?
B8 B4 B5 B9 38.0(4) . . . . ?
B8 B4 B9 B5 -138.2(4) . . . . ?
B8 B4 B9 B6 -102.1(5) . . . . ?
B8 B4 B9 B7 -37.6(4) . . . . ?
B8 B7 B9 B4 37.5(4) . . . . ?
B8 B7 B9 B5 101.1(5) . . . . ?
B8 B7 B9 B6 137.6(5) . . . . ?
B9 B4 B5 B1 -139.0(4) . . . . ?
B9 B4 B5 B2 -100.8(5) . . . . ?
B9 B4 B5 B6 -36.2(4) . . . . ?
B9 B4 B8 C1 135.9(5) . . . . ?
B9 B4 B8 C2 95.3(5) . . . . ?
B9 B4 B8 B7 36.2(4) . . . . ?
B9 B5 B6 B2 -139.4(4) . . . . ?
B9 B5 B6 B3 -102.7(5) . . . . ?
B9 B5 B6 B7 -36.6(4) . . . . ?
B9 B6 B7 C2 -100.3(5) . . . . ?
B9 B6 B7 B3 -140.1(5) . . . . ?
B9 B6 B7 B8 -37.7(4) . . . . ?
B9 B7 B8 C1 -95.8(5) . . . . ?
B9 B7 B8 C2 -137.3(5) . . . . ?
B9 B7 B8 B4 -36.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_5-Rh-Naph_3
_database_code_depnum_ccdc_archive 'CCDC 2019609'
loop_
_audit_author_name
_audit_author_address
'Jiao Jiao'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H30 B9 Rh'
_chemical_formula_sum            'C21 H30 B9 Rh'
_chemical_formula_weight         482.65
_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
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'
Rh Rh -1.1178 0.9187 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.807(3)
_cell_length_b                   13.250(4)
_cell_length_c                   13.613(4)
_cell_angle_alpha                93.578(3)
_cell_angle_beta                 94.625(3)
_cell_angle_gamma                92.707(3)
_cell_volume                     2294.8(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.544
_cell_measurement_theta_min      2.225
_shelx_estimated_absorpt_T_max   0.864
_shelx_estimated_absorpt_T_min   0.864
_exptl_absorpt_coefficient_mu    0.751
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24728
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.627
_diffrn_reflns_theta_min         1.504
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.951
_reflns_Friedel_fraction_full    0.960
_reflns_Friedel_fraction_max     0.935
_reflns_number_gt                17698
_reflns_number_total             18492
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.185
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 
;
 Flack x determined using 8159 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1129
_refine_ls_number_reflns         18492
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+3.9351P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3), C14(H14), C15(H15), C18(H18), C19(H19), C24(H24), C35(H35), C36(H36),
 C39(H39), C40(H40), C45(H45), C56(H56), C57(H57), C60(H60), C61(H61), C66(H66),
  C77(H77), C78(H78), C81(H81), C82(H82)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B), C20(H20A,H20B), C21(H21A,H21B), C37(H37A,
 H37B), C38(H38A,H38B), C41(H41A,H41B), C42(H42A,H42B), C58(H58A,H58B),
 C59(H59A,H59B), C62(H62A,H62B), C63(H63A,H63B), C79(H79A,H79B), C80(H80A,H80B),
  C83(H83A,H83B), C84(H84A,H84B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C26(H26),
 C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34), C47(H47), C48(H48),
  C49(H49), C52(H52), C53(H53), C54(H54), C55(H55), C68(H68), C69(H69),
 C70(H70), C73(H73), C74(H74), C75(H75), C76(H76)
2.d Boron cage BH refined with riding coordinates:
 C1(H1), B1(H1A), B2(H2), B3(H3A), B4(H4), B5(H5A), B6(H6A), B7(H7A), B8(H8),
 B9(H9), B10(H10A), B11(H11A), B12(H12A), B13(H13A), B14(H14A), B15(H15A),
 B16(H16), B17(H17), B18(H18A), B19(H19A), B20(H20), B21(H21), B22(H22A),
 B23(H23), B24(H24A), B25(H25), B26(H26A), B27(H27A), B28(H28A), B29(H29),
 B30(H30), B31(H31A), B32(H32A), B33(H33A), B34(H34A), B35(H35A), B36(H36A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.47402(3) 0.38665(3) 0.11481(3) 0.01766(11) Uani 1 1 d . . . . .
C1 C 0.5292(5) 0.2793(5) 0.0073(5) 0.0219(13) Uani 1 1 d . . . . .
H1 H 0.521171 0.205707 0.039884 0.026 Uiso 1 1 calc R . . . .
C2 C 0.4251(5) 0.3430(4) -0.0358(4) 0.0180(12) Uani 1 1 d . . . . .
C3 C 0.3322(5) 0.3091(4) 0.0047(4) 0.0181(12) Uani 1 1 d . . . . .
H3 H 0.328993 0.235296 0.007833 0.022 Uiso 1 1 calc R . . . .
C4 C 0.2263(5) 0.3471(4) -0.0098(4) 0.0195(12) Uani 1 1 d . . . . .
C5 C 0.2044(5) 0.4242(5) -0.0719(4) 0.0220(13) Uani 1 1 d . . . . .
H5 H 0.258507 0.455908 -0.102029 0.026 Uiso 1 1 calc R . . . .
C6 C 0.1010(5) 0.4546(5) -0.0897(5) 0.0304(15) Uani 1 1 d . . . . .
H6 H 0.087926 0.505842 -0.132066 0.037 Uiso 1 1 calc R . . . .
C7 C 0.0207(5) 0.4111(5) -0.0467(5) 0.0271(14) Uani 1 1 d . . . . .
H7 H -0.046744 0.432823 -0.059512 0.033 Uiso 1 1 calc R . . . .
C8 C 0.0380(5) 0.3322(5) 0.0184(5) 0.0251(13) Uani 1 1 d . . . . .
C9 C 0.1410(5) 0.2991(5) 0.0362(4) 0.0217(12) Uani 1 1 d . . . . .
C10 C 0.1555(5) 0.2197(5) 0.1017(5) 0.0276(14) Uani 1 1 d . . . . .
H10 H 0.221852 0.195133 0.113855 0.033 Uiso 1 1 calc R . . . .
C11 C 0.0734(6) 0.1800(6) 0.1464(6) 0.0392(19) Uani 1 1 d . . . . .
H11 H 0.084518 0.128691 0.189032 0.047 Uiso 1 1 calc R . . . .
C12 C -0.0289(6) 0.2149(7) 0.1293(7) 0.040(2) Uani 1 1 d . . . . .
H12 H -0.084200 0.187220 0.160884 0.048 Uiso 1 1 calc R . . . .
C13 C -0.0453(5) 0.2887(6) 0.0670(6) 0.0353(17) Uani 1 1 d . . . . .
H13 H -0.112536 0.311453 0.055555 0.042 Uiso 1 1 calc R . . . .
C14 C 0.4276(6) 0.2827(6) 0.2337(5) 0.0248(15) Uani 1 1 d . . . . .
H14 H 0.408750 0.212736 0.208500 0.030 Uiso 1 1 calc R . . . .
C15 C 0.5347(6) 0.3051(5) 0.2466(5) 0.0269(15) Uani 1 1 d . . . . .
H15 H 0.576387 0.247531 0.229127 0.032 Uiso 1 1 calc R . . . .
C16 C 0.5929(6) 0.3824(6) 0.3190(6) 0.0391(18) Uani 1 1 d . . . . .
H16A H 0.661886 0.397613 0.297186 0.047 Uiso 1 1 calc R . . . .
H16B H 0.602425 0.354187 0.382913 0.047 Uiso 1 1 calc R . . . .
C17 C 0.5345(6) 0.4822(6) 0.3299(5) 0.0328(16) Uani 1 1 d . . . . .
H17A H 0.482061 0.474490 0.376910 0.039 Uiso 1 1 calc R . . . .
H17B H 0.584096 0.536807 0.355746 0.039 Uiso 1 1 calc R . . . .
C18 C 0.4809(6) 0.5098(5) 0.2310(5) 0.0270(15) Uani 1 1 d . . . . .
H18 H 0.507195 0.574918 0.209770 0.032 Uiso 1 1 calc R . . . .
C19 C 0.3773(5) 0.4860(5) 0.1991(5) 0.0264(14) Uani 1 1 d . . . . .
H19 H 0.344287 0.537656 0.160381 0.032 Uiso 1 1 calc R . . . .
C20 C 0.3012(5) 0.4245(5) 0.2543(5) 0.0274(15) Uani 1 1 d . . . . .
H20A H 0.239449 0.404551 0.210094 0.033 Uiso 1 1 calc R . . . .
H20B H 0.279047 0.467098 0.308542 0.033 Uiso 1 1 calc R . . . .
C21 C 0.3465(5) 0.3292(5) 0.2956(5) 0.0291(15) Uani 1 1 d . . . . .
H21A H 0.378466 0.346350 0.361953 0.035 Uiso 1 1 calc R . . . .
H21B H 0.289544 0.279244 0.300052 0.035 Uiso 1 1 calc R . . . .
B1 B 0.6334(6) 0.3584(6) 0.0556(6) 0.0253(16) Uani 1 1 d . . . . .
H1A H 0.692072 0.342843 0.115546 0.030 Uiso 1 1 calc R . . . .
B2 B 0.5935(6) 0.4853(6) 0.0398(6) 0.0240(15) Uani 1 1 d . . . . .
H2 H 0.626761 0.550446 0.088273 0.029 Uiso 1 1 calc R . . . .
B3 B 0.4613(6) 0.4773(6) -0.0153(5) 0.0199(15) Uani 1 1 d . . . . .
H3A H 0.409331 0.539573 -0.001989 0.024 Uiso 1 1 calc R . . . .
B4 B 0.4571(6) 0.4083(6) -0.1336(6) 0.0237(16) Uani 1 1 d . . . . .
H4 H 0.399378 0.425408 -0.193808 0.028 Uiso 1 1 calc R . . . .
B5 B 0.4980(6) 0.2807(5) -0.1166(5) 0.0232(15) Uani 1 1 d . . . . .
H5A H 0.466862 0.214545 -0.164791 0.028 Uiso 1 1 calc R . . . .
B6 B 0.6300(6) 0.2914(6) -0.0639(6) 0.0252(16) Uani 1 1 d . . . . .
H6A H 0.684599 0.231965 -0.079469 0.030 Uiso 1 1 calc R . . . .
B7 B 0.6708(6) 0.4215(6) -0.0471(6) 0.0266(16) Uani 1 1 d . . . . .
H7A H 0.753059 0.446794 -0.052741 0.032 Uiso 1 1 calc R . . . .
B8 B 0.5660(6) 0.4933(6) -0.0901(5) 0.0236(15) Uani 1 1 d . . . . .
H8 H 0.580223 0.565171 -0.124388 0.028 Uiso 1 1 calc R . . . .
B9 B 0.5881(6) 0.3747(6) -0.1532(6) 0.0254(15) Uani 1 1 d . . . . .
H9 H 0.615807 0.369968 -0.227670 0.030 Uiso 1 1 calc R . . . .
Rh2 Rh 0.01378(4) 0.11163(3) 0.62842(3) 0.01793(11) Uani 1 1 d . . . . .
C22 C -0.0734(5) 0.2239(5) 0.5540(5) 0.0253(15) Uani 1 1 d . . . . .
C23 C 0.0085(5) 0.1576(5) 0.4816(5) 0.0245(15) Uani 1 1 d . . . . .
C24 C 0.1155(5) 0.1906(4) 0.5100(5) 0.0223(13) Uani 1 1 d . . . . .
H24 H 0.124571 0.264183 0.523005 0.027 Uiso 1 1 calc R . . . .
C25 C 0.2083(5) 0.1465(5) 0.4717(5) 0.0246(14) Uani 1 1 d . . . . .
C26 C 0.2011(6) 0.0664(6) 0.3990(5) 0.0380(18) Uani 1 1 d . . . . .
H26 H 0.135489 0.037664 0.375683 0.046 Uiso 1 1 calc R . . . .
C27 C 0.2919(7) 0.0285(6) 0.3605(6) 0.048(2) Uani 1 1 d . . . . .
H27 H 0.285292 -0.025719 0.313174 0.058 Uiso 1 1 calc R . . . .
C28 C 0.3884(6) 0.0703(6) 0.3918(6) 0.0424(19) Uani 1 1 d . . . . .
H28 H 0.447307 0.044373 0.365793 0.051 Uiso 1 1 calc R . . . .
C29 C 0.4004(5) 0.1521(5) 0.4629(5) 0.0289(15) Uani 1 1 d . . . . .
C30 C 0.3103(5) 0.1916(4) 0.5040(4) 0.0219(13) Uani 1 1 d . . . . .
C31 C 0.3270(5) 0.2754(5) 0.5735(5) 0.0271(14) Uani 1 1 d . . . . .
H31 H 0.269782 0.302202 0.601823 0.033 Uiso 1 1 calc R . . . .
C32 C 0.4256(5) 0.3186(6) 0.6006(5) 0.0308(16) Uani 1 1 d . . . . .
H32 H 0.434015 0.374014 0.646392 0.037 Uiso 1 1 calc R . . . .
C33 C 0.5139(6) 0.2798(7) 0.5597(6) 0.0355(18) Uani 1 1 d . . . . .
H33 H 0.580632 0.308671 0.578674 0.043 Uiso 1 1 calc R . . . .
C34 C 0.5002(5) 0.1996(6) 0.4920(5) 0.0333(17) Uani 1 1 d . . . . .
H34 H 0.558589 0.175076 0.463851 0.040 Uiso 1 1 calc R . . . .
C35 C 0.0471(6) -0.0176(5) 0.7177(5) 0.0321(17) Uani 1 1 d . . . . .
H35 H 0.012360 -0.081699 0.689877 0.038 Uiso 1 1 calc R . . . .
C36 C 0.1354(5) 0.0108(5) 0.6719(5) 0.0299(15) Uani 1 1 d . . . . .
H36 H 0.151540 -0.037648 0.618536 0.036 Uiso 1 1 calc R . . . .
C37 C 0.2320(5) 0.0695(5) 0.7237(5) 0.0304(15) Uani 1 1 d . . . . .
H37A H 0.276863 0.091462 0.674117 0.036 Uiso 1 1 calc R . . . .
H37B H 0.271077 0.024374 0.764480 0.036 Uiso 1 1 calc R . . . .
C38 C 0.2060(5) 0.1619(5) 0.7882(5) 0.0308(15) Uani 1 1 d . . . . .
H38A H 0.200408 0.142048 0.855019 0.037 Uiso 1 1 calc R . . . .
H38B H 0.263551 0.212451 0.790086 0.037 Uiso 1 1 calc R . . . .
C39 C 0.1054(5) 0.2091(5) 0.7530(5) 0.0240(14) Uani 1 1 d . . . . .
H39 H 0.114978 0.280492 0.738988 0.029 Uiso 1 1 calc R . . . .
C40 C 0.0076(6) 0.1834(6) 0.7822(5) 0.0247(15) Uani 1 1 d . . . . .
H40 H -0.038583 0.240236 0.785647 0.030 Uiso 1 1 calc R . . . .
C41 C -0.0181(7) 0.1011(6) 0.8496(5) 0.0367(18) Uani 1 1 d . . . . .
H41A H -0.093452 0.087155 0.844301 0.044 Uiso 1 1 calc R . . . .
H41B H 0.003230 0.125203 0.917327 0.044 Uiso 1 1 calc R . . . .
C42 C 0.0350(6) 0.0035(6) 0.8262(6) 0.0399(19) Uani 1 1 d . . . . .
H42A H 0.103833 0.006858 0.861956 0.048 Uiso 1 1 calc R . . . .
H42B H -0.005674 -0.052439 0.849469 0.048 Uiso 1 1 calc R . . . .
B10 B -0.1591(6) 0.1443(6) 0.6077(6) 0.0276(16) Uani 1 1 d . . . . .
H10A H -0.191047 0.158565 0.679598 0.033 Uiso 1 1 calc R . . . .
B11 B -0.1364(6) 0.0183(6) 0.5621(5) 0.0246(15) Uani 1 1 d . . . . .
H11A H -0.156402 -0.047488 0.603687 0.030 Uiso 1 1 calc R . . . .
B12 B -0.0268(6) 0.0248(6) 0.4868(6) 0.0241(16) Uani 1 1 d . . . . .
H12A H 0.024520 -0.039177 0.480575 0.029 Uiso 1 1 calc R . . . .
B13 B -0.0636(6) 0.0999(6) 0.3836(6) 0.0281(16) Uani 1 1 d . . . . .
H13A H -0.031745 0.085338 0.311630 0.034 Uiso 1 1 calc R . . . .
B14 B -0.0886(6) 0.2256(6) 0.4282(6) 0.0312(18) Uani 1 1 d . . . . .
H14A H -0.072514 0.293067 0.387538 0.037 Uiso 1 1 calc R . . . .
B15 B -0.1980(6) 0.2149(7) 0.5028(6) 0.0351(19) Uani 1 1 d . . . . .
H15A H -0.254108 0.274950 0.508645 0.042 Uiso 1 1 calc R . . . .
B16 B -0.2381(6) 0.0854(7) 0.5034(6) 0.0342(19) Uani 1 1 d . . . . .
H16 H -0.320903 0.061685 0.508085 0.041 Uiso 1 1 calc R . . . .
B17 B -0.1545(6) 0.0142(6) 0.4305(6) 0.0307(17) Uani 1 1 d . . . . .
H17 H -0.182862 -0.056375 0.387798 0.037 Uiso 1 1 calc R . . . .
B18 B -0.1934(6) 0.1350(6) 0.3928(7) 0.0324(19) Uani 1 1 d . . . . .
H18A H -0.246532 0.143038 0.326459 0.039 Uiso 1 1 calc R . . . .
Rh3 Rh 1.01551(4) 0.61601(3) 0.41863(3) 0.01975(12) Uani 1 1 d . . . . .
C43 C 1.1015(5) 0.7155(5) 0.5316(5) 0.0257(14) Uani 1 1 d . . . . .
C44 C 0.9996(5) 0.6480(5) 0.5716(5) 0.0235(14) Uani 1 1 d . . . . .
C45 C 0.9010(5) 0.6844(4) 0.5364(4) 0.0189(12) Uani 1 1 d . . . . .
H45 H 0.903598 0.758521 0.538718 0.023 Uiso 1 1 calc R . . . .
C46 C 0.7963(5) 0.6434(5) 0.5510(5) 0.0216(13) Uani 1 1 d . . . . .
C47 C 0.7796(5) 0.5648(5) 0.6124(5) 0.0280(15) Uani 1 1 d . . . . .
H47 H 0.836807 0.532292 0.639398 0.034 Uiso 1 1 calc R . . . .
C48 C 0.6783(6) 0.5338(6) 0.6343(6) 0.0364(17) Uani 1 1 d . . . . .
H48 H 0.670264 0.481853 0.676327 0.044 Uiso 1 1 calc R . . . .
C49 C 0.5919(6) 0.5772(5) 0.5961(5) 0.0319(16) Uani 1 1 d . . . . .
H49 H 0.525865 0.555581 0.612746 0.038 Uiso 1 1 calc R . . . .
C50 C 0.6020(5) 0.6558(5) 0.5304(5) 0.0251(13) Uani 1 1 d . . . . .
C51 C 0.7044(5) 0.6898(5) 0.5076(5) 0.0225(13) Uani 1 1 d . . . . .
C52 C 0.7104(5) 0.7676(5) 0.4424(5) 0.0291(15) Uani 1 1 d . . . . .
H52 H 0.776096 0.791385 0.426758 0.035 Uiso 1 1 calc R . . . .
C53 C 0.6228(6) 0.8097(6) 0.4007(6) 0.0381(18) Uani 1 1 d . . . . .
H53 H 0.629528 0.860811 0.357496 0.046 Uiso 1 1 calc R . . . .
C54 C 0.5223(6) 0.7748(7) 0.4240(6) 0.0372(19) Uani 1 1 d . . . . .
H54 H 0.462694 0.802833 0.395916 0.045 Uiso 1 1 calc R . . . .
C55 C 0.5127(6) 0.7007(6) 0.4872(6) 0.0329(16) Uani 1 1 d . . . . .
H55 H 0.446224 0.678729 0.502463 0.040 Uiso 1 1 calc R . . . .
C56 C 0.9558(6) 0.7302(6) 0.3106(5) 0.0282(17) Uani 1 1 d . . . . .
H56 H 0.947411 0.798043 0.340946 0.034 Uiso 1 1 calc R . . . .
C57 C 1.0589(6) 0.7094(6) 0.2941(6) 0.0312(17) Uani 1 1 d . . . . .
H57 H 1.109193 0.766007 0.315683 0.037 Uiso 1 1 calc R . . . .
C58 C 1.0967(7) 0.6393(7) 0.2144(6) 0.044(2) Uani 1 1 d . . . . .
H58A H 1.168765 0.624107 0.232702 0.053 Uiso 1 1 calc R . . . .
H58B H 1.095353 0.673223 0.153232 0.053 Uiso 1 1 calc R . . . .
C59 C 1.0290(7) 0.5396(7) 0.1975(6) 0.0422(19) Uani 1 1 d . . . . .
H59A H 0.968769 0.549688 0.151882 0.051 Uiso 1 1 calc R . . . .
H59B H 1.069677 0.488117 0.167144 0.051 Uiso 1 1 calc R . . . .
C60 C 0.9909(6) 0.5020(6) 0.2921(6) 0.0350(18) Uani 1 1 d . . . . .
H60 H 1.015604 0.435450 0.307240 0.042 Uiso 1 1 calc R . . . .
C61 C 0.8951(6) 0.5213(5) 0.3275(5) 0.0310(16) Uani 1 1 d . . . . .
H61 H 0.864529 0.465422 0.361520 0.037 Uiso 1 1 calc R . . . .
C62 C 0.8149(6) 0.5865(6) 0.2781(5) 0.0348(17) Uani 1 1 d . . . . .
H62A H 0.762668 0.601755 0.323926 0.042 Uiso 1 1 calc R . . . .
H62B H 0.779440 0.547900 0.221144 0.042 Uiso 1 1 calc R . . . .
C63 C 0.8612(6) 0.6863(5) 0.2445(5) 0.0325(16) Uani 1 1 d . . . . .
H63A H 0.881474 0.674904 0.177775 0.039 Uiso 1 1 calc R . . . .
H63B H 0.807345 0.735426 0.243108 0.039 Uiso 1 1 calc R . . . .
B19 B 1.1890(6) 0.6408(6) 0.4736(7) 0.0303(18) Uani 1 1 d . . . . .
H19A H 1.236928 0.660600 0.413360 0.036 Uiso 1 1 calc R . . . .
B20 B 1.1389(6) 0.5113(6) 0.4843(6) 0.0264(16) Uani 1 1 d . . . . .
H20 H 1.156469 0.448707 0.432209 0.032 Uiso 1 1 calc R . . . .
B21 B 1.0172(6) 0.5169(6) 0.5426(6) 0.0215(15) Uani 1 1 d . . . . .
H21 H 0.955821 0.455856 0.526866 0.026 Uiso 1 1 calc R . . . .
