#------------------------------------------------------------------------------
#$Date: 2024-07-05 16:53:59 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/16/1571658.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1571658
loop_
_publ_author_name
'Liu, Xin-Ran'
'Cui, Peng-Fei'
'García-Rodeja, Yago'
'Solà, Miquel'
'Jin, Guo-Xin'
_publ_section_title
;
 Formation and reactivity of a unique M⋯C-H interaction stabilized
 by carborane cages.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              9274
_journal_page_last               9280
_journal_paper_doi               10.1039/d4sc01158a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C27 H52 B20 N5 Rh S2'
_chemical_formula_weight         829.96
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2023-10-25 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;
_cell_angle_alpha                102.935(4)
_cell_angle_beta                 95.742(5)
_cell_angle_gamma                111.659(4)
_cell_formula_units_Z            2
_cell_length_a                   12.1157(11)
_cell_length_b                   13.1515(12)
_cell_length_c                   15.8884(14)
_cell_measurement_reflns_used    9801
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      65.46
_cell_measurement_theta_min      2.91
_cell_volume                     2246.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13869
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        64.999
_diffrn_reflns_theta_max         64.999
_diffrn_reflns_theta_min         2.913
_exptl_absorpt_coefficient_mu    4.131
_exptl_absorpt_correction_T_max  0.644
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         7550
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0240P)²+1.1356P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0704
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6907
_reflns_number_total             7550
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc01158a2.cif
_cod_data_source_block           cu_230824a_a
_cod_depositor_comments
'Adding full bibliography for 1571656--1571663.cif.'
_cod_database_code               1571658
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.523
_shelx_estimated_absorpt_t_max   0.659
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.55559(2) 0.72003(2) 0.28210(2) 0.02045(6) Uani 1 1 d . . . . .
S1 S 0.36708(5) 0.68424(5) 0.32579(4) 0.02961(13) Uani 1 1 d . . . . .
S2 S 0.73938(5) 0.73672(5) 0.23903(4) 0.03194(14) Uani 1 1 d . . . . .
N1 N 0.28617(16) 0.67088(15) 0.15491(12) 0.0258(4) Uani 1 1 d . . . . .
N2 N 0.72966(16) 0.91909(15) 0.18727(12) 0.0246(4) Uani 1 1 d . . . . .
C1 C 0.14558(19) 0.54478(19) 0.21561(15) 0.0253(5) Uani 1 1 d . . . . .
C2 C 0.0337(2) 0.5453(2) 0.14861(18) 0.0353(6) Uani 1 1 d D . . . .
H2 H 0.060(2) 0.6079(19) 0.1230(16) 0.034(7) Uiso 1 1 d D . . . .
B3 B 0.0866(3) 0.4418(2) 0.11414(19) 0.0333(6) Uani 1 1 d . . . . .
H3 H 0.136817 0.435479 0.059057 0.040 Uiso 1 1 calc R U . . .
B4 B 0.1228(2) 0.4078(2) 0.21238(19) 0.0304(6) Uani 1 1 d . . . . .
H4 H 0.197487 0.378181 0.222346 0.036 Uiso 1 1 calc R U . . .
B5 B 0.0936(2) 0.4969(2) 0.30142(19) 0.0319(6) Uani 1 1 d . . . . .
H5 H 0.148571 0.525263 0.369839 0.038 Uiso 1 1 calc R U . . .
B6 B 0.0409(3) 0.5888(2) 0.2596(2) 0.0377(7) Uani 1 1 d . . . . .
H6 H 0.061421 0.677955 0.299075 0.045 Uiso 1 1 calc R U . . .
B7 B -0.0703(3) 0.4129(3) 0.0951(2) 0.0452(8) Uani 1 1 d . . . . .
H7 H -0.124290 0.386905 0.026595 0.054 Uiso 1 1 calc R U . . .
B8 B -0.0171(3) 0.3211(2) 0.1366(2) 0.0379(7) Uani 1 1 d . . . . .
H8 H -0.036288 0.232688 0.096191 0.045 Uiso 1 1 calc R U . . .
B9 B -0.0130(3) 0.3544(2) 0.2515(2) 0.0356(7) Uani 1 1 d . . . . .
H9 H -0.029720 0.287481 0.287305 0.043 Uiso 1 1 calc R U . . .
B10 B -0.0632(3) 0.4661(3) 0.2804(2) 0.0457(8) Uani 1 1 d . . . . .
H10 H -0.113365 0.473401 0.335377 0.055 Uiso 1 1 calc R U . . .
B11 B -0.0984(3) 0.5020(3) 0.1834(3) 0.0501(9) Uani 1 1 d . . . . .
H11 H -0.170639 0.534516 0.173164 0.060 Uiso 1 1 calc R U . . .
B12 B -0.1323(3) 0.3573(3) 0.1790(2) 0.0455(8) Uani 1 1 d . . . . .
H12 H -0.227792 0.292636 0.166657 0.055 Uiso 1 1 calc R U . . .
B13 B 1.0083(2) 1.0302(2) 0.30730(19) 0.0334(6) Uani 1 1 d . . . . .
H13 H 0.970911 1.062636 0.364128 0.040 Uiso 1 1 calc R U . . .
B14 B 1.0271(2) 0.9000(2) 0.2900(2) 0.0336(6) Uani 1 1 d . . . . .
H14 H 1.002756 0.846162 0.336402 0.040 Uiso 1 1 calc R U . . .
B15 B 1.0011(2) 0.8375(2) 0.1746(2) 0.0350(6) Uani 1 1 d . . . . .
H15 H 0.959651 0.742759 0.145188 0.042 Uiso 1 1 calc R U . . .
B16 B 0.9673(2) 0.9299(2) 0.11913(19) 0.0336(6) Uani 1 1 d . . . . .
H16 H 0.903648 0.897130 0.053738 0.040 Uiso 1 1 calc R U . . .
B17 B 1.1216(2) 1.1228(2) 0.2640(2) 0.0406(7) Uani 1 1 d . . . . .
H17 H 1.160076 1.217632 0.292936 0.049 Uiso 1 1 calc R U . . .
B18 B 1.1562(3) 1.0314(3) 0.3198(2) 0.0413(7) Uani 1 1 d . . . . .
H18 H 1.218575 1.065340 0.385907 0.050 Uiso 1 1 calc R U . . .
B19 B 1.1518(3) 0.9117(3) 0.2377(2) 0.0403(7) Uani 1 1 d . . . . .
H19 H 1.211310 0.866196 0.249401 0.048 Uiso 1 1 calc R U . . .
B20 B 1.1146(3) 0.9308(3) 0.1319(2) 0.0426(7) Uani 1 1 d . . . . .
H20 H 1.149827 0.898121 0.073839 0.051 Uiso 1 1 calc R U . . .
B21 B 1.0964(3) 1.0609(3) 0.1494(2) 0.0405(7) Uani 1 1 d . . . . .
H21 H 1.118550 1.115067 0.103059 0.049 Uiso 1 1 calc R U . . .
B22 B 1.2107(3) 1.0498(3) 0.2220(2) 0.0420(8) Uani 1 1 d . . . . .
H22 H 1.309660 1.095738 0.223602 0.050 Uiso 1 1 calc R U . . .