B22 B 1.0441(7) 0.5791(6) 0.6641(6) 0.0212(17) Uani 1 1 d . . . . .
H22A H 0.996408 0.559389 0.724516 0.025 Uiso 1 1 calc R . . . .
B23 B 1.0949(7) 0.7058(6) 0.6550(6) 0.0276(17) Uani 1 1 d . . . . .
H23 H 1.080344 0.768708 0.707970 0.033 Uiso 1 1 calc R . . . .
B24 B 1.2152(6) 0.6987(6) 0.5976(7) 0.0333(19) Uani 1 1 d . . . . .
H24A H 1.279184 0.757040 0.614650 0.040 Uiso 1 1 calc R . . . .
B25 B 1.2393(6) 0.5711(6) 0.5731(6) 0.0320(18) Uani 1 1 d . . . . .
H25 H 1.320104 0.546137 0.575952 0.038 Uiso 1 1 calc R . . . .
B26 B 1.1341(6) 0.4950(6) 0.6134(6) 0.0239(15) Uani 1 1 d . . . . .
H26A H 1.146323 0.420327 0.642192 0.029 Uiso 1 1 calc R . . . .
B27 B 1.1820(6) 0.6098(6) 0.6833(6) 0.0290(17) Uani 1 1 d . . . . .
H27A H 1.224530 0.609033 0.756746 0.035 Uiso 1 1 calc R . . . .
Rh4 Rh 0.51730(3) 0.88372(3) 0.89201(3) 0.01648(10) Uani 1 1 d . . . . .
C64 C 0.4200(5) 0.7744(5) 0.9577(5) 0.0191(13) Uani 1 1 d . . . . .
C65 C 0.5195(5) 0.8330(5) 1.0379(5) 0.0178(13) Uani 1 1 d . . . . .
C66 C 0.6169(5) 0.7943(5) 1.0103(4) 0.0195(13) Uani 1 1 d . . . . .
H66 H 0.611995 0.720939 0.994894 0.023 Uiso 1 1 calc R . . . .
C67 C 0.7235(5) 0.8324(5) 1.0474(5) 0.0205(13) Uani 1 1 d . . . . .
C68 C 0.7421(5) 0.9092(5) 1.1216(5) 0.0252(14) Uani 1 1 d . . . . .
H68 H 0.686093 0.935986 1.152044 0.030 Uiso 1 1 calc R . . . .
C69 C 0.8451(6) 0.9470(5) 1.1512(5) 0.0324(16) Uani 1 1 d . . . . .
H69 H 0.855893 0.999486 1.200109 0.039 Uiso 1 1 calc R . . . .
C70 C 0.9292(5) 0.9087(5) 1.1100(5) 0.0323(16) Uani 1 1 d . . . . .
H70 H 0.996302 0.935820 1.130171 0.039 Uiso 1 1 calc R . . . .
C71 C 0.9152(5) 0.8278(5) 1.0368(5) 0.0255(14) Uani 1 1 d . . . . .
C72 C 0.8119(5) 0.7863(5) 1.0056(4) 0.0214(12) Uani 1 1 d . . . . .
C73 C 0.8017(5) 0.7024(5) 0.9340(5) 0.0277(14) Uani 1 1 d . . . . .
H73 H 0.735449 0.673174 0.913356 0.033 Uiso 1 1 calc R . . . .
C74 C 0.8877(6) 0.6646(6) 0.8955(6) 0.0341(16) Uani 1 1 d . . . . .
H74 H 0.879085 0.609009 0.849803 0.041 Uiso 1 1 calc R . . . .
C75 C 0.9891(6) 0.7073(6) 0.9230(6) 0.0355(18) Uani 1 1 d . . . . .
H75 H 1.046653 0.682285 0.893802 0.043 Uiso 1 1 calc R . . . .
C76 C 1.0020(5) 0.7863(6) 0.9936(6) 0.0317(16) Uani 1 1 d . . . . .
H76 H 1.069238 0.813306 1.013614 0.038 Uiso 1 1 calc R . . . .
C77 C 0.5786(5) 0.7872(5) 0.7657(4) 0.0221(13) Uani 1 1 d . . . . .
H77 H 0.577769 0.714627 0.775917 0.026 Uiso 1 1 calc R . . . .
C78 C 0.4819(6) 0.8215(6) 0.7356(5) 0.0269(15) Uani 1 1 d . . . . .
H78 H 0.425702 0.768065 0.727515 0.032 Uiso 1 1 calc R . . . .
C79 C 0.4623(6) 0.9082(6) 0.6709(5) 0.0333(17) Uani 1 1 d . . . . .
H79A H 0.389739 0.925671 0.672995 0.040 Uiso 1 1 calc R . . . .
H79B H 0.472552 0.886124 0.603227 0.040 Uiso 1 1 calc R . . . .
C80 C 0.5337(6) 1.0029(6) 0.7015(5) 0.0345(17) Uani 1 1 d . . . . .
H80A H 0.498417 1.062079 0.680530 0.041 Uiso 1 1 calc R . . . .
H80B H 0.597279 0.998802 0.667503 0.041 Uiso 1 1 calc R . . . .
C81 C 0.5637(6) 1.0165(5) 0.8136(5) 0.0276(15) Uani 1 1 d . . . . .
H81 H 0.544880 1.081225 0.844480 0.033 Uiso 1 1 calc R . . . .
C82 C 0.6537(5) 0.9785(5) 0.8575(5) 0.0251(14) Uani 1 1 d . . . . .
H82 H 0.685572 1.021392 0.914327 0.030 Uiso 1 1 calc R . . . .
C83 C 0.7324(5) 0.9189(5) 0.8039(5) 0.0268(14) Uani 1 1 d . . . . .
H83A H 0.781699 0.892324 0.852338 0.032 Uiso 1 1 calc R . . . .
H83B H 0.771557 0.964408 0.765513 0.032 Uiso 1 1 calc R . . . .
C84 C 0.6819(5) 0.8303(5) 0.7345(5) 0.0283(15) Uani 1 1 d . . . . .
H84A H 0.670078 0.853475 0.668470 0.034 Uiso 1 1 calc R . . . .
H84B H 0.730697 0.776651 0.731548 0.034 Uiso 1 1 calc R . . . .
B28 B 0.3405(5) 0.8605(5) 0.9051(6) 0.0225(14) Uani 1 1 d . . . . .
H28A H 0.297221 0.851434 0.831650 0.027 Uiso 1 1 calc R . . . .
B29 B 0.3903(6) 0.9831(5) 0.9549(5) 0.0216(14) Uani 1 1 d . . . . .
H29 H 0.377698 1.051485 0.914571 0.026 Uiso 1 1 calc R . . . .
B30 B 0.5062(6) 0.9673(6) 1.0368(5) 0.0184(15) Uani 1 1 d . . . . .
H30 H 0.568167 1.028199 1.048702 0.022 Uiso 1 1 calc R . . . .
B31 B 0.4711(6) 0.8906(5) 1.1355(5) 0.0216(15) Uani 1 1 d . . . . .
H31A H 0.513957 0.900617 1.209064 0.026 Uiso 1 1 calc R . . . .
B32 B 0.4193(6) 0.7678(6) 1.0831(6) 0.0230(16) Uani 1 1 d . . . . .
H32A H 0.429741 0.697933 1.121573 0.028 Uiso 1 1 calc R . . . .
B33 B 0.3031(5) 0.7871(6) 1.0051(5) 0.0242(15) Uani 1 1 d . . . . .
H33A H 0.237590 0.729707 0.995045 0.029 Uiso 1 1 calc R . . . .
B34 B 0.2823(6) 0.9185(6) 1.0068(6) 0.0258(16) Uani 1 1 d . . . . .
H34A H 0.202802 0.946571 0.998910 0.031 Uiso 1 1 calc R . . . .
B35 B 0.3862(6) 0.9826(6) 1.0865(6) 0.0263(16) Uani 1 1 d . . . . .
H35A H 0.373408 1.052686 1.130626 0.032 Uiso 1 1 calc R . . . .
B36 B 0.3311(6) 0.8618(6) 1.1165(6) 0.0276(16) Uani 1 1 d . . . . .
H36A H 0.283037 0.853736 1.179263 0.033 Uiso 1 1 calc R . . . .
H64 H 0.436(4) 0.709(5) 0.931(4) 0.009(14) Uiso 1 1 d . . . . .
H22 H -0.044(5) 0.288(5) 0.587(5) 0.019(16) Uiso 1 1 d . . . . .
H43 H 1.087(5) 0.786(6) 0.511(5) 0.03(2) Uiso 1 1 d . . . . .


_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
Rh1 C1 2.160(6) . ?
Rh1 C2 2.131(6) . ?
Rh1 C3 2.407(6) . ?
Rh1 C14 2.287(6) . ?
Rh1 C15 2.255(6) . ?
Rh1 C18 2.195(7) . ?
Rh1 C19 2.186(6) . ?
Rh1 B1 2.292(7) . ?
Rh1 B2 2.307(7) . ?
Rh1 B3 2.200(7) . ?
C1 C2 1.695(9) . ?
C1 B1 1.719(10) . ?
C1 B5 1.703(10) . ?
C1 B6 1.684(9) . ?
C2 C3 1.417(9) . ?
C2 B3 1.816(10) . ?
C2 B4 1.700(10) . ?
C2 B5 1.700(9) . ?
C3 C4 1.472(8) . ?
C4 C5 1.390(8) . ?
C4 C9 1.444(8) . ?
C5 C6 1.409(9) . ?
C6 C7 1.348(10) . ?
C7 C8 1.425(9) . ?
C8 C9 1.416(9) . ?
C8 C13 1.419(9) . ?
C9 C10 1.430(9) . ?
C10 C11 1.358(9) . ?
C11 C12 1.416(11) . ?
C12 C13 1.346(11) . ?
C14 C15 1.384(10) . ?
C14 C21 1.519(9) . ?
C15 C16 1.503(10) . ?
C16 C17 1.554(11) . ?
C17 C18 1.534(10) . ?
C18 C19 1.379(10) . ?
C19 C20 1.516(9) . ?
C20 C21 1.533(9) . ?
B1 B2 1.800(10) . ?
B1 B6 1.801(11) . ?
B1 B7 1.761(10) . ?
B2 B3 1.791(11) . ?
B2 B7 1.800(11) . ?
B2 B8 1.787(11) . ?
B3 B4 1.798(11) . ?
B3 B8 1.762(10) . ?
B4 B5 1.817(11) . ?
B4 B8 1.789(11) . ?
B4 B9 1.792(11) . ?
B5 B6 1.777(11) . ?
B5 B9 1.779(10) . ?
B6 B7 1.773(11) . ?
B6 B9 1.761(11) . ?
B7 B8 1.764(11) . ?
B7 B9 1.781(11) . ?
B8 B9 1.789(11) . ?
Rh2 C22 2.156(7) . ?
Rh2 C23 2.122(7) . ?
Rh2 C24 2.411(6) . ?
Rh2 C35 2.198(6) . ?
Rh2 C36 2.170(6) . ?
Rh2 C39 2.277(6) . ?
Rh2 C40 2.254(7) . ?
Rh2 B10 2.275(8) . ?
Rh2 B11 2.324(7) . ?
Rh2 B12 2.194(8) . ?
C22 C23 1.728(10) . ?
C22 B10 1.722(10) . ?
C22 B14 1.710(11) . ?
C22 B15 1.685(10) . ?
C23 C24 1.434(9) . ?
C23 B12 1.803(11) . ?
C23 B13 1.681(10) . ?
C23 B14 1.712(11) . ?
C24 C25 1.467(9) . ?
C25 C26 1.399(9) . ?
C25 C30 1.435(9) . ?
C26 C27 1.414(11) . ?
C27 C28 1.355(12) . ?
C28 C29 1.402(10) . ?
C29 C30 1.429(9) . ?
C29 C34 1.415(10) . ?
C30 C31 1.410(9) . ?
C31 C32 1.374(9) . ?
C32 C33 1.404(10) . ?
C33 C34 1.357(11) . ?
C35 C36 1.383(10) . ?
C35 C42 1.508(11) . ?
C36 C37 1.527(9) . ?
C37 C38 1.527(10) . ?
C38 C39 1.516(9) . ?
C39 C40 1.378(10) . ?
C40 C41 1.510(10) . ?
C41 C42 1.517(12) . ?
B10 B11 1.789(11) . ?
B10 B15 1.805(11) . ?
B10 B16 1.790(12) . ?
B11 B12 1.806(11) . ?
B11 B16 1.776(11) . ?
B11 B17 1.785(11) . ?
B12 B13 1.817(11) . ?
B12 B17 1.746(11) . ?
B13 B14 1.790(12) . ?
B13 B17 1.772(11) . ?
B13 B18 1.760(11) . ?
B14 B15 1.801(12) . ?
B14 B18 1.773(11) . ?
B15 B16 1.769(13) . ?
B15 B18 1.786(13) . ?
B16 B17 1.780(12) . ?
B16 B18 1.804(12) . ?
B17 B18 1.792(12) . ?
Rh3 C43 2.157(7) . ?
Rh3 C44 2.127(7) . ?
Rh3 C45 2.421(6) . ?
Rh3 C56 2.290(7) . ?
Rh3 C57 2.249(7) . ?
Rh3 C60 2.211(7) . ?
Rh3 C61 2.193(6) . ?
Rh3 B19 2.289(8) . ?
Rh3 B20 2.314(8) . ?
Rh3 B21 2.201(7) . ?
C43 C44 1.692(9) . ?
C43 B19 1.735(11) . ?
C43 B23 1.701(10) . ?
C43 B24 1.681(10) . ?
C44 C45 1.431(9) . ?
C44 B21 1.785(10) . ?
C44 B22 1.678(9) . ?
C44 B23 1.716(10) . ?
C45 C46 1.456(9) . ?
C46 C47 1.394(9) . ?
C46 C51 1.454(9) . ?
C47 C48 1.403(10) . ?
C48 C49 1.352(10) . ?
C49 C50 1.422(9) . ?
C50 C51 1.431(8) . ?
C50 C55 1.416(10) . ?
C51 C52 1.405(9) . ?
C52 C53 1.374(10) . ?
C53 C54 1.414(11) . ?
C54 C55 1.352(12) . ?
C56 C57 1.394(10) . ?
C56 C63 1.519(10) . ?
C57 C58 1.509(11) . ?
C58 C59 1.540(12) . ?
C59 C60 1.517(11) . ?
C60 C61 1.382(11) . ?
C61 C62 1.516(10) . ?
C62 C63 1.535(10) . ?
B19 B20 1.822(11) . ?
B19 B24 1.809(13) . ?
B19 B25 1.782(11) . ?
B20 B21 1.808(10) . ?
B20 B25 1.811(12) . ?
B20 B26 1.790(10) . ?
B21 B22 1.801(11) . ?
B21 B26 1.760(11) . ?
B22 B23 1.786(11) . ?
B22 B26 1.790(10) . ?
B22 B27 1.788(12) . ?
B23 B24 1.787(12) . ?
B23 B27 1.771(11) . ?
B24 B25 1.749(12) . ?
B24 B27 1.771(11) . ?
B25 B26 1.786(11) . ?
B25 B27 1.780(12) . ?
B26 B27 1.798(11) . ?
Rh4 C64 2.149(6) . ?
Rh4 C65 2.134(6) . ?
Rh4 C66 2.382(6) . ?
Rh4 C77 2.290(6) . ?
Rh4 C78 2.238(7) . ?
Rh4 C81 2.197(6) . ?
Rh4 C82 2.202(6) . ?
Rh4 B28 2.293(7) . ?
Rh4 B29 2.324(7) . ?
Rh4 B30 2.218(7) . ?
C64 C65 1.730(9) . ?
C64 B28 1.716(10) . ?
C64 B32 1.716(10) . ?
C64 B33 1.689(9) . ?
C65 C66 1.440(9) . ?
C65 B30 1.796(10) . ?
C65 B31 1.668(9) . ?
C65 B32 1.691(10) . ?
C66 C67 1.471(8) . ?
C67 C68 1.387(9) . ?
C67 C72 1.450(9) . ?
C68 C69 1.407(9) . ?
C69 C70 1.358(10) . ?
C70 C71 1.411(10) . ?
C71 C72 1.431(8) . ?
C71 C76 1.416(10) . ?
C72 C73 1.426(9) . ?
C73 C74 1.361(9) . ?
C74 C75 1.405(10) . ?
C75 C76 1.372(11) . ?
C77 C78 1.380(9) . ?
C77 C84 1.519(9) . ?
C78 C79 1.508(10) . ?
C79 C80 1.534(11) . ?
C80 C81 1.541(10) . ?
C81 C82 1.385(9) . ?
C82 C83 1.515(9) . ?
C83 C84 1.543(9) . ?
B28 B29 1.789(10) . ?
B28 B33 1.804(10) . ?
B28 B34 1.775(10) . ?
B29 B30 1.811(11) . ?
B29 B34 1.807(10) . ?
B29 B35 1.797(10) . ?
B30 B31 1.807(10) . ?
B30 B35 1.743(11) . ?
B31 B32 1.809(10) . ?
B31 B35 1.795(11) . ?
B31 B36 1.810(11) . ?
B32 B33 1.795(11) . ?
B32 B36 1.784(11) . ?
B33 B34 1.773(11) . ?
B33 B36 1.762(11) . ?
B34 B35 1.794(11) . ?
B34 B36 1.794(11) . ?
B35 B36 1.802(11) . ?

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
C1 Rh1 C3 68.2(2) . . ?
C1 Rh1 C14 101.3(3) . . ?
C1 Rh1 C15 94.7(3) . . ?
C1 Rh1 C18 158.6(2) . . ?
C1 Rh1 C19 164.2(2) . . ?
C1 Rh1 B1 45.3(3) . . ?
C1 Rh1 B2 77.9(3) . . ?
C1 Rh1 B3 80.9(3) . . ?
C2 Rh1 C1 46.5(2) . . ?
C2 Rh1 C3 35.7(2) . . ?
C2 Rh1 C14 118.7(3) . . ?
C2 Rh1 C15 135.1(2) . . ?
C2 Rh1 C18 145.0(2) . . ?
C2 Rh1 C19 119.2(2) . . ?
C2 Rh1 B1 79.9(3) . . ?
C2 Rh1 B2 80.8(3) . . ?
C2 Rh1 B3 49.6(3) . . ?
C14 Rh1 C3 89.3(2) . . ?
C14 Rh1 B1 115.0(2) . . ?
C14 Rh1 B2 152.9(3) . . ?
C15 Rh1 C3 119.5(2) . . ?
C15 Rh1 C14 35.5(2) . . ?
C15 Rh1 B1 85.5(3) . . ?
C15 Rh1 B2 117.4(3) . . ?
C18 Rh1 C3 132.5(2) . . ?
C18 Rh1 C14 86.0(3) . . ?
C18 Rh1 C15 79.5(3) . . ?
C18 Rh1 B1 113.4(3) . . ?
C18 Rh1 B2 86.4(3) . . ?
C18 Rh1 B3 99.0(3) . . ?
C19 Rh1 C3 96.0(2) . . ?
C19 Rh1 C14 79.4(2) . . ?
C19 Rh1 C15 94.7(3) . . ?
C19 Rh1 C18 36.7(3) . . ?
C19 Rh1 B1 148.5(3) . . ?
C19 Rh1 B2 108.7(3) . . ?
C19 Rh1 B3 93.2(3) . . ?
B1 Rh1 C3 111.3(3) . . ?
B1 Rh1 B2 46.1(3) . . ?
B2 Rh1 C3 114.6(2) . . ?
B3 Rh1 C3 73.2(2) . . ?
B3 Rh1 C14 160.4(3) . . ?
B3 Rh1 C15 164.1(2) . . ?
B3 Rh1 B1 80.6(3) . . ?
B3 Rh1 B2 46.8(3) . . ?
C2 C1 Rh1 65.8(3) . . ?
C2 C1 B1 112.8(5) . . ?
C2 C1 B5 60.0(4) . . ?
B1 C1 Rh1 71.4(3) . . ?
B5 C1 Rh1 123.6(4) . . ?
B5 C1 B1 116.2(5) . . ?
B6 C1 Rh1 129.6(4) . . ?
B6 C1 C2 111.5(5) . . ?
B6 C1 B1 63.9(4) . . ?
B6 C1 B5 63.3(4) . . ?
C1 C2 Rh1 67.6(3) . . ?
C1 C2 B3 107.3(5) . . ?
C1 C2 B4 109.9(5) . . ?
C1 C2 B5 60.2(4) . . ?
C3 C2 Rh1 82.8(4) . . ?
C3 C2 C1 111.0(5) . . ?
C3 C2 B3 116.1(5) . . ?
C3 C2 B4 137.2(5) . . ?
C3 C2 B5 129.2(5) . . ?
B3 C2 Rh1 67.2(3) . . ?
B4 C2 Rh1 124.9(4) . . ?
B4 C2 B3 61.4(4) . . ?
B4 C2 B5 64.6(4) . . ?
B5 C2 Rh1 125.5(4) . . ?
B5 C2 B3 113.8(5) . . ?
C2 C3 Rh1 61.5(3) . . ?
C2 C3 C4 128.4(5) . . ?
C4 C3 Rh1 125.6(4) . . ?
C5 C4 C3 121.7(5) . . ?
C5 C4 C9 118.6(5) . . ?
C9 C4 C3 119.5(5) . . ?
C4 C5 C6 120.6(6) . . ?
C7 C6 C5 121.4(6) . . ?
C6 C7 C8 120.7(6) . . ?
C9 C8 C7 119.0(6) . . ?
C9 C8 C13 119.9(6) . . ?
C13 C8 C7 121.1(6) . . ?
C8 C9 C4 119.6(6) . . ?
C8 C9 C10 117.5(6) . . ?
C10 C9 C4 122.8(6) . . ?
C11 C10 C9 120.5(6) . . ?
C10 C11 C12 121.4(7) . . ?
C13 C12 C11 119.4(7) . . ?
C12 C13 C8 121.2(7) . . ?
C15 C14 Rh1 71.0(4) . . ?
C15 C14 C21 125.5(7) . . ?
C21 C14 Rh1 111.4(4) . . ?
C14 C15 Rh1 73.5(4) . . ?
C14 C15 C16 127.8(7) . . ?
C16 C15 Rh1 107.6(5) . . ?
C15 C16 C17 112.4(6) . . ?
C18 C17 C16 111.9(6) . . ?
C17 C18 Rh1 113.5(5) . . ?
C19 C18 Rh1 71.3(4) . . ?
C19 C18 C17 124.9(6) . . ?
C18 C19 Rh1 72.0(4) . . ?
C18 C19 C20 124.9(6) . . ?
C20 C19 Rh1 110.7(4) . . ?
C19 C20 C21 114.0(6) . . ?
C14 C21 C20 113.7(5) . . ?
C1 B1 Rh1 63.3(3) . . ?
C1 B1 B2 106.0(5) . . ?
C1 B1 B6 57.1(4) . . ?
C1 B1 B7 103.4(5) . . ?
B2 B1 Rh1 67.4(3) . . ?