C3 C 0.27000(19) 0.63814(18) 0.22410(14) 0.0238(5) Uani 1 1 d . . . . .
C4 C 0.39030(19) 0.76213(18) 0.14871(14) 0.0241(5) Uani 1 1 d . . . . .
C5 C 0.51169(19) 0.79057(17) 0.18691(13) 0.0209(4) Uani 1 1 d . . . . .
C6 C 0.60164(19) 0.87906(18) 0.16382(14) 0.0237(5) Uani 1 1 d . . . . .
C7 C 0.5682(2) 0.9393(2) 0.11112(16) 0.0318(5) Uani 1 1 d . . . . .
H7A H 0.629717 1.000651 0.098599 0.038 Uiso 1 1 calc R U . . .
C8 C 0.4484(2) 0.9120(2) 0.07690(17) 0.0366(6) Uani 1 1 d . . . . .
H8A H 0.427168 0.955020 0.042459 0.044 Uiso 1 1 calc R U . . .
C9 C 0.3604(2) 0.8216(2) 0.09358(16) 0.0304(5) Uani 1 1 d . . . . .
H9A H 0.277975 0.799013 0.067325 0.036 Uiso 1 1 calc R U . . .
C10 C 0.78763(19) 0.86405(18) 0.21216(14) 0.0234(5) Uani 1 1 d . . . . .
C11 C 0.92390(19) 0.91590(18) 0.21769(14) 0.0245(5) Uani 1 1 d . . . . .
C12 C 0.9805(2) 1.04278(19) 0.20312(16) 0.0305(5) Uani 1 1 d D . . . .
H12A H 0.921(2) 1.076(2) 0.1945(15) 0.029(6) Uiso 1 1 d D . . . .
C13 C 0.48980(19) 0.56562(19) 0.19720(15) 0.0252(5) Uani 1 1 d . . . . .
C14 C 0.4467(2) 0.3645(2) 0.09668(17) 0.0394(6) Uani 1 1 d . . . . .
C15 C 0.5501(3) 0.3813(3) 0.0489(2) 0.0551(8) Uani 1 1 d . . . . .
H15A H 0.546145 0.427410 0.008930 0.083 Uiso 1 1 calc R U . . .
H15B H 0.544423 0.306950 0.014799 0.083 Uiso 1 1 calc R U . . .
H15C H 0.627071 0.420512 0.091726 0.083 Uiso 1 1 calc R U . . .
C16 C 0.4493(5) 0.2948(3) 0.1600(3) 0.1067(17) Uani 1 1 d . U . . .
H16A H 0.528426 0.330296 0.200309 0.160 Uiso 1 1 calc R U . . .
H16B H 0.435722 0.217378 0.126786 0.160 Uiso 1 1 calc R U . . .
H16C H 0.385431 0.291460 0.193913 0.160 Uiso 1 1 calc R U . . .
C17 C 0.3265(3) 0.3136(3) 0.0319(3) 0.0863(14) Uani 1 1 d . . . . .
H17A H 0.260266 0.302793 0.064337 0.129 Uiso 1 1 calc R U . . .
H17B H 0.315941 0.239768 -0.006666 0.129 Uiso 1 1 calc R U . . .
H17C H 0.325507 0.365201 -0.003812 0.129 Uiso 1 1 calc R U . . .
N3 N 0.46247(17) 0.47652(16) 0.15029(13) 0.0297(4) Uani 1 1 d . . . . .
C18 C 0.6190(2) 0.8810(2) 0.35592(15) 0.0275(5) Uani 1 1 d . . . . .
C19 C 0.6779(3) 1.0988(2) 0.42110(18) 0.0431(7) Uani 1 1 d . . . . .
C20 C 0.5616(3) 1.1132(3) 0.4327(3) 0.0756(11) Uani 1 1 d . . . . .
H20A H 0.503131 1.077637 0.376483 0.113 Uiso 1 1 calc R U . . .
H20B H 0.578583 1.194633 0.452103 0.113 Uiso 1 1 calc R U . . .
H20C H 0.527646 1.076754 0.477124 0.113 Uiso 1 1 calc R U . . .
C21 C 0.7675(4) 1.1461(3) 0.5086(3) 0.0909(14) Uani 1 1 d . . . . .
H21A H 0.730033 1.108407 0.551391 0.136 Uiso 1 1 calc R U . . .
H21B H 0.789948 1.228312 0.530514 0.136 Uiso 1 1 calc R U . . .
H21C H 0.840176 1.131989 0.500264 0.136 Uiso 1 1 calc R U . . .
C22 C 0.7320(4) 1.1514(3) 0.3519(3) 0.0809(13) Uani 1 1 d . . . . .
H22A H 0.803416 1.135515 0.342547 0.121 Uiso 1 1 calc R U . . .
H22B H 0.755853 1.234045 0.371615 0.121 Uiso 1 1 calc R U . . .
H22C H 0.671841 1.118922 0.296585 0.121 Uiso 1 1 calc R U . . .
N4 N 0.64827(19) 0.97656(17) 0.39027(13) 0.0338(5) Uani 1 1 d . . . . .
C23 C 0.6097(2) 0.65737(18) 0.37835(15) 0.0273(5) Uani 1 1 d . . . . .
C24 C 0.7133(2) 0.5819(2) 0.48811(16) 0.0342(6) Uani 1 1 d . . . . .
C25 C 0.8482(2) 0.6571(3) 0.5026(2) 0.0494(7) Uani 1 1 d . . . . .
H25A H 0.874072 0.649991 0.445903 0.074 Uiso 1 1 calc R U . . .
H25B H 0.894635 0.632743 0.541912 0.074 Uiso 1 1 calc R U . . .
H25C H 0.862380 0.736691 0.529437 0.074 Uiso 1 1 calc R U . . .
C26 C 0.6650(2) 0.5958(2) 0.57277(17) 0.0438(7) Uani 1 1 d . . . . .
H26A H 0.674690 0.674910 0.595298 0.066 Uiso 1 1 calc R U . . .
H26B H 0.710325 0.576449 0.616797 0.066 Uiso 1 1 calc R U . . .
H26C H 0.578931 0.544827 0.560796 0.066 Uiso 1 1 calc R U . . .
C27 C 0.6854(3) 0.4576(2) 0.4443(2) 0.0487(7) Uani 1 1 d . . . . .
H27A H 0.598161 0.412177 0.435284 0.073 Uiso 1 1 calc R U . . .
H27B H 0.729744 0.429797 0.482080 0.073 Uiso 1 1 calc R U . . .
H27C H 0.710403 0.450473 0.387204 0.073 Uiso 1 1 calc R U . . .
N5 N 0.64969(17) 0.62135(16) 0.42750(13) 0.0308(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Rh1 C18 173.76(8) . . ?
C13 Rh1 C23 90.09(9) . . ?
C18 Rh1 C23 96.03(9) . . ?
C13 Rh1 C5 92.03(8) . . ?
C18 Rh1 C5 81.80(8) . . ?
C23 Rh1 C5 176.54(8) . . ?
C13 Rh1 S2 84.61(6) . . ?
C18 Rh1 S2 94.58(7) . . ?
C23 Rh1 S2 85.72(7) . . ?
C5 Rh1 S2 91.75(6) . . ?
C13 Rh1 S1 91.10(6) . . ?
C18 Rh1 S1 90.11(7) . . ?
C23 Rh1 S1 90.41(7) . . ?
C5 Rh1 S1 92.28(6) . . ?
S2 Rh1 S1 174.21(2) . . ?
C3 S1 Rh1 100.83(7) . . ?
C10 S2 Rh1 103.61(8) . . ?
C3 N1 C4 124.83(19) . . ?
C10 N2 C6 125.88(18) . . ?
C3 C1 C2 116.05(17) . . ?
C3 C1 B4 123.34(18) . . ?
C2 C1 B4 109.82(18) . . ?
C3 C1 B5 124.05(19) . . ?
C2 C1 B5 109.84(18) . . ?
B4 C1 B5 62.78(15) . . ?
C3 C1 B6 116.04(19) . . ?
C2 C1 B6 61.05(16) . . ?
B4 C1 B6 114.33(18) . . ?
B5 C1 B6 62.38(16) . . ?
C3 C1 B3 115.61(18) . . ?
C2 C1 B3 60.95(15) . . ?
B4 C1 B3 61.99(15) . . ?
B5 C1 B3 113.72(18) . . ?
B6 C1 B3 114.02(19) . . ?
C1 C2 B11 112.7(2) . . ?
C1 C2 B7 112.77(19) . . ?
B11 C2 B7 63.1(2) . . ?
C1 C2 B6 61.88(15) . . ?
B11 C2 B6 63.22(19) . . ?
B7 C2 B6 115.8(2) . . ?
C1 C2 B3 62.35(14) . . ?
B11 C2 B3 115.6(2) . . ?
B7 C2 B3 62.86(18) . . ?
B6 C2 B3 115.91(19) . . ?
C1 C2 H2 112.3(15) . . ?
B11 C2 H2 122.9(15) . . ?
B7 C2 H2 124.7(15) . . ?
B6 C2 H2 112.8(15) . . ?
B3 C2 H2 115.5(15) . . ?
C2 B3 C1 56.70(14) . . ?
C2 B3 B8 103.9(2) . . ?
C1 B3 B8 104.85(19) . . ?
C2 B3 B4 103.4(2) . . ?
C1 B3 B4 58.14(14) . . ?
B8 B3 B4 60.53(16) . . ?
C2 B3 B7 57.79(16) . . ?
C1 B3 B7 104.1(2) . . ?
B8 B3 B7 60.32(16) . . ?
B4 B3 B7 108.1(2) . . ?
C2 B3 H3 125.6 . . ?
C1 B3 H3 124.8 . . ?
B8 B3 H3 122.7 . . ?
B4 B3 H3 122.4 . . ?
B7 B3 H3 122.3 . . ?
C1 B4 B9 104.82(19) . . ?
C1 B4 B3 59.87(14) . . ?
B9 B4 B3 107.45(19) . . ?
C1 B4 B5 58.62(14) . . ?
B9 B4 B5 60.04(16) . . ?
B3 B4 B5 108.59(19) . . ?
C1 B4 B8 105.25(18) . . ?
B9 B4 B8 59.81(16) . . ?
B3 B4 B8 59.33(15) . . ?
B5 B4 B8 108.1(2) . . ?
C1 B4 H4 124.2 . . ?
B9 B4 H4 122.7 . . ?
B3 B4 H4 121.3 . . ?
B5 B4 H4 121.3 . . ?
B8 B4 H4 122.5 . . ?
C1 B5 B10 104.8(2) . . ?
C1 B5 B9 104.6(2) . . ?
B10 B5 B9 60.10(17) . . ?
C1 B5 B6 59.26(15) . . ?
B10 B5 B6 59.79(16) . . ?
B9 B5 B6 108.1(2) . . ?
C1 B5 B4 58.61(14) . . ?
B10 B5 B4 107.9(2) . . ?
B9 B5 B4 59.75(16) . . ?
B6 B5 B4 108.3(2) . . ?
C1 B5 H5 124.6 . . ?
B10 B5 H5 122.4 . . ?
B9 B5 H5 122.5 . . ?
B6 B5 H5 121.2 . . ?
B4 B5 H5 121.5 . . ?
C2 B6 C1 57.07(14) . . ?
C2 B6 B10 103.0(2) . . ?
C1 B6 B10 104.2(2) . . ?
C2 B6 B5 103.6(2) . . ?
C1 B6 B5 58.36(14) . . ?
B10 B6 B5 59.88(16) . . ?
C2 B6 B11 57.67(18) . . ?
C1 B6 B11 104.3(2) . . ?
B10 B6 B11 59.79(18) . . ?
B5 B6 B11 107.6(2) . . ?
C2 B6 H6 125.7 . . ?
C1 B6 H6 124.6 . . ?
B10 B6 H6 123.5 . . ?
B5 B6 H6 122.5 . . ?
B11 B6 H6 122.4 . . ?
C2 B7 B12 104.6(2) . . ?
C2 B7 B11 58.35(18) . . ?
B12 B7 B11 60.49(19) . . ?
C2 B7 B3 59.34(16) . . ?
B12 B7 B3 108.2(2) . . ?
B11 B7 B3 108.7(2) . . ?
C2 B7 B8 104.4(2) . . ?
B12 B7 B8 60.31(18) . . ?
B11 B7 B8 108.6(2) . . ?
B3 B7 B8 59.43(16) . . ?
C2 B7 H7 125.0 . . ?
B12 B7 H7 122.2 . . ?
B11 B7 H7 121.0 . . ?
B3 B7 H7 121.2 . . ?
B8 B7 H7 122.5 . . ?
B3 B8 B9 108.1(2) . . ?
B3 B8 B7 60.25(16) . . ?
B9 B8 B7 107.3(2) . . ?
B3 B8 B12 108.2(2) . . ?
B9 B8 B12 59.96(18) . . ?
B7 B8 B12 59.48(18) . . ?
B3 B8 B4 60.14(15) . . ?
B9 B8 B4 59.79(16) . . ?
B7 B8 B4 107.70(19) . . ?
B12 B8 B4 107.8(2) . . ?
B3 B8 H8 121.3 . . ?
B9 B8 H8 122.0 . . ?
B7 B8 H8 122.1 . . ?
B12 B8 H8 121.8 . . ?
B4 B8 H8 121.8 . . ?
B4 B9 B8 60.41(16) . . ?
B4 B9 B12 108.5(2) . . ?
B8 B9 B12 60.21(18) . . ?
B4 B9 B10 107.97(19) . . ?
B8 B9 B10 108.3(2) . . ?
B12 B9 B10 60.13(19) . . ?
B4 B9 B5 60.21(15) . . ?
B8 B9 B5 108.66(19) . . ?
B12 B9 B5 108.3(2) . . ?
B10 B9 B5 59.76(17) . . ?
B4 B9 H9 121.5 . . ?
B8 B9 H9 121.3 . . ?
B12 B9 H9 121.4 . . ?
B10 B9 H9 121.9 . . ?
B5 B9 H9 121.5 . . ?
B6 B10 B11 60.44(18) . . ?
B6 B10 B5 60.33(16) . . ?
B11 B10 B5 108.5(2) . . ?
B6 B10 B9 108.5(2) . . ?