B2 B1 B6 108.9(5) . . ?
B6 B1 Rh1 116.2(4) . . ?
B7 B1 Rh1 119.6(4) . . ?
B7 B1 B2 60.7(4) . . ?
B7 B1 B6 59.7(4) . . ?
B1 B2 Rh1 66.5(3) . . ?
B3 B2 Rh1 63.5(3) . . ?
B3 B2 B1 108.0(5) . . ?
B3 B2 B7 106.4(5) . . ?
B7 B2 Rh1 117.1(4) . . ?
B7 B2 B1 58.6(4) . . ?
B8 B2 Rh1 115.3(4) . . ?
B8 B2 B1 105.8(5) . . ?
B8 B2 B3 59.0(4) . . ?
B8 B2 B7 58.9(4) . . ?
C2 B3 Rh1 63.2(3) . . ?
B2 B3 Rh1 69.8(4) . . ?
B2 B3 C2 105.8(5) . . ?
B2 B3 B4 109.0(5) . . ?
B4 B3 Rh1 116.3(5) . . ?
B4 B3 C2 56.1(4) . . ?
B8 B3 Rh1 121.9(5) . . ?
B8 B3 C2 102.9(5) . . ?
B8 B3 B2 60.4(4) . . ?
B8 B3 B4 60.3(4) . . ?
C2 B4 B3 62.5(4) . . ?
C2 B4 B5 57.7(4) . . ?
C2 B4 B8 106.6(5) . . ?
C2 B4 B9 104.5(6) . . ?
B3 B4 B5 109.2(6) . . ?
B8 B4 B3 58.8(4) . . ?
B8 B4 B5 107.1(5) . . ?
B8 B4 B9 59.9(4) . . ?
B9 B4 B3 107.6(5) . . ?
B9 B4 B5 59.0(4) . . ?
C1 B5 B4 104.3(5) . . ?
C1 B5 B6 57.8(4) . . ?
C1 B5 B9 103.3(5) . . ?
C2 B5 C1 59.7(4) . . ?
C2 B5 B4 57.7(4) . . ?
C2 B5 B6 106.8(5) . . ?
C2 B5 B9 105.1(5) . . ?
B6 B5 B4 107.2(5) . . ?
B6 B5 B9 59.3(4) . . ?
B9 B5 B4 59.8(4) . . ?
C1 B6 B1 59.0(4) . . ?
C1 B6 B5 58.9(4) . . ?
C1 B6 B7 104.4(5) . . ?
C1 B6 B9 104.9(5) . . ?
B5 B6 B1 108.6(5) . . ?
B7 B6 B1 59.0(4) . . ?
B7 B6 B5 108.7(5) . . ?
B9 B6 B1 107.8(5) . . ?
B9 B6 B5 60.4(4) . . ?
B9 B6 B7 60.5(4) . . ?
B1 B7 B2 60.7(4) . . ?
B1 B7 B6 61.3(4) . . ?
B1 B7 B8 108.5(5) . . ?
B1 B7 B9 108.7(5) . . ?
B6 B7 B2 110.1(5) . . ?
B6 B7 B9 59.4(4) . . ?
B8 B7 B2 60.2(4) . . ?
B8 B7 B6 108.4(5) . . ?
B8 B7 B9 60.6(4) . . ?
B9 B7 B2 109.4(5) . . ?
B2 B8 B4 109.6(5) . . ?
B2 B8 B9 109.6(5) . . ?
B3 B8 B2 60.6(4) . . ?
B3 B8 B4 60.8(4) . . ?
B3 B8 B7 109.3(5) . . ?
B3 B8 B9 109.4(5) . . ?
B7 B8 B2 60.9(4) . . ?
B7 B8 B4 108.5(5) . . ?
B7 B8 B9 60.2(4) . . ?
B9 B8 B4 60.1(4) . . ?
B5 B9 B4 61.2(4) . . ?
B5 B9 B7 108.3(5) . . ?
B5 B9 B8 108.8(5) . . ?
B6 B9 B4 109.0(5) . . ?
B6 B9 B5 60.3(4) . . ?
B6 B9 B7 60.1(4) . . ?
B6 B9 B8 107.9(5) . . ?
B7 B9 B4 107.6(5) . . ?
B7 B9 B8 59.2(4) . . ?
B8 B9 B4 59.9(4) . . ?
C22 Rh2 C24 68.9(2) . . ?
C22 Rh2 C35 159.9(3) . . ?
C22 Rh2 C36 162.6(3) . . ?
C22 Rh2 C39 101.1(3) . . ?
C22 Rh2 C40 96.1(3) . . ?
C22 Rh2 B10 45.6(3) . . ?
C22 Rh2 B11 77.8(3) . . ?
C22 Rh2 B12 81.7(3) . . ?
C23 Rh2 C22 47.7(3) . . ?
C23 Rh2 C24 36.2(2) . . ?
C23 Rh2 C35 142.5(3) . . ?
C23 Rh2 C36 116.9(3) . . ?
C23 Rh2 C39 120.0(3) . . ?
C23 Rh2 C40 138.0(3) . . ?
C23 Rh2 B10 81.1(3) . . ?
C23 Rh2 B11 80.7(3) . . ?
C23 Rh2 B12 49.3(3) . . ?
C35 Rh2 C24 130.4(3) . . ?
C35 Rh2 C39 86.2(3) . . ?
C35 Rh2 C40 79.0(3) . . ?
C35 Rh2 B10 114.2(3) . . ?
C35 Rh2 B11 86.8(3) . . ?
C36 Rh2 C24 93.8(3) . . ?
C36 Rh2 C35 36.9(3) . . ?
C36 Rh2 C39 79.4(2) . . ?
C36 Rh2 C40 94.1(3) . . ?
C36 Rh2 B10 149.8(3) . . ?
C36 Rh2 B11 110.1(3) . . ?
C36 Rh2 B12 92.5(3) . . ?
C39 Rh2 C24 90.0(2) . . ?
C39 Rh2 B11 151.4(3) . . ?
C40 Rh2 C24 121.1(2) . . ?
C40 Rh2 C39 35.4(2) . . ?
C40 Rh2 B10 85.2(3) . . ?
C40 Rh2 B11 116.0(3) . . ?
B10 Rh2 C24 112.4(2) . . ?
B10 Rh2 C39 113.9(3) . . ?
B10 Rh2 B11 45.8(3) . . ?
B11 Rh2 C24 115.3(2) . . ?
B12 Rh2 C24 73.9(3) . . ?
B12 Rh2 C35 97.3(3) . . ?
B12 Rh2 C39 161.5(3) . . ?
B12 Rh2 C40 163.0(3) . . ?
B12 Rh2 B10 81.2(3) . . ?
B12 Rh2 B11 47.0(3) . . ?
C23 C22 Rh2 65.1(3) . . ?
B10 C22 Rh2 70.8(3) . . ?
B10 C22 C23 111.9(5) . . ?
B14 C22 Rh2 122.7(5) . . ?
B14 C22 C23 59.7(4) . . ?
B14 C22 B10 116.7(6) . . ?
B15 C22 Rh2 128.9(5) . . ?
B15 C22 C23 111.2(6) . . ?
B15 C22 B10 64.0(5) . . ?
B15 C22 B14 64.1(5) . . ?
C22 C23 Rh2 67.2(3) . . ?
C22 C23 B12 107.3(5) . . ?
C24 C23 Rh2 83.0(4) . . ?
C24 C23 C22 109.6(6) . . ?
C24 C23 B12 117.4(6) . . ?
C24 C23 B13 138.8(6) . . ?
C24 C23 B14 127.9(6) . . ?
B12 C23 Rh2 67.4(3) . . ?
B13 C23 Rh2 125.9(4) . . ?
B13 C23 C22 108.9(5) . . ?
B13 C23 B12 62.8(4) . . ?
B13 C23 B14 63.7(5) . . ?
B14 C23 Rh2 124.6(5) . . ?
B14 C23 C22 59.6(4) . . ?
B14 C23 B12 114.2(5) . . ?
C23 C24 Rh2 60.9(3) . . ?
C23 C24 C25 126.0(6) . . ?
C25 C24 Rh2 123.3(4) . . ?
C26 C25 C24 122.5(6) . . ?
C26 C25 C30 118.2(6) . . ?
C30 C25 C24 119.2(6) . . ?
C25 C26 C27 121.2(7) . . ?
C28 C27 C26 120.6(7) . . ?
C27 C28 C29 120.8(7) . . ?
C28 C29 C30 120.0(6) . . ?
C28 C29 C34 121.1(6) . . ?
C34 C29 C30 118.9(6) . . ?
C29 C30 C25 119.2(6) . . ?
C31 C30 C25 123.3(6) . . ?
C31 C30 C29 117.5(6) . . ?
C32 C31 C30 121.7(6) . . ?
C31 C32 C33 120.7(7) . . ?
C34 C33 C32 119.0(7) . . ?
C33 C34 C29 122.3(6) . . ?
C36 C35 Rh2 70.4(4) . . ?
C36 C35 C42 124.1(7) . . ?
C42 C35 Rh2 113.7(5) . . ?
C35 C36 Rh2 72.7(4) . . ?
C35 C36 C37 124.6(6) . . ?
C37 C36 Rh2 111.4(4) . . ?
C36 C37 C38 113.6(6) . . ?
C39 C38 C37 114.0(5) . . ?
C38 C39 Rh2 111.7(4) . . ?
C40 C39 Rh2 71.4(4) . . ?
C40 C39 C38 124.9(6) . . ?
C39 C40 Rh2 73.2(4) . . ?
C39 C40 C41 126.2(7) . . ?
C41 C40 Rh2 108.3(5) . . ?
C40 C41 C42 113.2(6) . . ?
C35 C42 C41 113.6(6) . . ?
C22 B10 Rh2 63.5(3) . . ?
C22 B10 B11 106.6(5) . . ?
C22 B10 B15 57.0(4) . . ?
C22 B10 B16 102.8(5) . . ?
B11 B10 Rh2 68.6(3) . . ?
B11 B10 B15 107.6(6) . . ?
B11 B10 B16 59.5(4) . . ?
B15 B10 Rh2 116.1(5) . . ?
B16 B10 Rh2 119.2(5) . . ?
B16 B10 B15 58.9(5) . . ?
B10 B11 Rh2 65.7(3) . . ?
B10 B11 B12 108.0(5) . . ?
B12 B11 Rh2 62.7(3) . . ?
B16 B11 Rh2 117.4(5) . . ?
B16 B11 B10 60.3(4) . . ?
B16 B11 B12 107.1(5) . . ?
B16 B11 B17 60.0(5) . . ?
B17 B11 Rh2 113.8(4) . . ?
B17 B11 B10 107.5(5) . . ?
B17 B11 B12 58.2(4) . . ?
C23 B12 Rh2 63.2(3) . . ?
C23 B12 B11 106.0(5) . . ?
C23 B12 B13 55.3(4) . . ?
B11 B12 Rh2 70.3(4) . . ?
B11 B12 B13 107.6(6) . . ?
B13 B12 Rh2 115.2(5) . . ?
B17 B12 Rh2 122.2(5) . . ?
B17 B12 C23 102.7(5) . . ?
B17 B12 B11 60.3(4) . . ?
B17 B12 B13 59.6(4) . . ?
C23 B13 B12 61.9(4) . . ?
C23 B13 B14 59.0(4) . . ?
C23 B13 B17 106.7(5) . . ?
C23 B13 B18 106.6(6) . . ?
B14 B13 B12 109.8(6) . . ?
B17 B13 B12 58.2(4) . . ?
B17 B13 B14 108.5(6) . . ?
B18 B13 B12 108.4(6) . . ?
B18 B13 B14 59.9(5) . . ?
B18 B13 B17 61.0(5) . . ?
C22 B14 C23 60.7(4) . . ?
C22 B14 B13 104.8(5) . . ?
C22 B14 B15 57.3(4) . . ?
C22 B14 B18 103.9(6) . . ?
C23 B14 B13 57.3(4) . . ?
C23 B14 B15 106.6(5) . . ?
C23 B14 B18 104.7(6) . . ?
B13 B14 B15 106.8(6) . . ?
B18 B14 B13 59.2(5) . . ?
B18 B14 B15 59.9(5) . . ?
C22 B15 B10 59.0(4) . . ?
C22 B15 B14 58.6(4) . . ?
C22 B15 B16 105.2(6) . . ?
C22 B15 B18 104.4(6) . . ?
B14 B15 B10 108.3(5) . . ?
B16 B15 B10 60.1(5) . . ?
B16 B15 B14 108.4(6) . . ?
B16 B15 B18 61.0(5) . . ?
B18 B15 B10 108.6(6) . . ?
B18 B15 B14 59.3(5) . . ?
B10 B16 B18 108.5(5) . . ?
B11 B16 B10 60.2(4) . . ?
B11 B16 B17 60.3(4) . . ?
B11 B16 B18 109.2(6) . . ?
B15 B16 B10 60.9(5) . . ?
B15 B16 B11 109.8(6) . . ?
B15 B16 B17 108.1(6) . . ?
B15 B16 B18 60.0(5) . . ?
B17 B16 B10 107.7(6) . . ?
B17 B16 B18 60.0(5) . . ?
B11 B17 B18 109.3(6) . . ?
B12 B17 B11 61.5(4) . . ?
B12 B17 B13 62.2(4) . . ?
B12 B17 B16 109.6(6) . . ?
B12 B17 B18 110.1(5) . . ?
B13 B17 B11 110.5(5) . . ?
B13 B17 B16 108.2(6) . . ?
B13 B17 B18 59.2(4) . . ?
B16 B17 B11 59.7(4) . . ?
B16 B17 B18 60.6(5) . . ?
B13 B18 B14 60.9(4) . . ?
B13 B18 B15 108.8(6) . . ?
B13 B18 B16 107.7(6) . . ?
B13 B18 B17 59.9(4) . . ?
B14 B18 B15 60.8(5) . . ?
B14 B18 B16 108.1(6) . . ?
B14 B18 B17 108.3(5) . . ?
B15 B18 B16 59.0(5) . . ?
B15 B18 B17 106.8(6) . . ?
B17 B18 B16 59.3(5) . . ?
C43 Rh3 C45 68.5(2) . . ?
C43 Rh3 C56 101.0(3) . . ?
C43 Rh3 C57 94.3(3) . . ?
C43 Rh3 C60 157.6(3) . . ?
C43 Rh3 C61 165.4(3) . . ?
C43 Rh3 B19 45.8(3) . . ?
C43 Rh3 B20 77.9(3) . . ?
C43 Rh3 B21 80.4(3) . . ?
C44 Rh3 C43 46.5(3) . . ?
C44 Rh3 C45 35.9(2) . . ?
C44 Rh3 C56 118.1(3) . . ?
C44 Rh3 C57 134.5(3) . . ?
C44 Rh3 C60 146.1(3) . . ?
C44 Rh3 C61 120.2(3) . . ?
C44 Rh3 B19 80.8(3) . . ?
C44 Rh3 B20 80.5(3) . . ?
C44 Rh3 B21 48.7(3) . . ?
C56 Rh3 C45 88.7(2) . . ?
C56 Rh3 B20 153.8(3) . . ?
C57 Rh3 C45 119.1(2) . . ?
C57 Rh3 C56 35.8(3) . . ?
C57 Rh3 B19 84.6(3) . . ?
C57 Rh3 B20 118.1(3) . . ?
C60 Rh3 C45 133.3(3) . . ?
C60 Rh3 C56 86.2(3) . . ?
C60 Rh3 C57 79.1(3) . . ?
C60 Rh3 B19 111.9(3) . . ?
C60 Rh3 B20 86.3(3) . . ?
C61 Rh3 C45 96.9(2) . . ?
C61 Rh3 C56 79.5(3) . . ?
C61 Rh3 C57 94.4(3) . . ?
C61 Rh3 C60 36.6(3) . . ?
C61 Rh3 B19 147.1(3) . . ?
C61 Rh3 B20 108.1(3) . . ?
C61 Rh3 B21 93.9(3) . . ?
B19 Rh3 C45 112.4(3) . . ?
B19 Rh3 C56 114.6(3) . . ?
B19 Rh3 B20 46.6(3) . . ?
B20 Rh3 C45 114.4(2) . . ?
B21 Rh3 C45 72.3(2) . . ?
B21 Rh3 C56 159.1(3) . . ?
B21 Rh3 C57 164.9(3) . . ?
B21 Rh3 C60 100.5(3) . . ?
B21 Rh3 B19 81.6(3) . . ?
B21 Rh3 B20 47.1(3) . . ?
C44 C43 Rh3 65.8(3) . . ?
C44 C43 B19 113.4(5) . . ?
C44 C43 B23 60.7(4) . . ?
B19 C43 Rh3 71.1(4) . . ?
B23 C43 Rh3 124.3(4) . . ?
B23 C43 B19 117.2(5) . . ?
B24 C43 Rh3 129.4(5) . . ?
B24 C43 C44 112.2(5) . . ?
B24 C43 B19 63.9(5) . . ?
B24 C43 B23 63.8(5) . . ?
C43 C44 Rh3 67.7(3) . . ?
C43 C44 B21 108.0(5) . . ?
C43 C44 B23 59.9(4) . . ?
C45 C44 Rh3 83.3(4) . . ?
C45 C44 C43 111.6(5) . . ?
C45 C44 B21 115.8(5) . . ?
C45 C44 B22 136.6(6) . . ?
C45 C44 B23 129.1(6) . . ?
B21 C44 Rh3 67.8(3) . . ?
B22 C44 Rh3 126.2(4) . . ?
B22 C44 C43 109.2(5) . . ?
B22 C44 B21 62.6(4) . . ?
B22 C44 B23 63.5(5) . . ?
B23 C44 Rh3 125.3(5) . . ?
B23 C44 B21 114.1(5) . . ?
C44 C45 Rh3 60.8(3) . . ?
C44 C45 C46 127.9(6) . . ?
C46 C45 Rh3 125.6(4) . . ?
C47 C46 C45 122.2(6) . . ?
C47 C46 C51 117.4(6) . . ?
C51 C46 C45 120.1(5) . . ?
C46 C47 C48 121.4(7) . . ?
C49 C48 C47 122.0(6) . . ?
C48 C49 C50 120.0(6) . . ?
C49 C50 C51 119.2(6) . . ?
C55 C50 C49 121.3(6) . . ?
C55 C50 C51 119.6(6) . . ?
C50 C51 C46 119.8(6) . . ?
C52 C51 C46 123.1(6) . . ?
C52 C51 C50 117.1(6) . . ?
C53 C52 C51 122.4(6) . . ?
C52 C53 C54 119.5(7) . . ?
C55 C54 C53 120.1(7) . . ?
C54 C55 C50 121.2(7) . . ?
C57 C56 Rh3 70.5(4) . . ?
C57 C56 C63 123.5(7) . . ?
C63 C56 Rh3 111.4(4) . . ?
C56 C57 Rh3 73.7(4) . . ?
C56 C57 C58 128.0(8) . . ?
C58 C57 Rh3 108.1(5) . . ?
C57 C58 C59 112.2(6) . . ?
C60 C59 C58 113.0(6) . . ?
C59 C60 Rh3 113.2(5) . . ?
C61 C60 Rh3 71.0(4) . . ?
C61 C60 C59 125.3(7) . . ?
C60 C61 Rh3 72.4(4) . . ?
C60 C61 C62 124.2(7) . . ?
C62 C61 Rh3 110.5(5) . . ?
C61 C62 C63 114.2(6) . . ?
C56 C63 C62 113.5(5) . . ?
C43 B19 Rh3 63.1(3) . . ?
C43 B19 B20 104.6(5) . . ?
C43 B19 B24 56.6(4) . . ?
C43 B19 B25 101.2(6) . . ?
B20 B19 Rh3 67.4(3) . . ?
B24 B19 Rh3 115.5(5) . . ?
B24 B19 B20 107.3(6) . . ?
B25 B19 Rh3 118.7(5) . . ?
B25 B19 B20 60.3(4) . . ?
B25 B19 B24 58.3(5) . . ?
B19 B20 Rh3 66.0(3) . . ?
B21 B20 Rh3 63.2(3) . . ?
B21 B20 B19 107.8(5) . . ?
B21 B20 B25 106.0(5) . . ?
B25 B20 Rh3 116.2(5) . . ?
B25 B20 B19 58.7(4) . . ?
B26 B20 Rh3 114.7(4) . . ?
B26 B20 B19 106.7(6) . . ?
B26 B20 B21 58.6(4) . . ?
B26 B20 B25 59.5(4) . . ?
C44 B21 Rh3 63.5(3) . . ?
C44 B21 B20 106.2(5) . . ?
C44 B21 B22 55.8(4) . . ?
B20 B21 Rh3 69.7(3) . . ?
B22 B21 Rh3 116.0(5) . . ?
B22 B21 B20 108.6(6) . . ?
B26 B21 Rh3 121.7(5) . . ?
B26 B21 C44 103.1(5) . . ?
B26 B21 B20 60.2(4) . . ?
B26 B21 B22 60.3(4) . . ?
C44 B22 B21 61.6(4) . . ?
C44 B22 B23 59.3(4) . . ?
C44 B22 B26 106.4(5) . . ?
C44 B22 B27 105.9(5) . . ?
B23 B22 B21 110.0(5) . . ?
B23 B22 B26 107.9(6) . . ?
B23 B22 B27 59.4(5) . . ?
B26 B22 B21 58.7(4) . . ?
B27 B22 B21 108.1(5) . . ?
B27 B22 B26 60.3(4) . . ?
C43 B23 C44 59.4(4) . . ?
C43 B23 B22 103.9(5) . . ?
C43 B23 B24 57.5(4) . . ?
C43 B23 B27 103.5(5) . . ?
C44 B23 B22 57.2(4) . . ?
C44 B23 B24 106.1(6) . . ?
C44 B23 B27 105.0(5) . . ?
B22 B23 B24 107.5(5) . . ?
B27 B23 B22 60.3(4) . . ?
B27 B23 B24 59.7(5) . . ?
C43 B24 B19 59.5(4) . . ?
C43 B24 B23 58.7(4) . . ?
C43 B24 B25 104.8(6) . . ?
C43 B24 B27 104.4(5) . . ?
B23 B24 B19 109.3(5) . . ?
B25 B24 B19 60.1(5) . . ?
B25 B24 B23 108.6(6) . . ?
B25 B24 B27 60.8(5) . . ?
B27 B24 B19 109.2(6) . . ?
B27 B24 B23 59.7(5) . . ?
B19 B25 B20 60.9(4) . . ?
B19 B25 B26 108.6(5) . . ?
B24 B25 B19 61.6(5) . . ?
B24 B25 B20 110.5(5) . . ?
B24 B25 B26 108.7(6) . . ?
B24 B25 B27 60.2(5) . . ?
B26 B25 B20 59.7(4) . . ?
B27 B25 B19 110.0(6) . . ?
B27 B25 B20 109.5(5) . . ?
B27 B25 B26 60.6(4) . . ?
B20 B26 B22 109.9(5) . . ?
B20 B26 B27 109.7(5) . . ?
B21 B26 B20 61.2(4) . . ?
B21 B26 B22 61.0(4) . . ?