B11 B10 B9 108.0(2) . . ?
B5 B10 B9 60.13(16) . . ?
B6 B10 B12 108.9(2) . . ?
B11 B10 B12 60.15(19) . . ?
B5 B10 B12 108.4(2) . . ?
B9 B10 B12 59.88(18) . . ?
B6 B10 H10 121.1 . . ?
B11 B10 H10 121.6 . . ?
B5 B10 H10 121.4 . . ?
B9 B10 H10 121.8 . . ?
B12 B10 H10 121.4 . . ?
C2 B11 B7 58.54(18) . . ?
C2 B11 B10 104.1(2) . . ?
B7 B11 B10 107.9(2) . . ?
C2 B11 B12 104.1(2) . . ?
B7 B11 B12 59.71(19) . . ?
B10 B11 B12 60.20(19) . . ?
C2 B11 B6 59.10(16) . . ?
B7 B11 B6 108.7(2) . . ?
B10 B11 B6 59.77(18) . . ?
B12 B11 B6 108.4(2) . . ?
C2 B11 H11 125.2 . . ?
B7 B11 H11 121.4 . . ?
B10 B11 H11 122.7 . . ?
B12 B11 H11 122.5 . . ?
B6 B11 H11 120.9 . . ?
B7 B12 B9 107.8(2) . . ?
B7 B12 B11 59.8(2) . . ?
B9 B12 B11 107.7(2) . . ?
B7 B12 B10 107.5(2) . . ?
B9 B12 B10 59.99(18) . . ?
B11 B12 B10 59.6(2) . . ?
B7 B12 B8 60.21(18) . . ?
B9 B12 B8 59.83(17) . . ?
B11 B12 B8 108.0(2) . . ?
B10 B12 B8 107.9(2) . . ?
B7 B12 H12 121.9 . . ?
B9 B12 H12 121.9 . . ?
B11 B12 H12 121.9 . . ?
B10 B12 H12 122.0 . . ?
B8 B12 H12 121.6 . . ?
C12 B13 C11 56.89(13) . . ?
C12 B13 B14 103.9(2) . . ?
C11 B13 B14 58.80(15) . . ?
C12 B13 B18 104.0(2) . . ?
C11 B13 B18 105.0(2) . . ?
B14 B13 B18 59.95(16) . . ?
C12 B13 B17 57.81(15) . . ?
C11 B13 B17 104.3(2) . . ?
B14 B13 B17 107.6(2) . . ?
B18 B13 B17 60.17(17) . . ?
C12 B13 H13 125.4 . . ?
C11 B13 H13 124.4 . . ?
B14 B13 H13 122.4 . . ?
B18 B13 H13 122.9 . . ?
B17 B13 H13 122.5 . . ?
C11 B14 B19 105.23(19) . . ?
C11 B14 B13 58.94(14) . . ?
B19 B14 B13 108.59(19) . . ?
C11 B14 B18 105.28(18) . . ?
B19 B14 B18 60.49(17) . . ?
B13 B14 B18 60.12(16) . . ?
C11 B14 B15 58.67(15) . . ?
B19 B14 B15 60.26(17) . . ?
B13 B14 B15 108.28(19) . . ?
B18 B14 B15 108.6(2) . . ?
C11 B14 H14 124.5 . . ?
B19 B14 H14 121.9 . . ?
B13 B14 H14 121.3 . . ?
B18 B14 H14 121.9 . . ?
B15 B14 H14 121.3 . . ?
C11 B15 B14 58.86(15) . . ?
C11 B15 B19 105.0(2) . . ?
B14 B15 B19 59.73(17) . . ?
C11 B15 B20 104.73(19) . . ?
B14 B15 B20 107.9(2) . . ?
B19 B15 B20 60.39(17) . . ?
C11 B15 B16 59.15(14) . . ?
B14 B15 B16 108.3(2) . . ?
B19 B15 B16 108.19(19) . . ?
B20 B15 B16 59.50(16) . . ?
C11 B15 H15 124.5 . . ?
B14 B15 H15 121.5 . . ?
B19 B15 H15 122.2 . . ?
B20 B15 H15 122.5 . . ?
B16 B15 H15 121.3 . . ?
C12 B16 C11 56.82(13) . . ?
C12 B16 B21 58.01(16) . . ?
C11 B16 B21 104.2(2) . . ?
C12 B16 B20 103.8(2) . . ?
C11 B16 B20 104.5(2) . . ?
B21 B16 B20 59.95(17) . . ?
C12 B16 B15 103.53(19) . . ?
C11 B16 B15 58.23(15) . . ?
B21 B16 B15 107.6(2) . . ?
B20 B16 B15 60.09(16) . . ?
C12 B16 H16 125.4 . . ?
C11 B16 H16 124.8 . . ?
B21 B16 H16 122.4 . . ?
B20 B16 H16 123.1 . . ?
B15 B16 H16 122.5 . . ?
C12 B17 B21 58.38(16) . . ?
C12 B17 B22 104.5(2) . . ?
B21 B17 B22 60.40(18) . . ?
C12 B17 B13 59.07(15) . . ?
B21 B17 B13 108.4(2) . . ?
B22 B17 B13 107.9(2) . . ?
C12 B17 B18 104.70(19) . . ?
B21 B17 B18 108.5(2) . . ?
B22 B17 B18 60.00(18) . . ?
B13 B17 B18 59.82(16) . . ?
C12 B17 H17 124.9 . . ?
B21 B17 H17 121.1 . . ?
B22 B17 H17 122.4 . . ?
B13 B17 H17 121.3 . . ?
B18 B17 H17 122.3 . . ?
B14 B18 B13 59.94(16) . . ?
B14 B18 B22 107.4(2) . . ?
B13 B18 B22 107.9(2) . . ?
B14 B18 B17 107.44(19) . . ?
B13 B18 B17 60.01(16) . . ?
B22 B18 B17 59.80(18) . . ?
B14 B18 B19 59.68(17) . . ?
B13 B18 B19 107.8(2) . . ?
B22 B18 B19 59.73(18) . . ?
B17 B18 B19 107.4(2) . . ?
B14 B18 H18 122.1 . . ?
B13 B18 H18 121.6 . . ?
B22 B18 H18 122.0 . . ?
B17 B18 H18 122.0 . . ?
B19 B18 H18 122.0 . . ?
B14 B19 B22 107.7(2) . . ?
B14 B19 B15 60.00(16) . . ?
B22 B19 B15 107.8(2) . . ?
B14 B19 B18 59.84(17) . . ?
B22 B19 B18 59.97(18) . . ?
B15 B19 B18 107.9(2) . . ?
B14 B19 B20 107.7(2) . . ?
B22 B19 B20 59.89(17) . . ?
B15 B19 B20 59.82(17) . . ?
B18 B19 B20 107.8(2) . . ?
B14 B19 H19 121.9 . . ?
B22 B19 H19 121.9 . . ?
B15 B19 H19 121.8 . . ?
B18 B19 H19 121.8 . . ?
B20 B19 H19 121.9 . . ?
B21 B20 B16 60.02(16) . . ?
B21 B20 B22 60.24(18) . . ?
B16 B20 B22 108.4(2) . . ?
B21 B20 B15 107.9(2) . . ?
B16 B20 B15 60.41(16) . . ?
B22 B20 B15 107.5(2) . . ?
B21 B20 B19 107.8(2) . . ?
B16 B20 B19 108.4(2) . . ?
B22 B20 B19 59.60(17) . . ?
B15 B20 B19 59.79(17) . . ?
B21 B20 H20 121.7 . . ?
B16 B20 H20 121.2 . . ?
B22 B20 H20 121.8 . . ?
B15 B20 H20 121.9 . . ?
B19 B20 H20 121.9 . . ?
C12 B21 B17 58.56(16) . . ?
C12 B21 B20 104.62(19) . . ?
B17 B21 B20 108.5(2) . . ?
C12 B21 B16 59.05(15) . . ?
B17 B21 B16 108.7(2) . . ?
B20 B21 B16 60.04(17) . . ?
C12 B21 B22 104.4(2) . . ?
B17 B21 B22 60.10(18) . . ?
B20 B21 B22 60.20(18) . . ?
B16 B21 B22 108.4(2) . . ?
C12 B21 H21 125.0 . . ?
B17 B21 H21 121.1 . . ?
B20 B21 H21 122.3 . . ?
B16 B21 H21 121.0 . . ?
B22 B21 H21 122.3 . . ?
B19 B22 B17 108.2(2) . . ?
B19 B22 B18 60.30(18) . . ?
B17 B22 B18 60.21(18) . . ?
B19 B22 B20 60.51(18) . . ?
B17 B22 B20 107.4(2) . . ?
B18 B22 B20 108.6(2) . . ?
B19 B22 B21 108.0(2) . . ?
B17 B22 B21 59.49(18) . . ?
B18 B22 B21 107.9(2) . . ?
B20 B22 B21 59.56(18) . . ?
B19 B22 H22 121.3 . . ?
B17 B22 H22 122.0 . . ?
B18 B22 H22 121.3 . . ?
B20 B22 H22 121.7 . . ?
B21 B22 H22 122.1 . . ?
N1 C3 C1 114.33(19) . . ?
N1 C3 S1 130.05(17) . . ?
C1 C3 S1 115.62(15) . . ?
C9 C4 C5 121.38(19) . . ?
C9 C4 N1 111.44(19) . . ?
C5 C4 N1 127.09(19) . . ?
C4 C5 C6 116.57(19) . . ?
C4 C5 Rh1 121.68(15) . . ?
C6 C5 Rh1 121.41(15) . . ?
C7 C6 C5 120.4(2) . . ?
C7 C6 N2 111.23(18) . . ?
C5 C6 N2 128.41(19) . . ?
C8 C7 C6 121.7(2) . . ?
C8 C7 H7A 119.1 . . ?
C6 C7 H7A 119.1 . . ?
C9 C8 C7 118.7(2) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C8 C9 C4 121.1(2) . . ?
C8 C9 H9A 119.5 . . ?
C4 C9 H9A 119.5 . . ?
N2 C10 C11 115.96(18) . . ?
N2 C10 S2 131.62(17) . . ?
C11 C10 S2 112.40(15) . . ?
C10 C11 C12 116.14(18) . . ?
C10 C11 B15 122.63(18) . . ?
C12 C11 B15 110.20(18) . . ?
C10 C11 B14 124.14(18) . . ?
C12 C11 B14 110.15(17) . . ?
B15 C11 B14 62.46(16) . . ?
C10 C11 B13 116.73(19) . . ?
C12 C11 B13 61.42(15) . . ?
B15 C11 B13 114.14(19) . . ?
B14 C11 B13 62.26(15) . . ?
C10 C11 B16 114.79(18) . . ?
C12 C11 B16 60.88(15) . . ?
B15 C11 B16 62.62(16) . . ?
B14 C11 B16 114.10(19) . . ?
B13 C11 B16 114.34(18) . . ?
C11 C12 B21 112.5(2) . . ?
C11 C12 B17 112.39(18) . . ?
B21 C12 B17 63.06(18) . . ?
C11 C12 B16 62.30(15) . . ?
B21 C12 B16 62.94(17) . . ?
B17 C12 B16 115.7(2) . . ?
C11 C12 B13 61.69(14) . . ?
B21 C12 B13 115.6(2) . . ?
B17 C12 B13 63.12(16) . . ?
B16 C12 B13 115.77(19) . . ?
C11 C12 H12A 114.7(14) . . ?
B21 C12 H12A 123.0(14) . . ?
B17 C12 H12A 121.5(14) . . ?
B16 C12 H12A 116.0(14) . . ?
B13 C12 H12A 114.0(14) . . ?
N3 C13 Rh1 173.5(2) . . ?
N3 C14 C15 107.6(2) . . ?
N3 C14 C16 106.3(2) . . ?
C15 C14 C16 111.6(3) . . ?
N3 C14 C17 108.2(2) . . ?
C15 C14 C17 110.7(3) . . ?
C16 C14 C17 112.1(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 N3 C14 170.8(2) . . ?
N4 C18 Rh1 171.6(2) . . ?
N4 C19 C22 107.3(2) . . ?
N4 C19 C20 107.8(2) . . ?
C22 C19 C20 111.3(3) . . ?
N4 C19 C21 107.6(2) . . ?
C22 C19 C21 111.8(3) . . ?
C20 C19 C21 110.8(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 N4 C19 171.4(2) . . ?
N5 C23 Rh1 172.6(2) . . ?
N5 C24 C27 107.6(2) . . ?
N5 C24 C26 107.0(2) . . ?
C27 C24 C26 111.4(2) . . ?
N5 C24 C25 106.6(2) . . ?
C27 C24 C25 111.8(2) . . ?
C26 C24 C25 112.2(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 N5 C24 173.9(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C13 1.986(2) . ?
Rh1 C18 1.988(2) . ?
Rh1 C23 2.052(2) . ?
Rh1 C5 2.065(2) . ?
Rh1 S2 2.3423(6) . ?
Rh1 S1 2.3642(6) . ?
S1 C3 1.737(2) . ?
S2 C10 1.725(2) . ?
N1 C3 1.275(3) . ?
N1 C4 1.415(3) . ?
N2 C10 1.273(3) . ?
N2 C6 1.420(3) . ?
C1 C3 1.522(3) . ?
C1 C2 1.640(3) . ?
C1 B4 1.707(3) . ?
C1 B5 1.707(3) . ?
C1 B6 1.724(4) . ?
C1 B3 1.738(3) . ?
C2 B11 1.684(4) . ?
C2 B7 1.687(4) . ?
C2 B6 1.710(4) . ?
C2 B3 1.715(4) . ?
C2 H2 0.96(2) . ?
B3 B8 1.760(4) . ?
B3 B4 1.775(4) . ?
B3 B7 1.775(4) . ?
B3 H3 1.1200 . ?
B4 B9 1.770(4) . ?
B4 B5 1.778(4) . ?
B4 B8 1.781(4) . ?
B4 H4 1.1200 . ?
B5 B10 1.769(4) . ?
B5 B9 1.776(4) . ?
B5 B6 1.777(4) . ?
B5 H5 1.1200 . ?
B6 B10 1.767(4) . ?
B6 B11 1.779(5) . ?
B6 H6 1.1200 . ?