B21 B26 B25 109.2(5) . . ?
B21 B26 B27 109.5(5) . . ?
B22 B26 B27 59.8(5) . . ?
B25 B26 B20 60.9(4) . . ?
B25 B26 B22 107.4(5) . . ?
B25 B26 B27 59.5(5) . . ?
B22 B27 B26 59.9(4) . . ?
B23 B27 B22 60.2(4) . . ?
B23 B27 B25 107.9(5) . . ?
B23 B27 B26 108.2(5) . . ?
B24 B27 B22 108.1(5) . . ?
B24 B27 B23 60.6(4) . . ?
B24 B27 B25 59.0(5) . . ?
B24 B27 B26 107.2(5) . . ?
B25 B27 B22 107.7(5) . . ?
B25 B27 B26 59.9(4) . . ?
C64 Rh4 C66 68.6(2) . . ?
C64 Rh4 C77 101.7(2) . . ?
C64 Rh4 C78 96.6(3) . . ?
C64 Rh4 C81 160.2(2) . . ?
C64 Rh4 C82 162.3(2) . . ?
C64 Rh4 B28 45.3(3) . . ?
C64 Rh4 B29 77.8(2) . . ?
C64 Rh4 B30 81.4(3) . . ?
C65 Rh4 C64 47.6(2) . . ?
C65 Rh4 C66 36.7(2) . . ?
C65 Rh4 C77 121.3(2) . . ?
C65 Rh4 C78 139.1(3) . . ?
C65 Rh4 C81 140.6(3) . . ?
C65 Rh4 C82 116.9(2) . . ?
C65 Rh4 B28 80.2(3) . . ?
C65 Rh4 B29 80.1(2) . . ?
C65 Rh4 B30 48.7(3) . . ?
C77 Rh4 C66 90.6(2) . . ?
C77 Rh4 B28 114.3(2) . . ?
C77 Rh4 B29 150.9(2) . . ?
C78 Rh4 C66 121.7(2) . . ?
C78 Rh4 C77 35.5(2) . . ?
C78 Rh4 B28 85.6(3) . . ?
C78 Rh4 B29 115.5(3) . . ?
C81 Rh4 C66 129.7(2) . . ?
C81 Rh4 C77 86.9(2) . . ?
C81 Rh4 C78 80.0(3) . . ?
C81 Rh4 C82 36.7(2) . . ?
C81 Rh4 B28 114.9(3) . . ?
C81 Rh4 B29 86.1(3) . . ?
C81 Rh4 B30 96.0(3) . . ?
C82 Rh4 C66 93.7(2) . . ?
C82 Rh4 C77 78.6(2) . . ?
C82 Rh4 C78 93.6(3) . . ?
C82 Rh4 B28 150.6(3) . . ?
C82 Rh4 B29 110.7(2) . . ?
C82 Rh4 B30 93.2(3) . . ?
B28 Rh4 C66 111.8(2) . . ?
B28 Rh4 B29 45.6(2) . . ?
B29 Rh4 C66 115.4(2) . . ?
B30 Rh4 C66 74.0(2) . . ?
B30 Rh4 C77 162.1(2) . . ?
B30 Rh4 C78 162.4(2) . . ?
B30 Rh4 B28 80.5(3) . . ?
B30 Rh4 B29 46.9(3) . . ?
C65 C64 Rh4 65.7(3) . . ?
B28 C64 Rh4 71.8(3) . . ?
B28 C64 C65 111.8(5) . . ?
B32 C64 Rh4 122.7(4) . . ?
B32 C64 C65 58.8(4) . . ?
B32 C64 B28 116.3(5) . . ?
B33 C64 Rh4 129.9(4) . . ?
B33 C64 C65 110.1(5) . . ?
B33 C64 B28 64.0(4) . . ?
B33 C64 B32 63.6(4) . . ?
C64 C65 Rh4 66.6(3) . . ?
C64 C65 B30 107.7(5) . . ?
C66 C65 Rh4 81.1(4) . . ?
C66 C65 C64 107.5(5) . . ?
C66 C65 B30 117.4(5) . . ?
C66 C65 B31 139.1(6) . . ?
C66 C65 B32 127.1(5) . . ?
B30 C65 Rh4 68.1(3) . . ?
B31 C65 Rh4 127.1(4) . . ?
B31 C65 C64 111.0(5) . . ?
B31 C65 B30 62.7(4) . . ?
B31 C65 B32 65.1(4) . . ?
B32 C65 Rh4 124.9(4) . . ?
B32 C65 C64 60.2(4) . . ?
B32 C65 B30 115.1(5) . . ?
C65 C66 Rh4 62.2(3) . . ?
C65 C66 C67 127.1(6) . . ?
C67 C66 Rh4 120.2(4) . . ?
C68 C67 C66 122.4(6) . . ?
C68 C67 C72 119.2(6) . . ?
C72 C67 C66 118.4(5) . . ?
C67 C68 C69 120.4(6) . . ?
C70 C69 C68 121.6(6) . . ?
C69 C70 C71 120.4(6) . . ?
C70 C71 C72 119.7(6) . . ?
C70 C71 C76 121.2(6) . . ?
C76 C71 C72 119.1(6) . . ?
C71 C72 C67 118.4(6) . . ?
C73 C72 C67 123.7(5) . . ?
C73 C72 C71 117.9(6) . . ?
C74 C73 C72 120.8(6) . . ?
C73 C74 C75 121.7(7) . . ?
C76 C75 C74 119.0(7) . . ?
C75 C76 C71 121.5(6) . . ?
C78 C77 Rh4 70.2(4) . . ?
C78 C77 C84 124.0(6) . . ?
C84 C77 Rh4 112.6(4) . . ?
C77 C78 Rh4 74.3(4) . . ?
C77 C78 C79 126.1(7) . . ?
C79 C78 Rh4 108.8(5) . . ?
C78 C79 C80 113.5(6) . . ?
C79 C80 C81 113.2(6) . . ?
C80 C81 Rh4 112.9(5) . . ?
C82 C81 Rh4 71.9(4) . . ?
C82 C81 C80 122.4(6) . . ?
C81 C82 Rh4 71.4(4) . . ?
C81 C82 C83 125.4(6) . . ?
C83 C82 Rh4 112.8(4) . . ?
C82 C83 C84 113.6(5) . . ?
C77 C84 C83 114.0(5) . . ?
C64 B28 Rh4 62.9(3) . . ?
C64 B28 B29 106.6(5) . . ?
C64 B28 B33 57.3(4) . . ?
C64 B28 B34 103.8(5) . . ?
B29 B28 Rh4 68.1(3) . . ?
B29 B28 B33 108.7(5) . . ?
B33 B28 Rh4 115.9(4) . . ?
B34 B28 Rh4 120.2(4) . . ?
B34 B28 B29 60.9(4) . . ?
B34 B28 B33 59.4(4) . . ?
B28 B29 Rh4 66.3(3) . . ?
B28 B29 B30 108.2(5) . . ?
B28 B29 B34 59.2(4) . . ?
B28 B29 B35 106.4(5) . . ?
B30 B29 Rh4 63.5(3) . . ?
B34 B29 Rh4 117.2(4) . . ?
B34 B29 B30 106.5(5) . . ?
B35 B29 Rh4 114.1(4) . . ?
B35 B29 B30 57.8(4) . . ?
B35 B29 B34 59.7(4) . . ?
C65 B30 Rh4 63.2(3) . . ?
C65 B30 B29 105.6(5) . . ?
C65 B30 B31 55.2(4) . . ?
B29 B30 Rh4 69.6(3) . . ?
B31 B30 Rh4 115.4(4) . . ?
B31 B30 B29 109.2(5) . . ?
B35 B30 Rh4 121.8(5) . . ?
B35 B30 C65 102.5(5) . . ?
B35 B30 B29 60.7(4) . . ?
B35 B30 B31 60.7(4) . . ?
C65 B31 B30 62.1(4) . . ?
C65 B31 B32 58.0(4) . . ?
C65 B31 B35 105.6(5) . . ?
C65 B31 B36 104.5(5) . . ?
B30 B31 B32 109.0(5) . . ?
B30 B31 B36 106.9(5) . . ?
B32 B31 B36 59.1(4) . . ?
B35 B31 B30 57.9(4) . . ?
B35 B31 B32 106.9(5) . . ?
B35 B31 B36 60.0(4) . . ?
C64 B32 B31 105.2(5) . . ?
C64 B32 B33 57.4(4) . . ?
C64 B32 B36 103.2(5) . . ?
C65 B32 C64 61.0(4) . . ?
C65 B32 B31 56.8(4) . . ?
C65 B32 B33 106.9(5) . . ?
C65 B32 B36 104.6(5) . . ?
B33 B32 B31 107.6(5) . . ?
B36 B32 B31 60.5(4) . . ?
B36 B32 B33 59.0(4) . . ?
C64 B33 B28 58.8(4) . . ?
C64 B33 B32 58.9(4) . . ?
C64 B33 B34 105.1(5) . . ?
C64 B33 B36 105.3(5) . . ?
B32 B33 B28 108.2(5) . . ?
B34 B33 B28 59.5(4) . . ?
B34 B33 B32 109.0(5) . . ?
B36 B33 B28 108.3(5) . . ?
B36 B33 B32 60.2(4) . . ?
B36 B33 B34 61.0(4) . . ?
B28 B34 B29 59.9(4) . . ?
B28 B34 B35 107.1(5) . . ?
B28 B34 B36 108.1(5) . . ?
B33 B34 B28 61.1(4) . . ?
B33 B34 B29 109.3(5) . . ?
B33 B34 B35 107.4(5) . . ?
B33 B34 B36 59.2(4) . . ?
B35 B34 B29 59.9(4) . . ?
B35 B34 B36 60.3(4) . . ?
B36 B34 B29 109.0(5) . . ?
B29 B35 B36 109.1(5) . . ?
B30 B35 B29 61.5(4) . . ?
B30 B35 B31 61.4(4) . . ?
B30 B35 B34 110.1(5) . . ?
B30 B35 B36 110.1(5) . . ?
B31 B35 B29 110.4(5) . . ?
B31 B35 B36 60.4(4) . . ?
B34 B35 B29 60.4(4) . . ?
B34 B35 B31 109.0(5) . . ?
B34 B35 B36 59.9(4) . . ?
B32 B36 B31 60.4(4) . . ?
B32 B36 B34 108.6(5) . . ?
B32 B36 B35 107.7(5) . . ?
B33 B36 B31 109.1(5) . . ?
B33 B36 B32 60.8(4) . . ?
B33 B36 B34 59.8(4) . . ?
B33 B36 B35 107.6(5) . . ?
B34 B36 B31 108.3(5) . . ?
B34 B36 B35 59.8(4) . . ?
B35 B36 B31 59.6(4) . . ?

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
Rh1 C1 C2 C3 -72.4(4) . . . . ?
Rh1 C1 C2 B3 55.5(3) . . . . ?
Rh1 C1 C2 B4 120.6(5) . . . . ?
Rh1 C1 C2 B5 163.5(4) . . . . ?
Rh1 C1 B1 B2 -53.7(4) . . . . ?
Rh1 C1 B1 B6 -156.1(4) . . . . ?
Rh1 C1 B1 B7 -116.6(5) . . . . ?
Rh1 C1 B5 C2 -18.1(4) . . . . ?
Rh1 C1 B5 B4 20.0(6) . . . . ?
Rh1 C1 B5 B6 121.6(5) . . . . ?
Rh1 C1 B5 B9 81.7(6) . . . . ?
Rh1 C1 B6 B1 30.0(5) . . . . ?
Rh1 C1 B6 B5 -112.8(6) . . . . ?
Rh1 C1 B6 B7 -9.3(8) . . . . ?
Rh1 C1 B6 B9 -72.1(7) . . . . ?
Rh1 C2 C3 C4 114.5(6) . . . . ?
Rh1 C2 B3 B2 56.9(4) . . . . ?
Rh1 C2 B3 B4 159.4(4) . . . . ?
Rh1 C2 B3 B8 119.4(5) . . . . ?
Rh1 C2 B4 B3 -23.3(5) . . . . ?
Rh1 C2 B4 B5 116.9(5) . . . . ?
Rh1 C2 B4 B8 16.9(7) . . . . ?
Rh1 C2 B4 B9 79.3(6) . . . . ?
Rh1 C2 B5 C1 18.9(5) . . . . ?
Rh1 C2 B5 B4 -116.1(5) . . . . ?
Rh1 C2 B5 B6 -16.0(7) . . . . ?
Rh1 C2 B5 B9 -78.0(6) . . . . ?
Rh1 C3 C4 C5 81.5(7) . . . . ?
Rh1 C3 C4 C9 -102.6(6) . . . . ?
Rh1 C14 C15 C16 99.7(7) . . . . ?
Rh1 C14 C21 C20 9.7(7) . . . . ?
Rh1 C15 C16 C17 42.7(7) . . . . ?
Rh1 C18 C19 C20 103.1(6) . . . . ?
Rh1 C19 C20 C21 37.2(7) . . . . ?
Rh1 B1 B2 B3 -49.3(4) . . . . ?
Rh1 B1 B2 B7 -147.9(4) . . . . ?
Rh1 B1 B2 B8 -111.2(5) . . . . ?
Rh1 B1 B6 C1 -23.8(4) . . . . ?
Rh1 B1 B6 B5 9.3(7) . . . . ?
Rh1 B1 B6 B7 110.5(5) . . . . ?
Rh1 B1 B6 B9 73.2(6) . . . . ?
Rh1 B1 B7 B2 34.4(5) . . . . ?
Rh1 B1 B7 B6 -104.8(5) . . . . ?
Rh1 B1 B7 B8 -3.5(7) . . . . ?
Rh1 B1 B7 B9 -67.8(7) . . . . ?
Rh1 B2 B3 C2 -52.9(4) . . . . ?
Rh1 B2 B3 B4 -111.9(5) . . . . ?
Rh1 B2 B3 B8 -149.0(4) . . . . ?
Rh1 B2 B7 B1 -33.2(5) . . . . ?
Rh1 B2 B7 B6 4.4(7) . . . . ?
Rh1 B2 B7 B8 104.6(5) . . . . ?
Rh1 B2 B7 B9 67.9(6) . . . . ?
Rh1 B2 B8 B3 30.7(4) . . . . ?
Rh1 B2 B8 B4 -6.8(7) . . . . ?
Rh1 B2 B8 B7 -107.6(5) . . . . ?
Rh1 B2 B8 B9 -71.0(6) . . . . ?
Rh1 B3 B4 C2 20.5(4) . . . . ?
Rh1 B3 B4 B5 -14.5(7) . . . . ?
Rh1 B3 B4 B8 -113.3(5) . . . . ?
Rh1 B3 B4 B9 -77.1(6) . . . . ?
Rh1 B3 B8 B2 -34.7(5) . . . . ?
Rh1 B3 B8 B4 104.2(6) . . . . ?
Rh1 B3 B8 B7 3.3(7) . . . . ?
Rh1 B3 B8 B9 67.4(7) . . . . ?
C1 C2 C3 Rh1 62.7(4) . . . . ?
C1 C2 C3 C4 177.1(6) . . . . ?
C1 C2 B3 Rh1 -55.7(3) . . . . ?
C1 C2 B3 B2 1.2(6) . . . . ?
C1 C2 B3 B4 103.7(5) . . . . ?
C1 C2 B3 B8 63.7(6) . . . . ?
C1 C2 B4 B3 -99.3(5) . . . . ?
C1 C2 B4 B5 40.8(5) . . . . ?
C1 C2 B4 B8 -59.2(6) . . . . ?
C1 C2 B4 B9 3.2(6) . . . . ?
C1 C2 B5 B4 -134.9(5) . . . . ?
C1 C2 B5 B6 -34.9(4) . . . . ?
C1 C2 B5 B9 -96.8(5) . . . . ?
C1 B1 B2 Rh1 51.2(4) . . . . ?
C1 B1 B2 B3 2.0(7) . . . . ?
C1 B1 B2 B7 -96.6(5) . . . . ?
C1 B1 B2 B8 -59.9(6) . . . . ?
C1 B1 B6 B5 33.1(5) . . . . ?
C1 B1 B6 B7 134.3(5) . . . . ?
C1 B1 B6 B9 97.0(5) . . . . ?
C1 B1 B7 B2 101.0(5) . . . . ?
C1 B1 B7 B6 -38.2(5) . . . . ?
C1 B1 B7 B8 63.2(6) . . . . ?
C1 B1 B7 B9 -1.2(7) . . . . ?
C1 B5 B6 B1 -33.2(5) . . . . ?
C1 B5 B6 B7 -95.8(5) . . . . ?
C1 B5 B6 B9 -133.6(5) . . . . ?
C1 B5 B9 B4 -98.9(5) . . . . ?
C1 B5 B9 B6 39.0(4) . . . . ?
C1 B5 B9 B7 1.6(6) . . . . ?
C1 B5 B9 B8 -61.3(6) . . . . ?
C1 B6 B7 B1 39.3(5) . . . . ?
C1 B6 B7 B2 1.9(7) . . . . ?
C1 B6 B7 B8 -62.2(7) . . . . ?
C1 B6 B7 B9 -99.2(6) . . . . ?
C1 B6 B9 B4 -1.6(7) . . . . ?
C1 B6 B9 B5 -39.9(5) . . . . ?
C1 B6 B9 B7 98.3(5) . . . . ?
C1 B6 B9 B8 62.0(6) . . . . ?
C2 C1 B1 Rh1 52.4(4) . . . . ?
C2 C1 B1 B2 -1.2(7) . . . . ?
C2 C1 B1 B6 -103.6(5) . . . . ?
C2 C1 B1 B7 -64.2(6) . . . . ?
C2 C1 B5 B4 38.1(4) . . . . ?
C2 C1 B5 B6 139.7(5) . . . . ?
C2 C1 B5 B9 99.9(5) . . . . ?
C2 C1 B6 B1 105.7(5) . . . . ?
C2 C1 B6 B5 -37.0(5) . . . . ?
C2 C1 B6 B7 66.4(6) . . . . ?
C2 C1 B6 B9 3.7(7) . . . . ?
C2 C3 C4 C5 2.0(10) . . . . ?
C2 C3 C4 C9 177.9(6) . . . . ?
C2 B3 B4 B5 -35.0(5) . . . . ?
C2 B3 B4 B8 -133.8(6) . . . . ?
C2 B3 B4 B9 -97.5(6) . . . . ?
C2 B3 B8 B2 -101.1(5) . . . . ?
C2 B3 B8 B4 37.9(5) . . . . ?
C2 B3 B8 B7 -63.1(6) . . . . ?
C2 B3 B8 B9 1.1(7) . . . . ?
C2 B4 B5 C1 -39.1(4) . . . . ?
C2 B4 B5 B6 -99.3(5) . . . . ?
C2 B4 B5 B9 -136.4(5) . . . . ?
C2 B4 B8 B2 -4.5(7) . . . . ?
C2 B4 B8 B3 -41.9(5) . . . . ?
C2 B4 B8 B7 60.3(6) . . . . ?
C2 B4 B8 B9 97.4(6) . . . . ?
C2 B4 B9 B5 37.0(5) . . . . ?
C2 B4 B9 B6 -1.0(7) . . . . ?
C2 B4 B9 B7 -64.6(6) . . . . ?
C2 B4 B9 B8 -101.1(5) . . . . ?
C2 B5 B6 C1 35.7(4) . . . . ?
C2 B5 B6 B1 2.5(7) . . . . ?
C2 B5 B6 B7 -60.1(6) . . . . ?
C2 B5 B6 B9 -97.9(5) . . . . ?
C2 B5 B9 B4 -37.1(5) . . . . ?
C2 B5 B9 B6 100.8(5) . . . . ?
C2 B5 B9 B7 63.4(6) . . . . ?
C2 B5 B9 B8 0.5(7) . . . . ?
C3 C2 B3 Rh1 69.0(5) . . . . ?
C3 C2 B3 B2 126.0(6) . . . . ?
C3 C2 B3 B4 -131.5(6) . . . . ?
C3 C2 B3 B8 -171.6(5) . . . . ?
C3 C2 B4 B3 98.6(8) . . . . ?
C3 C2 B4 B5 -121.2(8) . . . . ?
C3 C2 B4 B8 138.7(7) . . . . ?
C3 C2 B4 B9 -158.8(7) . . . . ?
C3 C2 B5 C1 -93.7(7) . . . . ?
C3 C2 B5 B4 131.3(7) . . . . ?
C3 C2 B5 B6 -128.6(7) . . . . ?
C3 C2 B5 B9 169.4(6) . . . . ?
C3 C4 C5 C6 175.8(6) . . . . ?
C3 C4 C9 C8 -176.9(6) . . . . ?
C3 C4 C9 C10 4.4(9) . . . . ?
C4 C5 C6 C7 0.7(10) . . . . ?
C4 C9 C10 C11 177.3(7) . . . . ?
C5 C4 C9 C8 -0.8(9) . . . . ?
C5 C4 C9 C10 -179.6(6) . . . . ?
C5 C6 C7 C8 -0.2(11) . . . . ?
C6 C7 C8 C9 -0.8(10) . . . . ?
C6 C7 C8 C13 177.6(7) . . . . ?
C7 C8 C9 C4 1.3(9) . . . . ?
C7 C8 C9 C10 -179.9(6) . . . . ?
C7 C8 C13 C12 -179.2(8) . . . . ?
C8 C9 C10 C11 -1.5(10) . . . . ?
C9 C4 C5 C6 -0.2(9) . . . . ?
C9 C8 C13 C12 -0.9(11) . . . . ?
C9 C10 C11 C12 0.4(12) . . . . ?
C10 C11 C12 C13 0.5(14) . . . . ?
C11 C12 C13 C8 -0.2(13) . . . . ?
C13 C8 C9 C4 -177.1(6) . . . . ?
C13 C8 C9 C10 1.7(9) . . . . ?
C14 C15 C16 C17 -39.7(10) . . . . ?
C15 C14 C21 C20 91.1(8) . . . . ?
C15 C16 C17 C18 -37.5(8) . . . . ?
C16 C17 C18 Rh1 12.5(7) . . . . ?
C16 C17 C18 C19 95.5(8) . . . . ?
C17 C18 C19 Rh1 -106.1(7) . . . . ?
C17 C18 C19 C20 -3.0(11) . . . . ?
C18 C19 C20 C21 -44.8(9) . . . . ?
C19 C20 C21 C14 -31.0(8) . . . . ?
C21 C14 C15 Rh1 -103.2(6) . . . . ?
C21 C14 C15 C16 -3.5(11) . . . . ?
B1 C1 C2 Rh1 -55.4(4) . . . . ?
B1 C1 C2 C3 -127.8(6) . . . . ?
B1 C1 C2 B3 0.0(6) . . . . ?
B1 C1 C2 B4 65.2(6) . . . . ?
B1 C1 C2 B5 108.1(6) . . . . ?
B1 C1 B5 C2 -102.4(5) . . . . ?
B1 C1 B5 B4 -64.3(6) . . . . ?
B1 C1 B5 B6 37.3(5) . . . . ?
B1 C1 B5 B9 -2.5(7) . . . . ?