B7 B12 1.763(5) . ?
B7 B11 1.764(5) . ?
B7 B8 1.776(4) . ?
B7 H7 1.1200 . ?
B8 B9 1.771(4) . ?
B8 B12 1.778(5) . ?
B8 H8 1.1200 . ?
B9 B12 1.773(4) . ?
B9 B10 1.775(4) . ?
B9 H9 1.1200 . ?
B10 B11 1.768(5) . ?
B10 B12 1.777(5) . ?
B10 H10 1.1200 . ?
B11 B12 1.777(4) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
B13 C12 1.713(4) . ?
B13 C11 1.717(3) . ?
B13 B14 1.774(4) . ?
B13 B18 1.777(4) . ?
B13 B17 1.781(4) . ?
B13 H13 1.1200 . ?
B14 C11 1.715(3) . ?
B14 B19 1.771(4) . ?
B14 B18 1.774(4) . ?
B14 B15 1.776(4) . ?
B14 H14 1.1200 . ?
B15 C11 1.711(4) . ?
B15 B19 1.781(4) . ?
B15 B20 1.782(4) . ?
B15 B16 1.787(4) . ?
B15 H15 1.1200 . ?
B16 C12 1.705(4) . ?
B16 C11 1.728(3) . ?
B16 B21 1.771(4) . ?
B16 B20 1.771(4) . ?
B16 H16 1.1200 . ?
B17 C12 1.689(3) . ?
B17 B21 1.765(5) . ?
B17 B22 1.776(5) . ?
B17 B18 1.784(4) . ?
B17 H17 1.1200 . ?
B18 B22 1.780(5) . ?
B18 B19 1.786(5) . ?
B18 H18 1.1200 . ?
B19 B22 1.776(4) . ?
B19 B20 1.792(5) . ?
B19 H19 1.1200 . ?
B20 B21 1.769(5) . ?
B20 B22 1.781(5) . ?
B20 H20 1.1200 . ?
B21 C12 1.686(4) . ?
B21 B22 1.782(4) . ?
B21 H21 1.1200 . ?
B22 H22 1.1200 . ?
C4 C9 1.401(3) . ?
C4 C5 1.409(3) . ?
C5 C6 1.418(3) . ?
C6 C7 1.400(3) . ?
C7 C8 1.379(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.372(3) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.520(3) . ?
C11 C12 1.634(3) . ?
C12 H12A 0.99(2) . ?
C13 N3 1.145(3) . ?
C14 N3 1.459(3) . ?
C14 C15 1.502(4) . ?
C14 C16 1.510(4) . ?
C14 C17 1.517(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N4 1.153(3) . ?
C19 N4 1.462(3) . ?
C19 C22 1.505(4) . ?
C19 C20 1.514(4) . ?
C19 C21 1.519(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 N5 1.153(3) . ?
C24 N5 1.470(3) . ?
C24 C27 1.519(4) . ?
C24 C26 1.520(4) . ?
C24 C25 1.526(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
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
C3 C1 C2 B11 -145.8(2) . . . . ?
B4 C1 C2 B11 68.5(3) . . . . ?
B5 C1 C2 B11 1.2(3) . . . . ?
B6 C1 C2 B11 -39.0(2) . . . . ?
B3 C1 C2 B11 108.0(2) . . . . ?
C3 C1 C2 B7 145.1(2) . . . . ?
B4 C1 C2 B7 -0.6(3) . . . . ?
B5 C1 C2 B7 -67.9(3) . . . . ?
B6 C1 C2 B7 -108.2(2) . . . . ?
B3 C1 C2 B7 38.9(2) . . . . ?
C3 C1 C2 B6 -106.7(2) . . . . ?
B4 C1 C2 B6 107.5(2) . . . . ?
B5 C1 C2 B6 40.29(19) . . . . ?
B3 C1 C2 B6 147.07(19) . . . . ?
C3 C1 C2 B3 106.2(2) . . . . ?
B4 C1 C2 B3 -39.54(19) . . . . ?
B5 C1 C2 B3 -106.8(2) . . . . ?
B6 C1 C2 B3 -147.07(19) . . . . ?
B11 C2 B3 C1 -103.4(2) . . . . ?
B7 C2 B3 C1 -139.4(2) . . . . ?
B6 C2 B3 C1 -32.21(19) . . . . ?
C1 C2 B3 B8 98.80(19) . . . . ?
B11 C2 B3 B8 -4.6(3) . . . . ?
B7 C2 B3 B8 -40.60(19) . . . . ?
B6 C2 B3 B8 66.6(2) . . . . ?
C1 C2 B3 B4 36.32(16) . . . . ?
B11 C2 B3 B4 -67.1(3) . . . . ?
B7 C2 B3 B4 -103.1(2) . . . . ?
B6 C2 B3 B4 4.1(3) . . . . ?
C1 C2 B3 B7 139.4(2) . . . . ?
B11 C2 B3 B7 36.0(2) . . . . ?
B6 C2 B3 B7 107.2(2) . . . . ?
C3 C1 B3 C2 -106.9(2) . . . . ?
B4 C1 B3 C2 137.29(19) . . . . ?
B5 C1 B3 C2 100.4(2) . . . . ?
B6 C1 B3 C2 31.39(18) . . . . ?
C3 C1 B3 B8 155.98(19) . . . . ?
C2 C1 B3 B8 -97.1(2) . . . . ?
B4 C1 B3 B8 40.18(18) . . . . ?
B5 C1 B3 B8 3.3(3) . . . . ?
B6 C1 B3 B8 -65.7(2) . . . . ?
C3 C1 B3 B4 115.8(2) . . . . ?
C2 C1 B3 B4 -137.29(19) . . . . ?
B5 C1 B3 B4 -36.92(19) . . . . ?
B6 C1 B3 B4 -105.9(2) . . . . ?
C3 C1 B3 B7 -141.50(19) . . . . ?
C2 C1 B3 B7 -34.59(17) . . . . ?
B4 C1 B3 B7 102.7(2) . . . . ?
B5 C1 B3 B7 65.8(2) . . . . ?
B6 C1 B3 B7 -3.2(2) . . . . ?
C3 C1 B4 B9 154.5(2) . . . . ?
C2 C1 B4 B9 -62.8(2) . . . . ?
B5 C1 B4 B9 39.96(18) . . . . ?
B6 C1 B4 B9 3.6(3) . . . . ?
B3 C1 B4 B9 -101.8(2) . . . . ?
C3 C1 B4 B3 -103.7(2) . . . . ?
C2 C1 B4 B3 39.07(19) . . . . ?
B5 C1 B4 B3 141.8(2) . . . . ?
B6 C1 B4 B3 105.4(2) . . . . ?
C3 C1 B4 B5 114.5(2) . . . . ?
C2 C1 B4 B5 -102.7(2) . . . . ?
B6 C1 B4 B5 -36.4(2) . . . . ?
B3 C1 B4 B5 -141.8(2) . . . . ?
C3 C1 B4 B8 -143.3(2) . . . . ?
C2 C1 B4 B8 -0.6(3) . . . . ?
B5 C1 B4 B8 102.1(2) . . . . ?
B6 C1 B4 B8 65.7(2) . . . . ?
B3 C1 B4 B8 -39.68(18) . . . . ?
C2 B3 B4 C1 -35.65(16) . . . . ?
B8 B3 B4 C1 -134.3(2) . . . . ?
B7 B3 B4 C1 -95.7(2) . . . . ?
C2 B3 B4 B9 61.7(2) . . . . ?
C1 B3 B4 B9 97.3(2) . . . . ?
B8 B3 B4 B9 -36.9(2) . . . . ?
B7 B3 B4 B9 1.6(3) . . . . ?
C2 B3 B4 B5 -1.8(2) . . . . ?
C1 B3 B4 B5 33.85(17) . . . . ?
B8 B3 B4 B5 -100.4(2) . . . . ?
B7 B3 B4 B5 -61.9(2) . . . . ?
C2 B3 B4 B8 98.6(2) . . . . ?
C1 B3 B4 B8 134.3(2) . . . . ?
B7 B3 B4 B8 38.5(2) . . . . ?
C3 C1 B5 B10 144.4(2) . . . . ?
C2 C1 B5 B10 0.6(3) . . . . ?
B4 C1 B5 B10 -102.1(2) . . . . ?
B6 C1 B5 B10 40.2(2) . . . . ?
B3 C1 B5 B10 -65.5(2) . . . . ?
C3 C1 B5 B9 -153.2(2) . . . . ?
C2 C1 B5 B9 62.9(2) . . . . ?
B4 C1 B5 B9 -39.77(18) . . . . ?
B6 C1 B5 B9 102.6(2) . . . . ?
B3 C1 B5 B9 -3.2(3) . . . . ?
C3 C1 B5 B6 104.1(2) . . . . ?
C2 C1 B5 B6 -39.69(19) . . . . ?
B4 C1 B5 B6 -142.4(2) . . . . ?
B3 C1 B5 B6 -105.8(2) . . . . ?
C3 C1 B5 B4 -113.5(2) . . . . ?
C2 C1 B5 B4 102.7(2) . . . . ?
B6 C1 B5 B4 142.4(2) . . . . ?
B3 C1 B5 B4 36.61(19) . . . . ?
B9 B4 B5 C1 -134.2(2) . . . . ?
B3 B4 B5 C1 -34.35(17) . . . . ?
B8 B4 B5 C1 -97.19(19) . . . . ?
C1 B4 B5 B10 96.8(2) . . . . ?
B9 B4 B5 B10 -37.41(19) . . . . ?
B3 B4 B5 B10 62.5(2) . . . . ?
B8 B4 B5 B10 -0.4(2) . . . . ?
C1 B4 B5 B9 134.2(2) . . . . ?
B3 B4 B5 B9 99.9(2) . . . . ?
B8 B4 B5 B9 37.03(18) . . . . ?
C1 B4 B5 B6 33.55(17) . . . . ?
B9 B4 B5 B6 -100.7(2) . . . . ?
B3 B4 B5 B6 -0.8(2) . . . . ?
B8 B4 B5 B6 -63.6(2) . . . . ?
B11 C2 B6 C1 139.4(2) . . . . ?
B7 C2 B6 C1 103.2(2) . . . . ?
B3 C2 B6 C1 32.37(18) . . . . ?
C1 C2 B6 B10 -98.7(2) . . . . ?
B11 C2 B6 B10 40.7(2) . . . . ?
B7 C2 B6 B10 4.6(3) . . . . ?
B3 C2 B6 B10 -66.3(2) . . . . ?
C1 C2 B6 B5 -36.96(16) . . . . ?
B11 C2 B6 B5 102.4(2) . . . . ?
B7 C2 B6 B5 66.3(3) . . . . ?
B3 C2 B6 B5 -4.6(3) . . . . ?
C1 C2 B6 B11 -139.4(2) . . . . ?
B7 C2 B6 B11 -36.2(2) . . . . ?
B3 C2 B6 B11 -107.0(2) . . . . ?
C3 C1 B6 C2 106.8(2) . . . . ?
B4 C1 B6 C2 -100.1(2) . . . . ?
B5 C1 B6 C2 -136.65(19) . . . . ?
B3 C1 B6 C2 -31.35(18) . . . . ?
C3 C1 B6 B10 -156.8(2) . . . . ?
C2 C1 B6 B10 96.5(2) . . . . ?
B4 C1 B6 B10 -3.6(3) . . . . ?
B5 C1 B6 B10 -40.2(2) . . . . ?
B3 C1 B6 B10 65.1(3) . . . . ?
C3 C1 B6 B5 -116.6(2) . . . . ?
C2 C1 B6 B5 136.65(19) . . . . ?
B4 C1 B6 B5 36.6(2) . . . . ?
B3 C1 B6 B5 105.3(2) . . . . ?
C3 C1 B6 B11 141.3(2) . . . . ?
C2 C1 B6 B11 34.60(18) . . . . ?
B4 C1 B6 B11 -65.5(2) . . . . ?
B5 C1 B6 B11 -102.1(2) . . . . ?
B3 C1 B6 B11 3.2(3) . . . . ?
C1 B5 B6 C2 36.35(16) . . . . ?
B10 B5 B6 C2 -97.4(2) . . . . ?
B9 B5 B6 C2 -60.2(2) . . . . ?
B4 B5 B6 C2 3.1(2) . . . . ?
B10 B5 B6 C1 -133.7(2) . . . . ?
B9 B5 B6 C1 -96.5(2) . . . . ?
B4 B5 B6 C1 -33.29(17) . . . . ?
C1 B5 B6 B10 133.7(2) . . . . ?
B9 B5 B6 B10 37.2(2) . . . . ?
B4 B5 B6 B10 100.4(2) . . . . ?
C1 B5 B6 B11 96.3(2) . . . . ?
B10 B5 B6 B11 -37.4(2) . . . . ?
B9 B5 B6 B11 -0.2(3) . . . . ?
B4 B5 B6 B11 63.0(3) . . . . ?
C1 C2 B7 B12 64.1(3) . . . . ?
B11 C2 B7 B12 -40.7(2) . . . . ?
B6 C2 B7 B12 -4.5(3) . . . . ?
B3 C2 B7 B12 102.8(2) . . . . ?
C1 C2 B7 B11 104.8(2) . . . . ?
B6 C2 B7 B11 36.2(2) . . . . ?
B3 C2 B7 B11 143.5(2) . . . . ?
C1 C2 B7 B3 -38.7(2) . . . . ?
B11 C2 B7 B3 -143.5(2) . . . . ?
B6 C2 B7 B3 -107.3(2) . . . . ?
C1 C2 B7 B8 1.6(3) . . . . ?
B11 C2 B7 B8 -103.2(2) . . . . ?
B6 C2 B7 B8 -67.0(3) . . . . ?
B3 C2 B7 B8 40.3(2) . . . . ?
C1 B3 B7 C2 34.11(17) . . . . ?
B8 B3 B7 C2 133.4(2) . . . . ?
B4 B3 B7 C2 94.7(2) . . . . ?
C2 B3 B7 B12 -96.5(3) . . . . ?
C1 B3 B7 B12 -62.4(3) . . . . ?
B8 B3 B7 B12 36.9(2) . . . . ?
B4 B3 B7 B12 -1.7(3) . . . . ?
C2 B3 B7 B11 -32.32(19) . . . . ?