B1 C1 B6 B5 -142.8(5) . . . . ?
B1 C1 B6 B7 -39.3(5) . . . . ?
B1 C1 B6 B9 -102.1(5) . . . . ?
B1 B2 B3 Rh1 51.0(4) . . . . ?
B1 B2 B3 C2 -1.9(7) . . . . ?
B1 B2 B3 B4 -60.9(7) . . . . ?
B1 B2 B3 B8 -98.0(6) . . . . ?
B1 B2 B7 B6 37.6(5) . . . . ?
B1 B2 B7 B8 137.8(5) . . . . ?
B1 B2 B7 B9 101.1(6) . . . . ?
B1 B2 B8 B3 101.8(5) . . . . ?
B1 B2 B8 B4 64.3(6) . . . . ?
B1 B2 B8 B7 -36.5(5) . . . . ?
B1 B2 B8 B9 0.1(7) . . . . ?
B1 B6 B7 B2 -37.4(5) . . . . ?
B1 B6 B7 B8 -101.5(6) . . . . ?
B1 B6 B7 B9 -138.5(5) . . . . ?
B1 B6 B9 B4 -63.3(6) . . . . ?
B1 B6 B9 B5 -101.6(5) . . . . ?
B1 B6 B9 B7 36.6(5) . . . . ?
B1 B6 B9 B8 0.3(7) . . . . ?
B1 B7 B8 B2 38.1(5) . . . . ?
B1 B7 B8 B3 0.3(7) . . . . ?
B1 B7 B8 B4 -64.4(7) . . . . ?
B1 B7 B8 B9 -101.5(6) . . . . ?
B1 B7 B9 B4 64.4(7) . . . . ?
B1 B7 B9 B5 -0.3(7) . . . . ?
B1 B7 B9 B6 -37.8(5) . . . . ?
B1 B7 B9 B8 101.2(6) . . . . ?
B2 B1 B6 C1 -97.3(5) . . . . ?
B2 B1 B6 B5 -64.1(6) . . . . ?
B2 B1 B6 B7 37.0(5) . . . . ?
B2 B1 B6 B9 -0.2(7) . . . . ?
B2 B1 B7 B6 -139.2(5) . . . . ?
B2 B1 B7 B8 -37.9(5) . . . . ?
B2 B1 B7 B9 -102.2(6) . . . . ?
B2 B3 B4 C2 96.7(5) . . . . ?
B2 B3 B4 B5 61.7(6) . . . . ?
B2 B3 B4 B8 -37.1(5) . . . . ?
B2 B3 B4 B9 -0.8(7) . . . . ?
B2 B3 B8 B4 139.0(6) . . . . ?
B2 B3 B8 B7 38.0(5) . . . . ?
B2 B3 B8 B9 102.2(6) . . . . ?
B2 B7 B8 B3 -37.9(5) . . . . ?
B2 B7 B8 B4 -102.6(6) . . . . ?
B2 B7 B8 B9 -139.7(5) . . . . ?
B2 B7 B9 B4 -0.2(7) . . . . ?
B2 B7 B9 B5 -64.9(7) . . . . ?
B2 B7 B9 B6 -102.5(6) . . . . ?
B2 B7 B9 B8 36.5(5) . . . . ?
B2 B8 B9 B4 101.9(6) . . . . ?
B2 B8 B9 B5 63.7(7) . . . . ?
B2 B8 B9 B6 -0.2(7) . . . . ?
B2 B8 B9 B7 -36.9(5) . . . . ?
B3 C2 C3 Rh1 -60.2(4) . . . . ?
B3 C2 C3 C4 54.3(8) . . . . ?
B3 C2 B4 B5 140.2(5) . . . . ?
B3 C2 B4 B8 40.1(5) . . . . ?
B3 C2 B4 B9 102.5(6) . . . . ?
B3 C2 B5 C1 97.0(5) . . . . ?
B3 C2 B5 B4 -37.9(5) . . . . ?
B3 C2 B5 B6 62.1(6) . . . . ?
B3 C2 B5 B9 0.2(7) . . . . ?
B3 B2 B7 B1 -101.4(5) . . . . ?
B3 B2 B7 B6 -63.8(7) . . . . ?
B3 B2 B7 B8 36.5(5) . . . . ?
B3 B2 B7 B9 -0.3(7) . . . . ?
B3 B2 B8 B4 -37.5(5) . . . . ?
B3 B2 B8 B7 -138.3(5) . . . . ?
B3 B2 B8 B9 -101.7(6) . . . . ?
B3 B4 B5 C1 -2.1(6) . . . . ?
B3 B4 B5 C2 37.0(5) . . . . ?
B3 B4 B5 B6 -62.3(6) . . . . ?
B3 B4 B5 B9 -99.4(6) . . . . ?
B3 B4 B8 B2 37.4(5) . . . . ?
B3 B4 B8 B7 102.2(6) . . . . ?
B3 B4 B8 B9 139.3(6) . . . . ?
B3 B4 B9 B5 102.3(6) . . . . ?
B3 B4 B9 B6 64.3(7) . . . . ?
B3 B4 B9 B7 0.7(7) . . . . ?
B3 B4 B9 B8 -35.8(5) . . . . ?
B3 B8 B9 B4 37.1(5) . . . . ?
B3 B8 B9 B5 -1.1(7) . . . . ?
B3 B8 B9 B6 -65.0(7) . . . . ?
B3 B8 B9 B7 -101.7(6) . . . . ?
B4 C2 C3 Rh1 -135.4(8) . . . . ?
B4 C2 C3 C4 -21.0(12) . . . . ?
B4 C2 B3 Rh1 -159.4(4) . . . . ?
B4 C2 B3 B2 -102.5(5) . . . . ?
B4 C2 B3 B8 -40.0(5) . . . . ?
B4 C2 B5 C1 134.9(5) . . . . ?
B4 C2 B5 B6 100.1(6) . . . . ?
B4 C2 B5 B9 38.1(5) . . . . ?
B4 B3 B8 B2 -139.0(6) . . . . ?
B4 B3 B8 B7 -101.0(6) . . . . ?
B4 B3 B8 B9 -36.8(5) . . . . ?
B4 B5 B6 C1 96.3(5) . . . . ?
B4 B5 B6 B1 63.1(6) . . . . ?
B4 B5 B6 B7 0.5(7) . . . . ?
B4 B5 B6 B9 -37.3(5) . . . . ?
B4 B5 B9 B6 138.0(6) . . . . ?
B4 B5 B9 B7 100.5(6) . . . . ?
B4 B5 B9 B8 37.7(5) . . . . ?
B4 B8 B9 B5 -38.2(5) . . . . ?
B4 B8 B9 B6 -102.1(6) . . . . ?
B4 B8 B9 B7 -138.8(5) . . . . ?
B5 C1 C2 Rh1 -163.5(4) . . . . ?
B5 C1 C2 C3 124.1(6) . . . . ?
B5 C1 C2 B3 -108.0(5) . . . . ?
B5 C1 C2 B4 -42.9(5) . . . . ?
B5 C1 B1 Rh1 119.0(5) . . . . ?
B5 C1 B1 B2 65.3(6) . . . . ?
B5 C1 B1 B6 -37.0(5) . . . . ?
B5 C1 B1 B7 2.4(7) . . . . ?
B5 C1 B6 B1 142.8(5) . . . . ?
B5 C1 B6 B7 103.4(6) . . . . ?
B5 C1 B6 B9 40.7(5) . . . . ?
B5 C2 C3 Rh1 130.8(7) . . . . ?
B5 C2 C3 C4 -114.8(8) . . . . ?
B5 C2 B3 Rh1 -120.2(5) . . . . ?
B5 C2 B3 B2 -63.3(6) . . . . ?
B5 C2 B3 B4 39.2(5) . . . . ?
B5 C2 B3 B8 -0.8(7) . . . . ?
B5 C2 B4 B3 -140.2(5) . . . . ?
B5 C2 B4 B8 -100.1(6) . . . . ?
B5 C2 B4 B9 -37.6(5) . . . . ?
B5 B4 B8 B2 -65.1(7) . . . . ?
B5 B4 B8 B3 -102.5(6) . . . . ?
B5 B4 B8 B7 -0.3(7) . . . . ?
B5 B4 B8 B9 36.8(5) . . . . ?
B5 B4 B9 B6 -38.0(5) . . . . ?
B5 B4 B9 B7 -101.6(6) . . . . ?
B5 B4 B9 B8 -138.1(6) . . . . ?
B5 B6 B7 B1 100.9(5) . . . . ?
B5 B6 B7 B2 63.5(7) . . . . ?
B5 B6 B7 B8 -0.6(7) . . . . ?
B5 B6 B7 B9 -37.7(5) . . . . ?
B5 B6 B9 B4 38.3(5) . . . . ?
B5 B6 B9 B7 138.2(5) . . . . ?
B5 B6 B9 B8 101.9(5) . . . . ?
B6 C1 C2 Rh1 -125.1(5) . . . . ?
B6 C1 C2 C3 162.5(5) . . . . ?
B6 C1 C2 B3 -69.6(6) . . . . ?
B6 C1 C2 B4 -4.5(7) . . . . ?
B6 C1 C2 B5 38.4(5) . . . . ?
B6 C1 B1 Rh1 156.1(4) . . . . ?
B6 C1 B1 B2 102.4(6) . . . . ?
B6 C1 B1 B7 39.5(5) . . . . ?
B6 C1 B5 C2 -139.7(5) . . . . ?
B6 C1 B5 B4 -101.6(5) . . . . ?
B6 C1 B5 B9 -39.8(5) . . . . ?
B6 B1 B2 Rh1 111.3(5) . . . . ?
B6 B1 B2 B3 62.0(6) . . . . ?
B6 B1 B2 B7 -36.6(5) . . . . ?
B6 B1 B2 B8 0.1(6) . . . . ?
B6 B1 B7 B2 139.2(5) . . . . ?
B6 B1 B7 B8 101.3(6) . . . . ?
B6 B1 B7 B9 37.0(5) . . . . ?
B6 B5 B9 B4 -138.0(6) . . . . ?
B6 B5 B9 B7 -37.5(5) . . . . ?
B6 B5 B9 B8 -100.3(6) . . . . ?
B6 B7 B8 B2 103.1(6) . . . . ?
B6 B7 B8 B3 65.3(7) . . . . ?
B6 B7 B8 B4 0.6(7) . . . . ?
B6 B7 B8 B9 -36.5(5) . . . . ?
B6 B7 B9 B4 102.2(6) . . . . ?
B6 B7 B9 B5 37.6(5) . . . . ?
B6 B7 B9 B8 139.0(5) . . . . ?
B7 B1 B2 Rh1 147.9(4) . . . . ?
B7 B1 B2 B3 98.6(6) . . . . ?
B7 B1 B2 B8 36.7(5) . . . . ?
B7 B1 B6 C1 -134.3(5) . . . . ?
B7 B1 B6 B5 -101.2(6) . . . . ?
B7 B1 B6 B9 -37.3(5) . . . . ?
B7 B2 B3 Rh1 112.5(5) . . . . ?
B7 B2 B3 C2 59.6(6) . . . . ?
B7 B2 B3 B4 0.7(7) . . . . ?
B7 B2 B3 B8 -36.4(5) . . . . ?
B7 B2 B8 B3 138.3(5) . . . . ?
B7 B2 B8 B4 100.9(6) . . . . ?
B7 B2 B8 B9 36.6(5) . . . . ?
B7 B6 B9 B4 -99.9(6) . . . . ?
B7 B6 B9 B5 -138.2(5) . . . . ?
B7 B6 B9 B8 -36.3(5) . . . . ?
B7 B8 B9 B4 138.8(5) . . . . ?
B7 B8 B9 B5 100.6(6) . . . . ?
B7 B8 B9 B6 36.7(5) . . . . ?
B8 B2 B3 Rh1 149.0(4) . . . . ?
B8 B2 B3 C2 96.1(5) . . . . ?
B8 B2 B3 B4 37.1(5) . . . . ?
B8 B2 B7 B1 -137.8(5) . . . . ?
B8 B2 B7 B6 -100.2(6) . . . . ?
B8 B2 B7 B9 -36.7(5) . . . . ?
B8 B3 B4 C2 133.8(6) . . . . ?
B8 B3 B4 B5 98.8(6) . . . . ?
B8 B3 B4 B9 36.3(5) . . . . ?
B8 B4 B5 C1 60.1(6) . . . . ?
B8 B4 B5 C2 99.2(6) . . . . ?
B8 B4 B5 B6 -0.1(7) . . . . ?
B8 B4 B5 B9 -37.2(5) . . . . ?
B8 B4 B9 B5 138.1(6) . . . . ?
B8 B4 B9 B6 100.1(6) . . . . ?
B8 B4 B9 B7 36.5(5) . . . . ?
B8 B7 B9 B4 -36.8(5) . . . . ?
B8 B7 B9 B5 -101.4(5) . . . . ?
B8 B7 B9 B6 -139.0(5) . . . . ?
B9 B4 B5 C1 97.3(5) . . . . ?
B9 B4 B5 C2 136.4(5) . . . . ?
B9 B4 B5 B6 37.1(5) . . . . ?
B9 B4 B8 B2 -101.9(6) . . . . ?
B9 B4 B8 B3 -139.3(6) . . . . ?
B9 B4 B8 B7 -37.1(5) . . . . ?
B9 B5 B6 C1 133.6(5) . . . . ?
B9 B5 B6 B1 100.4(6) . . . . ?
B9 B5 B6 B7 37.8(5) . . . . ?
B9 B6 B7 B1 138.5(5) . . . . ?
B9 B6 B7 B2 101.2(6) . . . . ?
B9 B6 B7 B8 37.0(5) . . . . ?
B9 B7 B8 B2 139.7(5) . . . . ?
B9 B7 B8 B3 101.8(6) . . . . ?
B9 B7 B8 B4 37.1(5) . . . . ?
Rh2 C22 C23 C24 -73.1(5) . . . . ?
Rh2 C22 C23 B12 55.5(4) . . . . ?
Rh2 C22 C23 B13 121.9(5) . . . . ?
Rh2 C22 C23 B14 163.8(5) . . . . ?
Rh2 C22 B10 B11 -54.9(4) . . . . ?
Rh2 C22 B10 B15 -155.5(5) . . . . ?
Rh2 C22 B10 B16 -116.5(5) . . . . ?
Rh2 C22 B14 C23 -17.5(5) . . . . ?
Rh2 C22 B14 B13 20.4(7) . . . . ?
Rh2 C22 B14 B15 121.2(6) . . . . ?
Rh2 C22 B14 B18 81.7(6) . . . . ?
Rh2 C22 B15 B10 30.3(6) . . . . ?
Rh2 C22 B15 B14 -112.3(7) . . . . ?
Rh2 C22 B15 B16 -9.8(9) . . . . ?
Rh2 C22 B15 B18 -73.1(7) . . . . ?
Rh2 C23 C24 C25 111.8(6) . . . . ?
Rh2 C23 B12 B11 57.5(4) . . . . ?
Rh2 C23 B12 B13 158.1(5) . . . . ?
Rh2 C23 B12 B17 119.9(5) . . . . ?
Rh2 C23 B13 B12 -25.2(5) . . . . ?
Rh2 C23 B13 B14 115.1(6) . . . . ?
Rh2 C23 B13 B17 13.2(8) . . . . ?
Rh2 C23 B13 B18 77.2(7) . . . . ?
Rh2 C23 B14 C22 18.2(5) . . . . ?
Rh2 C23 B14 B13 -116.9(6) . . . . ?
Rh2 C23 B14 B15 -17.3(8) . . . . ?
Rh2 C23 B14 B18 -79.7(7) . . . . ?
Rh2 C24 C25 C26 77.6(8) . . . . ?
Rh2 C24 C25 C30 -107.2(6) . . . . ?
Rh2 C35 C36 C37 104.4(6) . . . . ?
Rh2 C35 C42 C41 11.5(8) . . . . ?
Rh2 C36 C37 C38 35.7(7) . . . . ?
Rh2 C39 C40 C41 100.7(7) . . . . ?
Rh2 C40 C41 C42 38.4(8) . . . . ?
Rh2 B10 B11 B12 -47.4(4) . . . . ?
Rh2 B10 B11 B16 -147.2(4) . . . . ?
Rh2 B10 B11 B17 -108.8(5) . . . . ?
Rh2 B10 B15 C22 -24.4(5) . . . . ?
Rh2 B10 B15 B14 8.7(8) . . . . ?
Rh2 B10 B15 B16 109.8(6) . . . . ?
Rh2 B10 B15 B18 71.5(6) . . . . ?
Rh2 B10 B16 B11 35.3(5) . . . . ?
Rh2 B10 B16 B15 -104.6(6) . . . . ?
Rh2 B10 B16 B17 -3.3(7) . . . . ?
Rh2 B10 B16 B18 -66.8(7) . . . . ?
Rh2 B11 B12 C23 -53.1(4) . . . . ?
Rh2 B11 B12 B13 -111.1(5) . . . . ?
Rh2 B11 B12 B17 -148.8(5) . . . . ?
Rh2 B11 B16 B10 -33.8(5) . . . . ?
Rh2 B11 B16 B15 3.0(8) . . . . ?
Rh2 B11 B16 B17 103.0(5) . . . . ?
Rh2 B11 B16 B18 67.0(7) . . . . ?
Rh2 B11 B17 B12 30.2(5) . . . . ?
Rh2 B11 B17 B13 -9.4(7) . . . . ?
Rh2 B11 B17 B16 -109.1(5) . . . . ?
Rh2 B11 B17 B18 -72.8(6) . . . . ?
Rh2 B12 B13 C23 21.6(4) . . . . ?
Rh2 B12 B13 B14 -14.0(7) . . . . ?
Rh2 B12 B13 B17 -114.0(6) . . . . ?
Rh2 B12 B13 B18 -77.8(6) . . . . ?
Rh2 B12 B17 B11 -35.2(5) . . . . ?
Rh2 B12 B17 B13 102.3(6) . . . . ?
Rh2 B12 B17 B16 1.6(8) . . . . ?
Rh2 B12 B17 B18 66.5(7) . . . . ?
C22 C23 C24 Rh2 62.7(4) . . . . ?
C22 C23 C24 C25 174.5(6) . . . . ?
C22 C23 B12 Rh2 -55.3(4) . . . . ?
C22 C23 B12 B11 2.2(7) . . . . ?
C22 C23 B12 B13 102.8(6) . . . . ?
C22 C23 B12 B17 64.5(6) . . . . ?
C22 C23 B13 B12 -100.2(5) . . . . ?
C22 C23 B13 B14 40.1(5) . . . . ?
C22 C23 B13 B17 -61.8(7) . . . . ?
C22 C23 B13 B18 2.1(7) . . . . ?
C22 C23 B14 B13 -135.1(5) . . . . ?
C22 C23 B14 B15 -35.5(5) . . . . ?
C22 C23 B14 B18 -97.9(6) . . . . ?
C22 B10 B11 Rh2 51.9(4) . . . . ?
C22 B10 B11 B12 4.5(7) . . . . ?
C22 B10 B11 B16 -95.3(6) . . . . ?
C22 B10 B11 B17 -56.9(6) . . . . ?
C22 B10 B15 B14 33.1(5) . . . . ?
C22 B10 B15 B16 134.3(6) . . . . ?
C22 B10 B15 B18 95.9(6) . . . . ?
C22 B10 B16 B11 101.9(5) . . . . ?
C22 B10 B16 B15 -38.0(5) . . . . ?
C22 B10 B16 B17 63.3(6) . . . . ?
C22 B10 B16 B18 -0.2(7) . . . . ?
C22 B14 B15 B10 -33.3(5) . . . . ?
C22 B14 B15 B16 -97.0(6) . . . . ?
C22 B14 B15 B18 -134.6(6) . . . . ?
C22 B14 B18 B13 -99.1(6) . . . . ?
C22 B14 B18 B15 38.2(5) . . . . ?
C22 B14 B18 B16 1.5(7) . . . . ?
C22 B14 B18 B17 -61.3(7) . . . . ?
C22 B15 B16 B10 39.5(5) . . . . ?
C22 B15 B16 B11 3.0(8) . . . . ?
C22 B15 B16 B17 -61.1(7) . . . . ?
C22 B15 B16 B18 -98.3(6) . . . . ?
C22 B15 B18 B13 -0.2(7) . . . . ?
C22 B15 B18 B14 -38.9(5) . . . . ?
C22 B15 B18 B16 99.6(6) . . . . ?
C22 B15 B18 B17 63.0(7) . . . . ?
C23 C22 B10 Rh2 51.7(4) . . . . ?
C23 C22 B10 B11 -3.2(7) . . . . ?
C23 C22 B10 B15 -103.8(6) . . . . ?
C23 C22 B10 B16 -64.8(6) . . . . ?
C23 C22 B14 B13 37.9(5) . . . . ?
C23 C22 B14 B15 138.7(6) . . . . ?
C23 C22 B14 B18 99.2(6) . . . . ?
C23 C22 B15 B10 104.8(6) . . . . ?
C23 C22 B15 B14 -37.7(5) . . . . ?
C23 C22 B15 B16 64.8(7) . . . . ?
C23 C22 B15 B18 1.5(7) . . . . ?
C23 C24 C25 C26 1.7(11) . . . . ?
C23 C24 C25 C30 176.9(6) . . . . ?
C23 B12 B13 B14 -35.6(5) . . . . ?
C23 B12 B13 B17 -135.6(6) . . . . ?
C23 B12 B13 B18 -99.4(6) . . . . ?
C23 B12 B17 B11 -101.4(5) . . . . ?
C23 B12 B17 B13 36.2(5) . . . . ?
C23 B12 B17 B16 -64.6(6) . . . . ?
C23 B12 B17 B18 0.3(7) . . . . ?
C23 B13 B14 C22 -39.5(5) . . . . ?
C23 B13 B14 B15 -99.3(6) . . . . ?
C23 B13 B14 B18 -137.1(6) . . . . ?
C23 B13 B17 B11 -0.8(8) . . . . ?
C23 B13 B17 B12 -40.1(5) . . . . ?
C23 B13 B17 B16 62.9(7) . . . . ?
C23 B13 B17 B18 100.1(6) . . . . ?
C23 B13 B18 B14 37.5(5) . . . . ?
C23 B13 B18 B15 -1.2(7) . . . . ?
C23 B13 B18 B16 -63.8(7) . . . . ?
C23 B13 B18 B17 -100.2(6) . . . . ?
C23 B14 B15 C22 36.9(5) . . . . ?
C23 B14 B15 B10 3.7(8) . . . . ?
C23 B14 B15 B16 -60.0(7) . . . . ?
C23 B14 B15 B18 -97.6(6) . . . . ?
C23 B14 B18 B13 -36.3(5) . . . . ?
C23 B14 B18 B15 101.0(6) . . . . ?
C23 B14 B18 B16 64.3(7) . . . . ?
C23 B14 B18 B17 1.5(8) . . . . ?
C24 C23 B12 Rh2 68.6(5) . . . . ?
C24 C23 B12 B11 126.0(6) . . . . ?
C24 C23 B12 B13 -133.3(7) . . . . ?
C24 C23 B12 B17 -171.6(6) . . . . ?
C24 C23 B13 B12 101.4(9) . . . . ?
C24 C23 B13 B14 -118.3(10) . . . . ?
C24 C23 B13 B17 139.8(8) . . . . ?
C24 C23 B13 B18 -156.2(8) . . . . ?
C24 C23 B14 C22 -92.2(8) . . . . ?
C24 C23 B14 B13 132.7(8) . . . . ?
C24 C23 B14 B15 -127.6(7) . . . . ?
C24 C23 B14 B18 169.9(7) . . . . ?
C24 C25 C26 C27 177.2(7) . . . . ?
C24 C25 C30 C29 -176.8(6) . . . . ?
C24 C25 C30 C31 1.8(9) . . . . ?
C25 C26 C27 C28 -1.3(13) . . . . ?
C25 C30 C31 C32 -178.0(6) . . . . ?
C26 C25 C30 C29 -1.4(9) . . . . ?
C26 C25 C30 C31 177.2(6) . . . . ?
C26 C27 C28 C29 -0.1(13) . . . . ?
C27 C28 C29 C30 0.7(12) . . . . ?
C27 C28 C29 C34 -176.6(8) . . . . ?
C28 C29 C30 C25 0.1(10) . . . . ?
C28 C29 C30 C31 -178.6(7) . . . . ?
C28 C29 C34 C33 179.1(7) . . . . ?
C29 C30 C31 C32 0.6(9) . . . . ?
C30 C25 C26 C27 2.0(11) . . . . ?
C30 C29 C34 C33 1.8(11) . . . . ?
C30 C31 C32 C33 -0.3(11) . . . . ?
C31 C32 C33 C34 0.8(12) . . . . ?
C32 C33 C34 C29 -1.5(12) . . . . ?
C34 C29 C30 C25 177.4(6) . . . . ?
C34 C29 C30 C31 -1.3(9) . . . . ?
C35 C36 C37 C38 -47.6(9) . . . . ?
C36 C35 C42 C41 93.2(9) . . . . ?
C36 C37 C38 C39 -29.0(9) . . . . ?
C37 C38 C39 Rh2 8.7(7) . . . . ?
C37 C38 C39 C40 90.5(8) . . . . ?
C38 C39 C40 Rh2 -104.0(6) . . . . ?
C38 C39 C40 C41 -3.2(11) . . . . ?
C39 C40 C41 C42 -43.9(10) . . . . ?
C40 C41 C42 C35 -33.8(9) . . . . ?
C42 C35 C36 Rh2 -106.0(7) . . . . ?
C42 C35 C36 C37 -1.5(10) . . . . ?
B10 C22 C23 Rh2 -54.8(4) . . . . ?
B10 C22 C23 C24 -127.9(6) . . . . ?
B10 C22 C23 B12 0.7(7) . . . . ?
B10 C22 C23 B13 67.1(7) . . . . ?
B10 C22 C23 B14 109.0(6) . . . . ?
B10 C22 B14 C23 -101.0(6) . . . . ?
B10 C22 B14 B13 -63.1(7) . . . . ?
B10 C22 B14 B15 37.7(6) . . . . ?
B10 C22 B14 B18 -1.8(8) . . . . ?
B10 C22 B15 B14 -142.6(6) . . . . ?
B10 C22 B15 B16 -40.0(6) . . . . ?
B10 C22 B15 B18 -103.3(6) . . . . ?
B10 B11 B12 Rh2 49.0(4) . . . . ?
B10 B11 B12 C23 -4.1(7) . . . . ?
B10 B11 B12 B13 -62.1(6) . . . . ?
B10 B11 B12 B17 -99.8(6) . . . . ?
B10 B11 B16 B15 36.8(6) . . . . ?
B10 B11 B16 B17 136.8(5) . . . . ?
B10 B11 B16 B18 100.8(6) . . . . ?
B10 B11 B17 B12 100.7(6) . . . . ?
B10 B11 B17 B13 61.1(7) . . . . ?
B10 B11 B17 B16 -38.5(5) . . . . ?
B10 B11 B17 B18 -2.2(7) . . . . ?
B10 B15 B16 B11 -36.5(5) . . . . ?
B10 B15 B16 B17 -100.6(6) . . . . ?
B10 B15 B16 B18 -137.8(6) . . . . ?
B10 B15 B18 B13 -61.8(7) . . . . ?
B10 B15 B18 B14 -100.6(6) . . . . ?
B10 B15 B18 B16 38.0(5) . . . . ?
B10 B15 B18 B17 1.4(7) . . . . ?
B10 B16 B17 B11 38.6(5) . . . . ?
B10 B16 B17 B12 1.1(7) . . . . ?
B10 B16 B17 B13 -65.1(7) . . . . ?
B10 B16 B17 B18 -101.6(6) . . . . ?
B10 B16 B18 B13 63.5(7) . . . . ?
B10 B16 B18 B14 -0.8(8) . . . . ?
B10 B16 B18 B15 -38.3(5) . . . . ?
B10 B16 B18 B17 100.2(6) . . . . ?
B11 B10 B15 C22 -98.7(6) . . . . ?
B11 B10 B15 B14 -65.6(7) . . . . ?
B11 B10 B15 B16 35.6(5) . . . . ?
B11 B10 B15 B18 -2.7(7) . . . . ?
B11 B10 B16 B15 -139.9(6) . . . . ?
B11 B10 B16 B17 -38.6(5) . . . . ?
B11 B10 B16 B18 -102.1(6) . . . . ?
B11 B12 B13 C23 97.6(6) . . . . ?
B11 B12 B13 B14 62.0(7) . . . . ?
B11 B12 B13 B17 -38.0(5) . . . . ?
B11 B12 B13 B18 -1.8(7) . . . . ?
B11 B12 B17 B13 137.5(6) . . . . ?
B11 B12 B17 B16 36.7(5) . . . . ?
B11 B12 B17 B18 101.7(6) . . . . ?
B11 B16 B17 B12 -37.5(5) . . . . ?
B11 B16 B17 B13 -103.6(6) . . . . ?
B11 B16 B17 B18 -140.1(6) . . . . ?
B11 B16 B18 B13 -0.6(8) . . . . ?
B11 B16 B18 B14 -64.9(7) . . . . ?
B11 B16 B18 B15 -102.3(6) . . . . ?
B11 B16 B18 B17 36.1(5) . . . . ?
B11 B17 B18 B13 102.9(6) . . . . ?
B11 B17 B18 B14 64.7(7) . . . . ?
B11 B17 B18 B15 0.5(7) . . . . ?
B11 B17 B18 B16 -35.9(5) . . . . ?
B12 C23 C24 Rh2 -60.0(5) . . . . ?
B12 C23 C24 C25 51.8(9) . . . . ?
B12 C23 B13 B14 140.2(6) . . . . ?
B12 C23 B13 B17 38.4(5) . . . . ?
B12 C23 B13 B18 102.3(6) . . . . ?
B12 C23 B14 C22 96.5(6) . . . . ?
B12 C23 B14 B13 -38.6(5) . . . . ?
B12 C23 B14 B15 61.1(7) . . . . ?
B12 C23 B14 B18 -1.4(8) . . . . ?
B12 B11 B16 B10 -101.4(6) . . . . ?
B12 B11 B16 B15 -64.6(7) . . . . ?
B12 B11 B16 B17 35.4(5) . . . . ?
B12 B11 B16 B18 -0.6(8) . . . . ?
B12 B11 B17 B13 -39.6(6) . . . . ?
B12 B11 B17 B16 -139.3(6) . . . . ?
B12 B11 B17 B18 -103.0(6) . . . . ?
B12 B13 B14 C22 -2.7(7) . . . . ?
B12 B13 B14 C23 36.8(5) . . . . ?
B12 B13 B14 B15 -62.4(7) . . . . ?
B12 B13 B14 B18 -100.3(6) . . . . ?
B12 B13 B17 B11 39.4(5) . . . . ?
B12 B13 B17 B16 103.1(6) . . . . ?
B12 B13 B17 B18 140.2(6) . . . . ?
B12 B13 B18 B14 102.7(6) . . . . ?
B12 B13 B18 B15 64.0(7) . . . . ?
B12 B13 B18 B16 1.5(7) . . . . ?
B12 B13 B18 B17 -35.0(5) . . . . ?
B12 B17 B18 B13 37.1(6) . . . . ?
B12 B17 B18 B14 -1.2(8) . . . . ?
B12 B17 B18 B15 -65.3(7) . . . . ?
B12 B17 B18 B16 -101.8(6) . . . . ?
B13 C23 C24 Rh2 -139.0(9) . . . . ?
B13 C23 C24 C25 -27.2(12) . . . . ?
B13 C23 B12 Rh2 -158.1(5) . . . . ?
B13 C23 B12 B11 -100.6(6) . . . . ?
B13 C23 B12 B17 -38.2(5) . . . . ?
B13 C23 B14 C22 135.1(5) . . . . ?
B13 C23 B14 B15 99.6(6) . . . . ?
B13 C23 B14 B18 37.2(5) . . . . ?
B13 B12 B17 B11 -137.5(6) . . . . ?
B13 B12 B17 B16 -100.8(6) . . . . ?
B13 B12 B17 B18 -35.8(6) . . . . ?
B13 B14 B15 C22 97.1(6) . . . . ?
B13 B14 B15 B10 63.8(7) . . . . ?
B13 B14 B15 B16 0.1(7) . . . . ?
B13 B14 B15 B18 -37.5(5) . . . . ?
B13 B14 B18 B15 137.3(6) . . . . ?
B13 B14 B18 B16 100.6(6) . . . . ?
B13 B14 B18 B17 37.8(5) . . . . ?
B13 B17 B18 B14 -38.3(5) . . . . ?
B13 B17 B18 B15 -102.4(6) . . . . ?
B13 B17 B18 B16 -138.8(6) . . . . ?
B14 C22 C23 Rh2 -163.8(5) . . . . ?
B14 C22 C23 C24 123.1(6) . . . . ?
B14 C22 C23 B12 -108.4(6) . . . . ?
B14 C22 C23 B13 -42.0(5) . . . . ?
B14 C22 B10 Rh2 117.8(6) . . . . ?
B14 C22 B10 B11 62.8(7) . . . . ?
B14 C22 B10 B15 -37.7(6) . . . . ?
B14 C22 B10 B16 1.2(7) . . . . ?
B14 C22 B15 B10 142.6(6) . . . . ?
B14 C22 B15 B16 102.5(7) . . . . ?
B14 C22 B15 B18 39.2(5) . . . . ?
B14 C23 C24 Rh2 128.9(8) . . . . ?
B14 C23 C24 C25 -119.3(8) . . . . ?
B14 C23 B12 Rh2 -119.2(5) . . . . ?
B14 C23 B12 B11 -61.7(7) . . . . ?
B14 C23 B12 B13 38.9(6) . . . . ?
B14 C23 B12 B17 0.7(7) . . . . ?
B14 C23 B13 B12 -140.2(6) . . . . ?
B14 C23 B13 B17 -101.9(6) . . . . ?
B14 C23 B13 B18 -37.9(5) . . . . ?
B14 B13 B17 B11 -62.9(7) . . . . ?
B14 B13 B17 B12 -102.3(6) . . . . ?
B14 B13 B17 B16 0.7(7) . . . . ?
B14 B13 B17 B18 37.9(5) . . . . ?
B14 B13 B18 B15 -38.7(5) . . . . ?
B14 B13 B18 B16 -101.2(6) . . . . ?
B14 B13 B18 B17 -137.7(6) . . . . ?
B14 B15 B16 B10 100.9(6) . . . . ?
B14 B15 B16 B11 64.5(7) . . . . ?
B14 B15 B16 B17 0.4(7) . . . . ?
B14 B15 B16 B18 -36.8(5) . . . . ?
B14 B15 B18 B13 38.8(5) . . . . ?
B14 B15 B18 B16 138.6(6) . . . . ?
B14 B15 B18 B17 102.0(6) . . . . ?
B15 C22 C23 Rh2 -124.2(5) . . . . ?
B15 C22 C23 C24 162.7(6) . . . . ?
B15 C22 C23 B12 -68.8(7) . . . . ?
B15 C22 C23 B13 -2.4(7) . . . . ?
B15 C22 C23 B14 39.6(6) . . . . ?
B15 C22 B10 Rh2 155.5(5) . . . . ?
B15 C22 B10 B11 100.5(6) . . . . ?
B15 C22 B10 B16 39.0(6) . . . . ?
B15 C22 B14 C23 -138.7(6) . . . . ?
B15 C22 B14 B13 -100.7(6) . . . . ?
B15 C22 B14 B18 -39.5(6) . . . . ?
B15 B10 B11 Rh2 111.8(5) . . . . ?
B15 B10 B11 B12 64.4(7) . . . . ?
B15 B10 B11 B16 -35.4(5) . . . . ?
B15 B10 B11 B17 3.0(7) . . . . ?
B15 B10 B16 B11 139.9(6) . . . . ?
B15 B10 B16 B17 101.3(6) . . . . ?
B15 B10 B16 B18 37.8(5) . . . . ?
B15 B14 B18 B13 -137.3(6) . . . . ?
B15 B14 B18 B16 -36.7(5) . . . . ?
B15 B14 B18 B17 -99.5(6) . . . . ?
B15 B16 B17 B11 103.0(6) . . . . ?
B15 B16 B17 B12 65.5(7) . . . . ?
B15 B16 B17 B13 -0.7(7) . . . . ?
B15 B16 B17 B18 -37.2(5) . . . . ?
B15 B16 B18 B13 101.8(6) . . . . ?
B15 B16 B18 B14 37.4(6) . . . . ?
B15 B16 B18 B17 138.4(6) . . . . ?
B16 B10 B11 Rh2 147.2(4) . . . . ?
B16 B10 B11 B12 99.8(6) . . . . ?
B16 B10 B11 B17 38.4(5) . . . . ?
B16 B10 B15 C22 -134.3(6) . . . . ?
B16 B10 B15 B14 -101.2(7) . . . . ?
B16 B10 B15 B18 -38.3(5) . . . . ?
B16 B11 B12 Rh2 112.6(5) . . . . ?
B16 B11 B12 C23 59.5(7) . . . . ?
B16 B11 B12 B13 1.5(7) . . . . ?
B16 B11 B12 B17 -36.2(5) . . . . ?
B16 B11 B17 B12 139.3(6) . . . . ?
B16 B11 B17 B13 99.6(6) . . . . ?
B16 B11 B17 B18 36.3(5) . . . . ?
B16 B15 B18 B13 -99.8(6) . . . . ?
B16 B15 B18 B14 -138.6(6) . . . . ?
B16 B15 B18 B17 -36.6(5) . . . . ?
B16 B17 B18 B13 138.8(6) . . . . ?
B16 B17 B18 B14 100.6(7) . . . . ?
B16 B17 B18 B15 36.5(5) . . . . ?
B17 B11 B12 Rh2 148.8(5) . . . . ?
B17 B11 B12 C23 95.7(6) . . . . ?
B17 B11 B12 B13 37.7(5) . . . . ?
B17 B11 B16 B10 -136.8(5) . . . . ?
B17 B11 B16 B15 -100.1(6) . . . . ?
B17 B11 B16 B18 -36.0(5) . . . . ?
B17 B12 B13 C23 135.6(6) . . . . ?
B17 B12 B13 B14 99.9(6) . . . . ?
B17 B12 B13 B18 36.2(6) . . . . ?
B17 B13 B14 C22 59.2(7) . . . . ?
B17 B13 B14 C23 98.8(6) . . . . ?
B17 B13 B14 B15 -0.5(7) . . . . ?
B17 B13 B14 B18 -38.4(5) . . . . ?
B17 B13 B18 B14 137.7(6) . . . . ?
B17 B13 B18 B15 99.0(6) . . . . ?
B17 B13 B18 B16 36.5(5) . . . . ?
B17 B16 B18 B13 -36.7(5) . . . . ?
B17 B16 B18 B14 -101.0(6) . . . . ?
B17 B16 B18 B15 -138.4(6) . . . . ?
B18 B13 B14 C22 97.6(6) . . . . ?
B18 B13 B14 C23 137.1(6) . . . . ?
B18 B13 B14 B15 37.8(5) . . . . ?
B18 B13 B17 B11 -100.8(7) . . . . ?
B18 B13 B17 B12 -140.2(6) . . . . ?
B18 B13 B17 B16 -37.1(6) . . . . ?
B18 B14 B15 C22 134.6(6) . . . . ?
B18 B14 B15 B10 101.3(7) . . . . ?
B18 B14 B15 B16 37.6(5) . . . . ?
B18 B15 B16 B10 137.8(6) . . . . ?
B18 B15 B16 B11 101.3(6) . . . . ?
B18 B15 B16 B17 37.2(5) . . . . ?
B18 B16 B17 B11 140.1(6) . . . . ?
B18 B16 B17 B12 102.6(6) . . . . ?
B18 B16 B17 B13 36.5(5) . . . . ?
Rh3 C43 C44 C45 -72.6(5) . . . . ?
Rh3 C43 C44 B21 55.8(4) . . . . ?
Rh3 C43 C44 B22 122.2(5) . . . . ?
Rh3 C43 C44 B23 163.8(4) . . . . ?
Rh3 C43 B19 B20 -54.8(4) . . . . ?
Rh3 C43 B19 B24 -156.1(5) . . . . ?
Rh3 C43 B19 B25 -116.7(5) . . . . ?
Rh3 C43 B23 C44 -18.0(5) . . . . ?
Rh3 C43 B23 B22 19.3(7) . . . . ?
Rh3 C43 B23 B24 121.3(6) . . . . ?
Rh3 C43 B23 B27 81.6(6) . . . . ?
Rh3 C43 B24 B19 29.8(6) . . . . ?
Rh3 C43 B24 B23 -114.2(6) . . . . ?
Rh3 C43 B24 B25 -11.2(9) . . . . ?
Rh3 C43 B24 B27 -74.2(8) . . . . ?
Rh3 C44 C45 C46 114.2(6) . . . . ?
Rh3 C44 B21 B20 56.8(4) . . . . ?
Rh3 C44 B21 B22 158.5(5) . . . . ?
Rh3 C44 B21 B26 119.1(5) . . . . ?
Rh3 C44 B22 B21 -24.9(5) . . . . ?
Rh3 C44 B22 B23 115.8(6) . . . . ?
Rh3 C44 B22 B26 14.4(8) . . . . ?
Rh3 C44 B22 B27 77.4(6) . . . . ?
Rh3 C44 B23 C43 18.5(5) . . . . ?
Rh3 C44 B23 B22 -117.1(6) . . . . ?
Rh3 C44 B23 B24 -16.4(7) . . . . ?
Rh3 C44 B23 B27 -78.6(6) . . . . ?
Rh3 C45 C46 C47 84.6(7) . . . . ?
Rh3 C45 C46 C51 -100.6(6) . . . . ?
Rh3 C56 C57 C58 100.6(8) . . . . ?
Rh3 C56 C63 C62 11.4(8) . . . . ?
Rh3 C57 C58 C59 41.6(8) . . . . ?
Rh3 C60 C61 C62 103.2(7) . . . . ?
Rh3 C61 C62 C63 37.2(8) . . . . ?
Rh3 B19 B20 B21 -48.5(4) . . . . ?
Rh3 B19 B20 B25 -146.8(5) . . . . ?
Rh3 B19 B20 B26 -110.1(5) . . . . ?
Rh3 B19 B24 C43 -23.6(4) . . . . ?
Rh3 B19 B24 B23 8.6(7) . . . . ?
Rh3 B19 B24 B25 109.4(5) . . . . ?
Rh3 B19 B24 B27 72.2(6) . . . . ?
Rh3 B19 B25 B20 35.2(5) . . . . ?
Rh3 B19 B25 B24 -103.8(6) . . . . ?
Rh3 B19 B25 B26 -2.0(8) . . . . ?
Rh3 B19 B25 B27 -66.6(7) . . . . ?
Rh3 B20 B21 C44 -53.0(4) . . . . ?
Rh3 B20 B21 B22 -111.6(5) . . . . ?
Rh3 B20 B21 B26 -149.1(5) . . . . ?
Rh3 B20 B25 B19 -33.9(5) . . . . ?
Rh3 B20 B25 B24 4.2(7) . . . . ?
Rh3 B20 B25 B26 104.5(5) . . . . ?
Rh3 B20 B25 B27 68.7(6) . . . . ?
Rh3 B20 B26 B21 30.3(4) . . . . ?
Rh3 B20 B26 B22 -7.8(7) . . . . ?
Rh3 B20 B26 B25 -107.1(5) . . . . ?
Rh3 B20 B26 B27 -71.7(6) . . . . ?
Rh3 B21 B22 C44 21.4(4) . . . . ?
Rh3 B21 B22 B23 -14.1(7) . . . . ?
Rh3 B21 B22 B26 -113.3(5) . . . . ?
Rh3 B21 B22 B27 -77.3(6) . . . . ?
Rh3 B21 B26 B20 -34.5(5) . . . . ?
Rh3 B21 B26 B22 103.9(6) . . . . ?
Rh3 B21 B26 B25 4.2(7) . . . . ?
Rh3 B21 B26 B27 67.7(7) . . . . ?
C43 C44 C45 Rh3 62.7(4) . . . . ?
C43 C44 C45 C46 176.9(6) . . . . ?
C43 C44 B21 Rh3 -55.7(4) . . . . ?
C43 C44 B21 B20 1.1(7) . . . . ?
C43 C44 B21 B22 102.8(6) . . . . ?
C43 C44 B21 B26 63.5(6) . . . . ?
C43 C44 B22 B21 -100.8(6) . . . . ?
C43 C44 B22 B23 39.9(5) . . . . ?
C43 C44 B22 B26 -61.5(6) . . . . ?
C43 C44 B22 B27 1.5(7) . . . . ?
C43 C44 B23 B22 -135.6(5) . . . . ?
C43 C44 B23 B24 -34.9(5) . . . . ?
C43 C44 B23 B27 -97.1(6) . . . . ?
C43 B19 B20 Rh3 52.1(4) . . . . ?
C43 B19 B20 B21 3.6(7) . . . . ?
C43 B19 B20 B25 -94.8(6) . . . . ?
C43 B19 B20 B26 -58.1(6) . . . . ?
C43 B19 B24 B23 32.2(5) . . . . ?
C43 B19 B24 B25 133.0(6) . . . . ?
C43 B19 B24 B27 95.8(6) . . . . ?
C43 B19 B25 B20 100.5(5) . . . . ?
C43 B19 B25 B24 -38.5(5) . . . . ?
C43 B19 B25 B26 63.2(7) . . . . ?
C43 B19 B25 B27 -1.3(7) . . . . ?
C43 B23 B24 B19 -32.5(5) . . . . ?
C43 B23 B24 B25 -96.4(6) . . . . ?
C43 B23 B24 B27 -133.9(6) . . . . ?
C43 B23 B27 B22 -98.5(6) . . . . ?
C43 B23 B27 B24 38.7(5) . . . . ?
C43 B23 B27 B25 2.1(7) . . . . ?
C43 B23 B27 B26 -61.3(7) . . . . ?
C43 B24 B25 B19 40.7(5) . . . . ?
C43 B24 B25 B20 2.9(8) . . . . ?
C43 B24 B25 B26 -60.8(7) . . . . ?
C43 B24 B25 B27 -98.5(6) . . . . ?
C43 B24 B27 B22 -1.0(7) . . . . ?
C43 B24 B27 B23 -39.4(5) . . . . ?
C43 B24 B27 B25 99.1(6) . . . . ?
C43 B24 B27 B26 62.1(7) . . . . ?
C44 C43 B19 Rh3 51.7(4) . . . . ?
C44 C43 B19 B20 -3.0(7) . . . . ?
C44 C43 B19 B24 -104.3(6) . . . . ?
C44 C43 B19 B25 -65.0(7) . . . . ?
C44 C43 B23 B22 37.3(5) . . . . ?
C44 C43 B23 B24 139.4(6) . . . . ?
C44 C43 B23 B27 99.6(5) . . . . ?
C44 C43 B24 B19 106.1(6) . . . . ?
C44 C43 B24 B23 -37.9(5) . . . . ?
C44 C43 B24 B25 65.1(7) . . . . ?
C44 C43 B24 B27 2.1(8) . . . . ?
C44 C45 C46 C47 6.4(10) . . . . ?
C44 C45 C46 C51 -178.9(6) . . . . ?
C44 B21 B22 B23 -35.5(5) . . . . ?
C44 B21 B22 B26 -134.7(6) . . . . ?
C44 B21 B22 B27 -98.7(6) . . . . ?
C44 B21 B26 B20 -101.3(5) . . . . ?
C44 B21 B26 B22 37.1(5) . . . . ?
C44 B21 B26 B25 -62.6(6) . . . . ?
C44 B21 B26 B27 1.0(7) . . . . ?
C44 B22 B23 C43 -38.3(5) . . . . ?
C44 B22 B23 B24 -98.2(6) . . . . ?
C44 B22 B23 B27 -136.2(6) . . . . ?
C44 B22 B26 B20 -2.5(7) . . . . ?
C44 B22 B26 B21 -40.7(5) . . . . ?
C44 B22 B26 B25 62.1(7) . . . . ?
C44 B22 B26 B27 99.3(6) . . . . ?
C44 B22 B27 B23 38.3(5) . . . . ?
C44 B22 B27 B24 -0.3(7) . . . . ?
C44 B22 B27 B25 -62.6(6) . . . . ?
C44 B22 B27 B26 -100.1(5) . . . . ?
C44 B23 B24 C43 35.7(5) . . . . ?
C44 B23 B24 B19 3.2(7) . . . . ?
C44 B23 B24 B25 -60.7(7) . . . . ?
C44 B23 B24 B27 -98.3(6) . . . . ?
C44 B23 B27 B22 -37.1(5) . . . . ?
C44 B23 B27 B24 100.1(6) . . . . ?
C44 B23 B27 B25 63.5(7) . . . . ?
C44 B23 B27 B26 0.2(7) . . . . ?
C45 C44 B21 Rh3 70.3(5) . . . . ?
C45 C44 B21 B20 127.1(6) . . . . ?
C45 C44 B21 B22 -131.2(7) . . . . ?
C45 C44 B21 B26 -170.6(5) . . . . ?
C45 C44 B22 B21 99.5(8) . . . . ?
C45 C44 B22 B23 -119.9(9) . . . . ?
C45 C44 B22 B26 138.8(8) . . . . ?
C45 C44 B22 B27 -158.2(7) . . . . ?
C45 C44 B23 C43 -94.5(7) . . . . ?
C45 C44 B23 B22 129.9(8) . . . . ?
C45 C44 B23 B24 -129.4(7) . . . . ?
C45 C44 B23 B27 168.5(6) . . . . ?
C45 C46 C47 C48 172.8(6) . . . . ?
C45 C46 C51 C50 -173.7(5) . . . . ?
C45 C46 C51 C52 6.8(9) . . . . ?
C46 C47 C48 C49 1.0(11) . . . . ?
C46 C51 C52 C53 179.0(7) . . . . ?
C47 C46 C51 C50 1.3(9) . . . . ?
C47 C46 C51 C52 -178.1(6) . . . . ?
C47 C48 C49 C50 0.9(11) . . . . ?
C48 C49 C50 C51 -1.6(10) . . . . ?
C48 C49 C50 C55 178.2(7) . . . . ?
C49 C50 C51 C46 0.5(9) . . . . ?
C49 C50 C51 C52 179.9(6) . . . . ?
C49 C50 C55 C54 -179.4(7) . . . . ?
C50 C51 C52 C53 -0.5(10) . . . . ?
C51 C46 C47 C48 -2.1(10) . . . . ?
C51 C50 C55 C54 0.4(11) . . . . ?
C51 C52 C53 C54 0.3(12) . . . . ?
C52 C53 C54 C55 0.2(13) . . . . ?
C53 C54 C55 C50 -0.6(12) . . . . ?
C55 C50 C51 C46 -179.4(6) . . . . ?
C55 C50 C51 C52 0.1(9) . . . . ?
C56 C57 C58 C59 -41.6(11) . . . . ?
C57 C56 C63 C62 91.6(9) . . . . ?
C57 C58 C59 C60 -36.3(9) . . . . ?
C58 C59 C60 Rh3 12.0(8) . . . . ?
C58 C59 C60 C61 94.5(9) . . . . ?
C59 C60 C61 Rh3 -105.5(8) . . . . ?
C59 C60 C61 C62 -2.2(12) . . . . ?
C60 C61 C62 C63 -45.0(10) . . . . ?
C61 C62 C63 C56 -32.3(9) . . . . ?
C63 C56 C57 Rh3 -103.3(6) . . . . ?
C63 C56 C57 C58 -2.7(12) . . . . ?
B19 C43 C44 Rh3 -54.5(5) . . . . ?
B19 C43 C44 C45 -127.1(6) . . . . ?
B19 C43 C44 B21 1.3(7) . . . . ?
B19 C43 C44 B22 67.7(7) . . . . ?
B19 C43 C44 B23 109.3(6) . . . . ?
B19 C43 B23 C44 -102.9(6) . . . . ?
B19 C43 B23 B22 -65.6(7) . . . . ?
B19 C43 B23 B24 36.5(6) . . . . ?
B19 C43 B23 B27 -3.3(7) . . . . ?
B19 C43 B24 B23 -144.0(5) . . . . ?
B19 C43 B24 B25 -41.0(5) . . . . ?
B19 C43 B24 B27 -104.0(6) . . . . ?
B19 B20 B21 Rh3 50.0(5) . . . . ?
B19 B20 B21 C44 -2.9(7) . . . . ?
B19 B20 B21 B22 -61.6(7) . . . . ?
B19 B20 B21 B26 -99.0(6) . . . . ?
B19 B20 B25 B24 38.1(6) . . . . ?
B19 B20 B25 B26 138.4(6) . . . . ?
B19 B20 B25 B27 102.6(6) . . . . ?
B19 B20 B26 B21 101.0(6) . . . . ?
B19 B20 B26 B22 62.9(7) . . . . ?
B19 B20 B26 B25 -36.4(5) . . . . ?
B19 B20 B26 B27 -1.0(7) . . . . ?
B19 B24 B25 B20 -37.8(5) . . . . ?
B19 B24 B25 B26 -101.5(6) . . . . ?
B19 B24 B25 B27 -139.2(6) . . . . ?
B19 B24 B27 B22 -63.3(7) . . . . ?
B19 B24 B27 B23 -101.7(6) . . . . ?
B19 B24 B27 B25 36.9(5) . . . . ?
B19 B24 B27 B26 -0.1(7) . . . . ?
B19 B25 B26 B20 37.8(6) . . . . ?
B19 B25 B26 B21 -1.1(8) . . . . ?
B19 B25 B26 B22 -65.7(7) . . . . ?
B19 B25 B26 B27 -103.0(6) . . . . ?
B19 B25 B27 B22 63.2(7) . . . . ?
B19 B25 B27 B23 -0.5(8) . . . . ?
B19 B25 B27 B24 -37.8(5) . . . . ?
B19 B25 B27 B26 100.6(6) . . . . ?
B20 B19 B24 C43 -96.3(6) . . . . ?
B20 B19 B24 B23 -64.1(7) . . . . ?
B20 B19 B24 B25 36.7(5) . . . . ?
B20 B19 B24 B27 -0.5(7) . . . . ?
B20 B19 B25 B24 -139.0(6) . . . . ?
B20 B19 B25 B26 -37.2(5) . . . . ?
B20 B19 B25 B27 -101.8(6) . . . . ?
B20 B21 B22 C44 97.3(5) . . . . ?
B20 B21 B22 B23 61.9(7) . . . . ?
B20 B21 B22 B26 -37.4(5) . . . . ?
B20 B21 B22 B27 -1.3(7) . . . . ?
B20 B21 B26 B22 138.4(6) . . . . ?
B20 B21 B26 B25 38.8(5) . . . . ?
B20 B21 B26 B27 102.3(6) . . . . ?
B20 B25 B26 B21 -38.9(5) . . . . ?
B20 B25 B26 B22 -103.5(6) . . . . ?
B20 B25 B26 B27 -140.8(5) . . . . ?
B20 B25 B27 B22 -2.1(7) . . . . ?
B20 B25 B27 B23 -65.7(7) . . . . ?
B20 B25 B27 B24 -103.0(6) . . . . ?
B20 B25 B27 B26 35.4(5) . . . . ?
B20 B26 B27 B22 102.1(6) . . . . ?
B20 B26 B27 B23 64.7(7) . . . . ?
B20 B26 B27 B24 0.7(7) . . . . ?
B20 B26 B27 B25 -35.9(5) . . . . ?
B21 C44 C45 Rh3 -61.4(4) . . . . ?
B21 C44 C45 C46 52.9(9) . . . . ?
B21 C44 B22 B23 140.6(6) . . . . ?
B21 C44 B22 B26 39.3(5) . . . . ?
B21 C44 B22 B27 102.3(6) . . . . ?
B21 C44 B23 C43 97.5(6) . . . . ?
B21 C44 B23 B22 -38.1(5) . . . . ?
B21 C44 B23 B24 62.6(7) . . . . ?
B21 C44 B23 B27 0.5(7) . . . . ?
B21 B20 B25 B19 -101.4(6) . . . . ?
B21 B20 B25 B24 -63.3(7) . . . . ?
B21 B20 B25 B26 37.0(5) . . . . ?
B21 B20 B25 B27 1.2(7) . . . . ?
B21 B20 B26 B22 -38.1(5) . . . . ?
B21 B20 B26 B25 -137.4(6) . . . . ?
B21 B20 B26 B27 -102.0(6) . . . . ?
B21 B22 B23 C43 -1.9(7) . . . . ?
B21 B22 B23 C44 36.4(5) . . . . ?
B21 B22 B23 B24 -61.8(7) . . . . ?
B21 B22 B23 B27 -99.7(6) . . . . ?
B21 B22 B26 B20 38.2(5) . . . . ?
B21 B22 B26 B25 102.7(6) . . . . ?
B21 B22 B26 B27 139.9(5) . . . . ?
B21 B22 B27 B23 103.0(6) . . . . ?
B21 B22 B27 B24 64.4(7) . . . . ?
B21 B22 B27 B25 2.1(7) . . . . ?
B21 B22 B27 B26 -35.4(5) . . . . ?
B21 B26 B27 B22 36.7(5) . . . . ?
B21 B26 B27 B23 -0.7(7) . . . . ?
B21 B26 B27 B24 -64.7(7) . . . . ?
B21 B26 B27 B25 -101.3(6) . . . . ?
B22 C44 C45 Rh3 -137.9(8) . . . . ?
B22 C44 C45 C46 -23.7(11) . . . . ?
B22 C44 B21 Rh3 -158.5(5) . . . . ?
B22 C44 B21 B20 -101.7(6) . . . . ?
B22 C44 B21 B26 -39.4(5) . . . . ?
B22 C44 B23 C43 135.6(5) . . . . ?
B22 C44 B23 B24 100.7(6) . . . . ?
B22 C44 B23 B27 38.6(5) . . . . ?
B22 B21 B26 B20 -138.4(6) . . . . ?
B22 B21 B26 B25 -99.7(6) . . . . ?
B22 B21 B26 B27 -36.2(5) . . . . ?
B22 B23 B24 C43 95.7(6) . . . . ?
B22 B23 B24 B19 63.2(7) . . . . ?
B22 B23 B24 B25 -0.7(7) . . . . ?
B22 B23 B24 B27 -38.3(5) . . . . ?
B22 B23 B27 B24 137.2(6) . . . . ?
B22 B23 B27 B25 100.6(6) . . . . ?
B22 B23 B27 B26 37.3(5) . . . . ?
B22 B26 B27 B23 -37.4(5) . . . . ?
B22 B26 B27 B24 -101.4(6) . . . . ?
B22 B26 B27 B25 -138.0(5) . . . . ?
B23 C43 C44 Rh3 -163.8(4) . . . . ?
B23 C43 C44 C45 123.6(6) . . . . ?
B23 C43 C44 B21 -108.0(6) . . . . ?
B23 C43 C44 B22 -41.5(5) . . . . ?
B23 C43 B19 Rh3 119.6(5) . . . . ?
B23 C43 B19 B20 64.9(7) . . . . ?
B23 C43 B19 B24 -36.4(6) . . . . ?
B23 C43 B19 B25 2.9(7) . . . . ?
B23 C43 B24 B19 144.0(5) . . . . ?
B23 C43 B24 B25 103.0(6) . . . . ?
B23 C43 B24 B27 39.9(5) . . . . ?
B23 C44 C45 Rh3 130.8(7) . . . . ?
B23 C44 C45 C46 -115.0(8) . . . . ?
B23 C44 B21 Rh3 -120.0(5) . . . . ?
B23 C44 B21 B20 -63.3(7) . . . . ?
B23 C44 B21 B22 38.5(6) . . . . ?
B23 C44 B21 B26 -0.9(7) . . . . ?
B23 C44 B22 B21 -140.6(6) . . . . ?
B23 C44 B22 B26 -101.4(6) . . . . ?
B23 C44 B22 B27 -38.3(5) . . . . ?
B23 B22 B26 B20 -64.8(7) . . . . ?
B23 B22 B26 B21 -103.0(6) . . . . ?
B23 B22 B26 B25 -0.2(7) . . . . ?
B23 B22 B26 B27 37.0(5) . . . . ?
B23 B22 B27 B24 -38.5(5) . . . . ?
B23 B22 B27 B25 -100.9(6) . . . . ?
B23 B22 B27 B26 -138.3(6) . . . . ?
B23 B24 B25 B19 102.1(6) . . . . ?
B23 B24 B25 B20 64.3(7) . . . . ?
B23 B24 B25 B26 0.6(7) . . . . ?
B23 B24 B25 B27 -37.1(5) . . . . ?
B23 B24 B27 B22 38.4(5) . . . . ?
B23 B24 B27 B25 138.6(6) . . . . ?
B23 B24 B27 B26 101.6(6) . . . . ?
B24 C43 C44 Rh3 -124.6(5) . . . . ?
B24 C43 C44 C45 162.8(6) . . . . ?
B24 C43 C44 B21 -68.8(7) . . . . ?
B24 C43 C44 B22 -2.4(7) . . . . ?
B24 C43 C44 B23 39.2(6) . . . . ?
B24 C43 B19 Rh3 156.1(5) . . . . ?
B24 C43 B19 B20 101.3(6) . . . . ?
B24 C43 B19 B25 39.4(5) . . . . ?
B24 C43 B23 C44 -139.4(6) . . . . ?
B24 C43 B23 B22 -102.1(6) . . . . ?
B24 C43 B23 B27 -39.7(5) . . . . ?
B24 B19 B20 Rh3 111.0(5) . . . . ?
B24 B19 B20 B21 62.5(7) . . . . ?
B24 B19 B20 B25 -35.8(5) . . . . ?
B24 B19 B20 B26 0.9(7) . . . . ?
B24 B19 B25 B20 139.0(6) . . . . ?
B24 B19 B25 B26 101.7(6) . . . . ?
B24 B19 B25 B27 37.1(5) . . . . ?
B24 B23 B27 B22 -137.2(6) . . . . ?
B24 B23 B27 B25 -36.6(5) . . . . ?
B24 B23 B27 B26 -99.9(6) . . . . ?
B24 B25 B26 B20 103.3(6) . . . . ?
B24 B25 B26 B21 64.3(7) . . . . ?
B24 B25 B26 B22 -0.2(7) . . . . ?
B24 B25 B26 B27 -37.5(5) . . . . ?
B24 B25 B27 B22 100.9(6) . . . . ?
B24 B25 B27 B23 37.3(5) . . . . ?
B24 B25 B27 B26 138.4(5) . . . . ?
B25 B19 B20 Rh3 146.8(5) . . . . ?
B25 B19 B20 B21 98.3(6) . . . . ?
B25 B19 B20 B26 36.7(5) . . . . ?
B25 B19 B24 C43 -133.0(6) . . . . ?
B25 B19 B24 B23 -100.8(6) . . . . ?
B25 B19 B24 B27 -37.1(5) . . . . ?
B25 B20 B21 Rh3 111.7(5) . . . . ?
B25 B20 B21 C44 58.8(6) . . . . ?
B25 B20 B21 B22 0.1(7) . . . . ?
B25 B20 B21 B26 -37.4(5) . . . . ?
B25 B20 B26 B21 137.4(6) . . . . ?
B25 B20 B26 B22 99.3(6) . . . . ?
B25 B20 B26 B27 35.4(5) . . . . ?
B25 B24 B27 B22 -100.2(6) . . . . ?
B25 B24 B27 B23 -138.6(6) . . . . ?
B25 B24 B27 B26 -37.0(5) . . . . ?
B25 B26 B27 B22 138.0(5) . . . . ?
B25 B26 B27 B23 100.6(6) . . . . ?
B25 B26 B27 B24 36.6(5) . . . . ?
B26 B20 B21 Rh3 149.1(5) . . . . ?
B26 B20 B21 C44 96.1(6) . . . . ?
B26 B20 B21 B22 37.4(5) . . . . ?
B26 B20 B25 B19 -138.4(6) . . . . ?
B26 B20 B25 B24 -100.3(6) . . . . ?
B26 B20 B25 B27 -35.7(5) . . . . ?
B26 B21 B22 C44 134.7(6) . . . . ?
B26 B21 B22 B23 99.2(6) . . . . ?
B26 B21 B22 B27 36.0(5) . . . . ?
B26 B22 B23 C43 60.5(6) . . . . ?
B26 B22 B23 C44 98.8(6) . . . . ?
B26 B22 B23 B24 0.6(7) . . . . ?
B26 B22 B23 B27 -37.4(5) . . . . ?
B26 B22 B27 B23 138.3(6) . . . . ?
B26 B22 B27 B24 99.8(6) . . . . ?
B26 B22 B27 B25 37.4(5) . . . . ?
B26 B25 B27 B22 -37.4(5) . . . . ?
B26 B25 B27 B23 -101.1(6) . . . . ?
B26 B25 B27 B24 -138.4(5) . . . . ?
B27 B22 B23 C43 97.8(6) . . . . ?
B27 B22 B23 C44 136.2(6) . . . . ?
B27 B22 B23 B24 38.0(5) . . . . ?
B27 B22 B26 B20 -101.7(6) . . . . ?
B27 B22 B26 B21 -139.9(5) . . . . ?
B27 B22 B26 B25 -37.2(5) . . . . ?
B27 B23 B24 C43 133.9(6) . . . . ?
B27 B23 B24 B19 101.4(6) . . . . ?
B27 B23 B24 B25 37.5(5) . . . . ?
B27 B24 B25 B19 139.2(6) . . . . ?
B27 B24 B25 B20 101.4(6) . . . . ?
B27 B24 B25 B26 37.7(5) . . . . ?
B27 B25 B26 B20 140.8(5) . . . . ?
B27 B25 B26 B21 101.9(6) . . . . ?
B27 B25 B26 B22 37.3(5) . . . . ?
Rh4 C64 C65 C66 -71.8(4) . . . . ?
Rh4 C64 C65 B30 55.6(4) . . . . ?
Rh4 C64 C65 B31 122.5(4) . . . . ?
Rh4 C64 C65 B32 164.9(4) . . . . ?
Rh4 C64 B28 B29 -53.9(4) . . . . ?
Rh4 C64 B28 B33 -155.8(4) . . . . ?
Rh4 C64 B28 B34 -117.2(4) . . . . ?
Rh4 C64 B32 C65 -16.3(5) . . . . ?
Rh4 C64 B32 B31 20.7(7) . . . . ?
Rh4 C64 B32 B33 122.1(5) . . . . ?
Rh4 C64 B32 B36 83.2(6) . . . . ?
Rh4 C64 B33 B28 30.5(5) . . . . ?
Rh4 C64 B33 B32 -111.8(6) . . . . ?
Rh4 C64 B33 B34 -8.4(8) . . . . ?
Rh4 C64 B33 B36 -71.8(7) . . . . ?
Rh4 C65 C66 C67 108.3(6) . . . . ?
Rh4 C65 B30 B29 56.9(4) . . . . ?
Rh4 C65 B30 B31 159.7(4) . . . . ?
Rh4 C65 B30 B35 119.6(5) . . . . ?
Rh4 C65 B31 B30 -23.8(5) . . . . ?
Rh4 C65 B31 B32 116.1(6) . . . . ?
Rh4 C65 B31 B35 15.6(7) . . . . ?
Rh4 C65 B31 B36 78.0(6) . . . . ?
Rh4 C65 B32 C64 16.9(5) . . . . ?
Rh4 C65 B32 B31 -119.2(5) . . . . ?
Rh4 C65 B32 B33 -18.8(7) . . . . ?
Rh4 C65 B32 B36 -80.3(6) . . . . ?
Rh4 C66 C67 C68 81.1(7) . . . . ?
Rh4 C66 C67 C72 -100.0(6) . . . . ?
Rh4 C77 C78 C79 102.1(7) . . . . ?
Rh4 C77 C84 C83 9.2(7) . . . . ?
Rh4 C78 C79 C80 37.8(7) . . . . ?
Rh4 C81 C82 C83 105.2(6) . . . . ?
Rh4 C82 C83 C84 33.2(7) . . . . ?
Rh4 B28 B29 B30 -48.9(4) . . . . ?
Rh4 B28 B29 B34 -147.6(4) . . . . ?
Rh4 B28 B29 B35 -109.6(4) . . . . ?
Rh4 B28 B33 C64 -24.0(4) . . . . ?
Rh4 B28 B33 B32 9.5(6) . . . . ?
Rh4 B28 B33 B34 111.3(5) . . . . ?
Rh4 B28 B33 B36 73.2(6) . . . . ?
Rh4 B28 B34 B29 35.1(5) . . . . ?
Rh4 B28 B34 B33 -104.0(5) . . . . ?
Rh4 B28 B34 B35 -3.2(7) . . . . ?
Rh4 B28 B34 B36 -66.8(6) . . . . ?
Rh4 B29 B30 C65 -52.9(3) . . . . ?
Rh4 B29 B30 B31 -110.8(5) . . . . ?
Rh4 B29 B30 B35 -148.7(4) . . . . ?
Rh4 B29 B34 B28 -33.4(4) . . . . ?
Rh4 B29 B34 B33 4.0(7) . . . . ?
Rh4 B29 B34 B35 103.4(5) . . . . ?
Rh4 B29 B34 B36 67.0(6) . . . . ?
Rh4 B29 B35 B30 30.6(4) . . . . ?
Rh4 B29 B35 B31 -7.8(7) . . . . ?
Rh4 B29 B35 B34 -108.6(5) . . . . ?
Rh4 B29 B35 B36 -72.4(6) . . . . ?
Rh4 B30 B31 C65 20.0(4) . . . . ?
Rh4 B30 B31 B32 -15.3(7) . . . . ?
Rh4 B30 B31 B35 -113.8(5) . . . . ?
Rh4 B30 B31 B36 -77.7(6) . . . . ?
Rh4 B30 B35 B29 -35.0(5) . . . . ?
Rh4 B30 B35 B31 103.4(5) . . . . ?
Rh4 B30 B35 B34 2.2(7) . . . . ?
Rh4 B30 B35 B36 66.4(7) . . . . ?
C64 C65 C66 Rh4 62.0(4) . . . . ?
C64 C65 C66 C67 170.3(6) . . . . ?
C64 C65 B30 Rh4 -54.8(4) . . . . ?
C64 C65 B30 B29 2.1(6) . . . . ?
C64 C65 B30 B31 105.0(5) . . . . ?
C64 C65 B30 B35 64.8(6) . . . . ?
C64 C65 B31 B30 -99.7(5) . . . . ?
C64 C65 B31 B32 40.2(5) . . . . ?
C64 C65 B31 B35 -60.3(6) . . . . ?
C64 C65 B31 B36 2.0(6) . . . . ?
C64 C65 B32 B31 -136.1(5) . . . . ?
C64 C65 B32 B33 -35.7(5) . . . . ?
C64 C65 B32 B36 -97.2(5) . . . . ?
C64 B28 B29 Rh4 50.8(4) . . . . ?
C64 B28 B29 B30 1.9(6) . . . . ?
C64 B28 B29 B34 -96.8(5) . . . . ?
C64 B28 B29 B35 -58.8(6) . . . . ?
C64 B28 B33 B32 33.4(5) . . . . ?
C64 B28 B33 B34 135.3(5) . . . . ?
C64 B28 B33 B36 97.2(5) . . . . ?
C64 B28 B34 B29 101.6(5) . . . . ?
C64 B28 B34 B33 -37.6(5) . . . . ?
C64 B28 B34 B35 63.3(6) . . . . ?
C64 B28 B34 B36 -0.3(6) . . . . ?
C64 B32 B33 B28 -33.4(5) . . . . ?
C64 B32 B33 B34 -96.5(5) . . . . ?
C64 B32 B33 B36 -134.5(5) . . . . ?
C64 B32 B36 B31 -100.1(5) . . . . ?
C64 B32 B36 B33 38.1(5) . . . . ?
C64 B32 B36 B34 0.8(7) . . . . ?
C64 B32 B36 B35 -62.5(6) . . . . ?
C64 B33 B34 B28 38.5(5) . . . . ?
C64 B33 B34 B29 1.6(7) . . . . ?
C64 B33 B34 B35 -61.8(6) . . . . ?
C64 B33 B34 B36 -99.4(5) . . . . ?
C64 B33 B36 B31 -1.5(7) . . . . ?
C64 B33 B36 B32 -39.3(5) . . . . ?
C64 B33 B36 B34 99.0(5) . . . . ?
C64 B33 B36 B35 61.6(6) . . . . ?
C65 C64 B28 Rh4 53.2(4) . . . . ?
C65 C64 B28 B29 -0.6(6) . . . . ?
C65 C64 B28 B33 -102.5(5) . . . . ?
C65 C64 B28 B34 -63.9(6) . . . . ?
C65 C64 B32 B31 37.0(4) . . . . ?
C65 C64 B32 B33 138.5(5) . . . . ?
C65 C64 B32 B36 99.6(5) . . . . ?
C65 C64 B33 B28 105.2(5) . . . . ?
C65 C64 B33 B32 -37.1(5) . . . . ?
C65 C64 B33 B34 66.3(6) . . . . ?
C65 C64 B33 B36 2.8(6) . . . . ?
C65 C66 C67 C68 4.7(10) . . . . ?
C65 C66 C67 C72 -176.4(6) . . . . ?
C65 B30 B31 B32 -35.3(5) . . . . ?
C65 B30 B31 B35 -133.8(5) . . . . ?
C65 B30 B31 B36 -97.7(5) . . . . ?
C65 B30 B35 B29 -101.0(5) . . . . ?
C65 B30 B35 B31 37.4(4) . . . . ?
C65 B30 B35 B34 -63.9(6) . . . . ?
C65 B30 B35 B36 0.3(7) . . . . ?
C65 B31 B32 C64 -39.0(5) . . . . ?
C65 B31 B32 B33 -99.1(5) . . . . ?
C65 B31 B32 B36 -135.8(5) . . . . ?
C65 B31 B35 B29 -3.0(7) . . . . ?
C65 B31 B35 B30 -41.5(5) . . . . ?
C65 B31 B35 B34 61.6(7) . . . . ?
C65 B31 B35 B36 97.9(5) . . . . ?
C65 B31 B36 B32 37.7(5) . . . . ?
C65 B31 B36 B33 -0.3(7) . . . . ?
C65 B31 B36 B34 -63.8(6) . . . . ?
C65 B31 B36 B35 -99.9(5) . . . . ?
C65 B32 B33 C64 37.3(5) . . . . ?
C65 B32 B33 B28 3.9(7) . . . . ?
C65 B32 B33 B34 -59.2(6) . . . . ?
C65 B32 B33 B36 -97.2(6) . . . . ?
C65 B32 B36 B31 -37.1(5) . . . . ?
C65 B32 B36 B33 101.2(5) . . . . ?
C65 B32 B36 B34 63.9(6) . . . . ?
C65 B32 B36 B35 0.6(7) . . . . ?
C66 C65 B30 Rh4 66.6(5) . . . . ?
C66 C65 B30 B29 123.5(6) . . . . ?
C66 C65 B30 B31 -133.6(7) . . . . ?
C66 C65 B30 B35 -173.8(6) . . . . ?
C66 C65 B31 B30 101.3(8) . . . . ?
C66 C65 B31 B32 -118.8(9) . . . . ?
C66 C65 B31 B35 140.8(8) . . . . ?
C66 C65 B31 B36 -156.9(7) . . . . ?
C66 C65 B32 C64 -90.0(7) . . . . ?
C66 C65 B32 B31 133.9(7) . . . . ?
C66 C65 B32 B33 -125.8(7) . . . . ?
C66 C65 B32 B36 172.7(6) . . . . ?
C66 C67 C68 C69 -176.6(6) . . . . ?
C66 C67 C72 C71 175.8(5) . . . . ?
C66 C67 C72 C73 -3.3(9) . . . . ?
C67 C68 C69 C70 -1.3(11) . . . . ?
C67 C72 C73 C74 178.0(7) . . . . ?
C68 C67 C72 C71 -5.3(9) . . . . ?
C68 C67 C72 C73 175.6(6) . . . . ?
C68 C69 C70 C71 -1.1(11) . . . . ?
C69 C70 C71 C72 0.2(10) . . . . ?
C69 C70 C71 C76 -179.5(7) . . . . ?
C70 C71 C72 C67 3.0(9) . . . . ?
C70 C71 C72 C73 -177.8(6) . . . . ?
C70 C71 C76 C75 179.5(7) . . . . ?
C71 C72 C73 C74 -1.1(10) . . . . ?
C72 C67 C68 C69 4.5(10) . . . . ?
C72 C71 C76 C75 -0.2(10) . . . . ?
C72 C73 C74 C75 -1.2(11) . . . . ?
C73 C74 C75 C76 2.8(12) . . . . ?
C74 C75 C76 C71 -2.1(11) . . . . ?
C76 C71 C72 C67 -177.4(6) . . . . ?
C76 C71 C72 C73 1.8(9) . . . . ?
C77 C78 C79 C80 -46.2(10) . . . . ?
C78 C77 C84 C83 89.9(8) . . . . ?
C78 C79 C80 C81 -32.1(9) . . . . ?
C79 C80 C81 Rh4 9.7(8) . . . . ?
C79 C80 C81 C82 92.1(8) . . . . ?
C80 C81 C82 Rh4 -106.1(6) . . . . ?
C80 C81 C82 C83 -0.9(10) . . . . ?
C81 C82 C83 C84 -49.7(9) . . . . ?
C82 C83 C84 C77 -27.7(8) . . . . ?
C84 C77 C78 Rh4 -104.5(6) . . . . ?
C84 C77 C78 C79 -2.3(11) . . . . ?
B28 C64 C65 Rh4 -56.6(4) . . . . ?
B28 C64 C65 C66 -128.4(5) . . . . ?
B28 C64 C65 B30 -1.0(6) . . . . ?
B28 C64 C65 B31 65.9(6) . . . . ?
B28 C64 C65 B32 108.3(5) . . . . ?
B28 C64 B32 C65 -100.7(5) . . . . ?
B28 C64 B32 B31 -63.7(7) . . . . ?
B28 C64 B32 B33 37.8(5) . . . . ?
B28 C64 B32 B36 -1.1(7) . . . . ?
B28 C64 B33 B32 -142.3(5) . . . . ?
B28 C64 B33 B34 -38.9(5) . . . . ?
B28 C64 B33 B36 -102.4(5) . . . . ?
B28 B29 B30 Rh4 50.4(4) . . . . ?
B28 B29 B30 C65 -2.5(6) . . . . ?
B28 B29 B30 B31 -60.4(6) . . . . ?
B28 B29 B30 B35 -98.3(5) . . . . ?
B28 B29 B34 B33 37.4(5) . . . . ?
B28 B29 B34 B35 136.8(5) . . . . ?
B28 B29 B34 B36 100.4(6) . . . . ?
B28 B29 B35 B30 101.5(5) . . . . ?
B28 B29 B35 B31 63.1(6) . . . . ?
B28 B29 B35 B34 -37.8(5) . . . . ?
B28 B29 B35 B36 -1.5(7) . . . . ?
B28 B33 B34 B29 -36.9(5) . . . . ?
B28 B33 B34 B35 -100.3(6) . . . . ?
B28 B33 B34 B36 -137.9(5) . . . . ?
B28 B33 B36 B31 -63.1(6) . . . . ?
B28 B33 B36 B32 -100.9(5) . . . . ?
B28 B33 B36 B34 37.4(5) . . . . ?
B28 B33 B36 B35 0.0(7) . . . . ?
B28 B34 B35 B29 38.3(5) . . . . ?
B28 B34 B35 B30 0.7(7) . . . . ?
B28 B34 B35 B31 -64.9(7) . . . . ?
B28 B34 B35 B36 -101.5(6) . . . . ?
B28 B34 B36 B31 63.8(6) . . . . ?
B28 B34 B36 B32 -0.3(7) . . . . ?
B28 B34 B36 B33 -38.1(5) . . . . ?
B28 B34 B36 B35 99.8(6) . . . . ?
B29 B28 B33 C64 -98.1(5) . . . . ?
B29 B28 B33 B32 -64.7(6) . . . . ?
B29 B28 B33 B34 37.2(5) . . . . ?
B29 B28 B33 B36 -1.0(7) . . . . ?
B29 B28 B34 B33 -139.1(5) . . . . ?
B29 B28 B34 B35 -38.3(5) . . . . ?
B29 B28 B34 B36 -101.9(6) . . . . ?
B29 B30 B31 C65 96.0(5) . . . . ?
B29 B30 B31 B32 60.7(6) . . . . ?
B29 B30 B31 B35 -37.8(5) . . . . ?
B29 B30 B31 B36 -1.7(6) . . . . ?
B29 B30 B35 B31 138.4(5) . . . . ?
B29 B30 B35 B34 37.2(5) . . . . ?
B29 B30 B35 B36 101.4(6) . . . . ?
B29 B34 B35 B30 -37.7(5) . . . . ?
B29 B34 B35 B31 -103.2(6) . . . . ?
B29 B34 B35 B36 -139.8(5) . . . . ?
B29 B34 B36 B31 0.2(7) . . . . ?
B29 B34 B36 B32 -63.9(6) . . . . ?
B29 B34 B36 B33 -101.7(5) . . . . ?
B29 B34 B36 B35 36.2(5) . . . . ?
B29 B35 B36 B31 103.2(6) . . . . ?
B29 B35 B36 B32 65.2(7) . . . . ?
B29 B35 B36 B33 1.0(7) . . . . ?
B29 B35 B36 B34 -36.5(5) . . . . ?
B30 C65 C66 Rh4 -59.6(4) . . . . ?
B30 C65 C66 C67 48.7(9) . . . . ?
B30 C65 B31 B32 139.9(5) . . . . ?
B30 C65 B31 B35 39.4(5) . . . . ?
B30 C65 B31 B36 101.8(5) . . . . ?
B30 C65 B32 C64 96.8(5) . . . . ?
B30 C65 B32 B31 -39.2(5) . . . . ?
B30 C65 B32 B33 61.1(7) . . . . ?
B30 C65 B32 B36 -0.4(7) . . . . ?
B30 B29 B34 B28 -101.7(5) . . . . ?
B30 B29 B34 B33 -64.2(6) . . . . ?
B30 B29 B34 B35 35.2(5) . . . . ?
B30 B29 B34 B36 -1.2(6) . . . . ?
B30 B29 B35 B31 -38.4(5) . . . . ?
B30 B29 B35 B34 -139.3(5) . . . . ?
B30 B29 B35 B36 -103.1(6) . . . . ?
B30 B31 B32 C64 -2.0(7) . . . . ?
B30 B31 B32 C65 37.0(5) . . . . ?
B30 B31 B32 B33 -62.0(6) . . . . ?
B30 B31 B32 B36 -98.8(6) . . . . ?
B30 B31 B35 B29 38.5(5) . . . . ?
B30 B31 B35 B34 103.1(6) . . . . ?
B30 B31 B35 B36 139.4(5) . . . . ?
B30 B31 B36 B32 102.4(5) . . . . ?
B30 B31 B36 B33 64.4(6) . . . . ?
B30 B31 B36 B34 0.9(7) . . . . ?
B30 B31 B36 B35 -35.2(5) . . . . ?
B30 B35 B36 B31 37.5(5) . . . . ?
B30 B35 B36 B32 -0.6(7) . . . . ?
B30 B35 B36 B33 -64.8(7) . . . . ?
B30 B35 B36 B34 -102.2(6) . . . . ?
B31 C65 C66 Rh4 -138.7(8) . . . . ?
B31 C65 C66 C67 -30.4(12) . . . . ?
B31 C65 B30 Rh4 -159.7(4) . . . . ?
B31 C65 B30 B29 -102.9(5) . . . . ?
B31 C65 B30 B35 -40.2(5) . . . . ?
B31 C65 B32 C64 136.1(5) . . . . ?
B31 C65 B32 B33 100.3(6) . . . . ?
B31 C65 B32 B36 38.8(5) . . . . ?
B31 B30 B35 B29 -138.4(5) . . . . ?
B31 B30 B35 B34 -101.2(6) . . . . ?
B31 B30 B35 B36 -37.0(5) . . . . ?
B31 B32 B33 C64 97.1(5) . . . . ?
B31 B32 B33 B28 63.7(6) . . . . ?
B31 B32 B33 B34 0.6(7) . . . . ?
B31 B32 B33 B36 -37.4(5) . . . . ?
B31 B32 B36 B33 138.3(5) . . . . ?
B31 B32 B36 B34 101.0(6) . . . . ?
B31 B32 B36 B35 37.7(5) . . . . ?
B31 B35 B36 B32 -38.0(5) . . . . ?
B31 B35 B36 B33 -102.2(5) . . . . ?
B31 B35 B36 B34 -139.7(5) . . . . ?
B32 C64 C65 Rh4 -164.9(4) . . . . ?
B32 C64 C65 C66 123.3(6) . . . . ?
B32 C64 C65 B30 -109.3(5) . . . . ?
B32 C64 C65 B31 -42.4(5) . . . . ?
B32 C64 B28 Rh4 118.1(5) . . . . ?
B32 C64 B28 B29 64.2(6) . . . . ?
B32 C64 B28 B33 -37.7(5) . . . . ?
B32 C64 B28 B34 0.9(7) . . . . ?
B32 C64 B33 B28 142.3(5) . . . . ?
B32 C64 B33 B34 103.4(6) . . . . ?
B32 C64 B33 B36 39.9(5) . . . . ?
B32 C65 C66 Rh4 127.4(7) . . . . ?
B32 C65 C66 C67 -124.3(7) . . . . ?
B32 C65 B30 Rh4 -119.5(5) . . . . ?
B32 C65 B30 B29 -62.6(6) . . . . ?
B32 C65 B30 B31 40.2(5) . . . . ?
B32 C65 B30 B35 0.0(7) . . . . ?
B32 C65 B31 B30 -139.9(5) . . . . ?
B32 C65 B31 B35 -100.5(6) . . . . ?
B32 C65 B31 B36 -38.1(5) . . . . ?
B32 B31 B35 B29 -63.7(6) . . . . ?
B32 B31 B35 B30 -102.2(5) . . . . ?
B32 B31 B35 B34 0.9(7) . . . . ?
B32 B31 B35 B36 37.2(5) . . . . ?
B32 B31 B36 B33 -37.9(5) . . . . ?
B32 B31 B36 B34 -101.4(6) . . . . ?
B32 B31 B36 B35 -137.6(6) . . . . ?
B32 B33 B34 B28 100.3(5) . . . . ?
B32 B33 B34 B29 63.4(6) . . . . ?
B32 B33 B34 B35 0.0(7) . . . . ?
B32 B33 B34 B36 -37.6(5) . . . . ?
B32 B33 B36 B31 37.8(5) . . . . ?
B32 B33 B36 B34 138.3(5) . . . . ?
B32 B33 B36 B35 100.9(6) . . . . ?
B33 C64 C65 Rh4 -125.7(5) . . . . ?
B33 C64 C65 C66 162.5(5) . . . . ?
B33 C64 C65 B30 -70.1(6) . . . . ?
B33 C64 C65 B31 -3.2(7) . . . . ?
B33 C64 C65 B32 39.2(5) . . . . ?
B33 C64 B28 Rh4 155.8(4) . . . . ?
B33 C64 B28 B29 101.9(5) . . . . ?
B33 C64 B28 B34 38.6(5) . . . . ?
B33 C64 B32 C65 -138.5(5) . . . . ?
B33 C64 B32 B31 -101.5(5) . . . . ?
B33 C64 B32 B36 -38.9(5) . . . . ?
B33 B28 B29 Rh4 111.1(4) . . . . ?
B33 B28 B29 B30 62.3(6) . . . . ?
B33 B28 B29 B34 -36.5(5) . . . . ?
B33 B28 B29 B35 1.5(6) . . . . ?
B33 B28 B34 B29 139.1(5) . . . . ?
B33 B28 B34 B35 100.8(6) . . . . ?
B33 B28 B34 B36 37.2(5) . . . . ?
B33 B32 B36 B31 -138.3(5) . . . . ?
B33 B32 B36 B34 -37.3(5) . . . . ?
B33 B32 B36 B35 -100.6(6) . . . . ?
B33 B34 B35 B29 102.6(5) . . . . ?
B33 B34 B35 B30 65.0(7) . . . . ?
B33 B34 B35 B31 -0.6(7) . . . . ?
B33 B34 B35 B36 -37.1(5) . . . . ?
B33 B34 B36 B31 101.9(6) . . . . ?
B33 B34 B36 B32 37.8(5) . . . . ?
B33 B34 B36 B35 137.9(5) . . . . ?
B34 B28 B29 Rh4 147.6(4) . . . . ?
B34 B28 B29 B30 98.8(5) . . . . ?
B34 B28 B29 B35 38.0(5) . . . . ?
B34 B28 B33 C64 -135.3(5) . . . . ?
B34 B28 B33 B32 -101.8(6) . . . . ?
B34 B28 B33 B36 -38.1(5) . . . . ?
B34 B29 B30 Rh4 112.7(4) . . . . ?
B34 B29 B30 C65 59.8(6) . . . . ?
B34 B29 B30 B31 1.8(6) . . . . ?
B34 B29 B30 B35 -36.0(5) . . . . ?
B34 B29 B35 B30 139.3(5) . . . . ?
B34 B29 B35 B31 100.8(6) . . . . ?
B34 B29 B35 B36 36.2(5) . . . . ?
B34 B33 B36 B31 -100.6(6) . . . . ?
B34 B33 B36 B32 -138.3(5) . . . . ?
B34 B33 B36 B35 -37.4(5) . . . . ?
B34 B35 B36 B31 139.7(5) . . . . ?
B34 B35 B36 B32 101.6(6) . . . . ?
B34 B35 B36 B33 37.4(5) . . . . ?
B35 B29 B30 Rh4 148.7(4) . . . . ?
B35 B29 B30 C65 95.8(5) . . . . ?
B35 B29 B30 B31 37.8(5) . . . . ?
B35 B29 B34 B28 -136.8(5) . . . . ?
B35 B29 B34 B33 -99.4(6) . . . . ?
B35 B29 B34 B36 -36.4(5) . . . . ?
B35 B30 B31 C65 133.8(5) . . . . ?
B35 B30 B31 B32 98.5(6) . . . . ?
B35 B30 B31 B36 36.1(5) . . . . ?
B35 B31 B32 C64 59.2(6) . . . . ?
B35 B31 B32 C65 98.1(5) . . . . ?
B35 B31 B32 B33 -0.9(7) . . . . ?
B35 B31 B32 B36 -37.7(5) . . . . ?
B35 B31 B36 B32 137.6(6) . . . . ?
B35 B31 B36 B33 99.6(6) . . . . ?
B35 B31 B36 B34 36.1(5) . . . . ?
B35 B34 B36 B31 -36.0(5) . . . . ?
B35 B34 B36 B32 -100.1(6) . . . . ?
B35 B34 B36 B33 -137.9(5) . . . . ?
B36 B31 B32 C64 96.8(6) . . . . ?
B36 B31 B32 C65 135.8(5) . . . . ?
B36 B31 B32 B33 36.7(5) . . . . ?
B36 B31 B35 B29 -100.9(6) . . . . ?
B36 B31 B35 B30 -139.4(5) . . . . ?
B36 B31 B35 B34 -36.3(5) . . . . ?
B36 B32 B33 C64 134.5(5) . . . . ?
B36 B32 B33 B28 101.1(6) . . . . ?
B36 B32 B33 B34 38.0(5) . . . . ?
B36 B33 B34 B28 137.9(5) . . . . ?
B36 B33 B34 B29 101.0(6) . . . . ?
B36 B33 B34 B35 37.6(5) . . . . ?
B36 B34 B35 B29 139.8(5) . . . . ?
B36 B34 B35 B30 102.1(6) . . . . ?
B36 B34 B35 B31 36.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