C1 B3 B7 B11 1.8(3) . . . . ?
B8 B3 B7 B11 101.0(2) . . . . ?
B4 B3 B7 B11 62.4(3) . . . . ?
C2 B3 B7 B8 -133.4(2) . . . . ?
C1 B3 B7 B8 -99.2(2) . . . . ?
B4 B3 B7 B8 -38.6(2) . . . . ?
C2 B3 B8 B9 -60.6(2) . . . . ?
C1 B3 B8 B9 -1.9(3) . . . . ?
B4 B3 B8 B9 37.1(2) . . . . ?
B7 B3 B8 B9 -100.0(2) . . . . ?
C2 B3 B8 B7 39.3(2) . . . . ?
C1 B3 B8 B7 98.0(2) . . . . ?
B4 B3 B8 B7 137.0(2) . . . . ?
C2 B3 B8 B12 2.8(3) . . . . ?
C1 B3 B8 B12 61.5(2) . . . . ?
B4 B3 B8 B12 100.5(2) . . . . ?
B7 B3 B8 B12 -36.5(2) . . . . ?
C2 B3 B8 B4 -97.7(2) . . . . ?
C1 B3 B8 B4 -39.01(17) . . . . ?
B7 B3 B8 B4 -137.0(2) . . . . ?
C2 B7 B8 B3 -40.2(2) . . . . ?
B12 B7 B8 B3 -139.0(2) . . . . ?
B11 B7 B8 B3 -101.2(2) . . . . ?
C2 B7 B8 B9 61.1(3) . . . . ?
B12 B7 B8 B9 -37.6(2) . . . . ?
B11 B7 B8 B9 0.1(3) . . . . ?
B3 B7 B8 B9 101.3(2) . . . . ?
C2 B7 B8 B12 98.7(3) . . . . ?
B11 B7 B8 B12 37.8(2) . . . . ?
B3 B7 B8 B12 139.0(2) . . . . ?
C2 B7 B8 B4 -1.9(3) . . . . ?
B12 B7 B8 B4 -100.6(2) . . . . ?
B11 B7 B8 B4 -62.9(3) . . . . ?
B3 B7 B8 B4 38.3(2) . . . . ?
C1 B4 B8 B3 39.95(18) . . . . ?
B9 B4 B8 B3 138.5(2) . . . . ?
B5 B4 B8 B3 101.3(2) . . . . ?
C1 B4 B8 B9 -98.5(2) . . . . ?
B3 B4 B8 B9 -138.5(2) . . . . ?
B5 B4 B8 B9 -37.13(18) . . . . ?
C1 B4 B8 B7 1.6(3) . . . . ?
B9 B4 B8 B7 100.1(2) . . . . ?
B3 B4 B8 B7 -38.4(2) . . . . ?
B5 B4 B8 B7 62.9(3) . . . . ?
C1 B4 B8 B12 -61.2(2) . . . . ?
B9 B4 B8 B12 37.28(19) . . . . ?
B3 B4 B8 B12 -101.2(2) . . . . ?
B5 B4 B8 B12 0.2(2) . . . . ?
C1 B4 B9 B8 99.3(2) . . . . ?
B3 B4 B9 B8 36.72(19) . . . . ?
B5 B4 B9 B8 138.5(2) . . . . ?
C1 B4 B9 B12 61.7(2) . . . . ?
B3 B4 B9 B12 -0.9(3) . . . . ?
B5 B4 B9 B12 100.9(2) . . . . ?
B8 B4 B9 B12 -37.6(2) . . . . ?
C1 B4 B9 B10 -2.0(3) . . . . ?
B3 B4 B9 B10 -64.5(3) . . . . ?
B5 B4 B9 B10 37.3(2) . . . . ?
B8 B4 B9 B10 -101.2(2) . . . . ?
C1 B4 B9 B5 -39.26(17) . . . . ?
B3 B4 B9 B5 -101.8(2) . . . . ?
B8 B4 B9 B5 -138.5(2) . . . . ?
B3 B8 B9 B4 -37.23(19) . . . . ?
B7 B8 B9 B4 -100.8(2) . . . . ?
B12 B8 B9 B4 -138.2(2) . . . . ?
B3 B8 B9 B12 101.0(2) . . . . ?
B7 B8 B9 B12 37.42(19) . . . . ?
B4 B8 B9 B12 138.2(2) . . . . ?
B3 B8 B9 B10 63.5(3) . . . . ?
B7 B8 B9 B10 -0.1(3) . . . . ?
B12 B8 B9 B10 -37.50(19) . . . . ?
B4 B8 B9 B10 100.7(2) . . . . ?
B3 B8 B9 B5 0.1(3) . . . . ?
B7 B8 B9 B5 -63.4(3) . . . . ?
B12 B8 B9 B5 -100.9(2) . . . . ?
B4 B8 B9 B5 37.35(19) . . . . ?
C1 B5 B9 B4 39.21(17) . . . . ?
B10 B5 B9 B4 138.2(2) . . . . ?
B6 B5 B9 B4 101.1(2) . . . . ?
C1 B5 B9 B8 1.8(3) . . . . ?
B10 B5 B9 B8 100.7(2) . . . . ?
B6 B5 B9 B8 63.7(3) . . . . ?
B4 B5 B9 B8 -37.44(19) . . . . ?
C1 B5 B9 B12 -62.1(3) . . . . ?
B10 B5 B9 B12 36.9(2) . . . . ?
B6 B5 B9 B12 -0.2(3) . . . . ?
B4 B5 B9 B12 -101.3(2) . . . . ?
C1 B5 B9 B10 -99.0(2) . . . . ?
B6 B5 B9 B10 -37.0(2) . . . . ?
B4 B5 B9 B10 -138.2(2) . . . . ?
C2 B6 B10 B11 -39.6(2) . . . . ?
C1 B6 B10 B11 -98.5(2) . . . . ?
B5 B6 B10 B11 -137.9(2) . . . . ?
C2 B6 B10 B5 98.3(2) . . . . ?
C1 B6 B10 B5 39.40(19) . . . . ?
B11 B6 B10 B5 137.9(2) . . . . ?
C2 B6 B10 B9 61.0(3) . . . . ?
C1 B6 B10 B9 2.1(3) . . . . ?
B5 B6 B10 B9 -37.3(2) . . . . ?
B11 B6 B10 B9 100.6(3) . . . . ?
C2 B6 B10 B12 -2.6(3) . . . . ?
C1 B6 B10 B12 -61.5(3) . . . . ?
B5 B6 B10 B12 -100.9(2) . . . . ?
B11 B6 B10 B12 37.0(2) . . . . ?
C1 B5 B10 B6 -39.98(19) . . . . ?
B9 B5 B10 B6 -138.5(2) . . . . ?
B4 B5 B10 B6 -101.2(2) . . . . ?
C1 B5 B10 B11 -2.0(3) . . . . ?
B9 B5 B10 B11 -100.6(3) . . . . ?
B6 B5 B10 B11 37.9(2) . . . . ?
B4 B5 B10 B11 -63.3(3) . . . . ?
C1 B5 B10 B9 98.5(2) . . . . ?
B6 B5 B10 B9 138.5(2) . . . . ?
B4 B5 B10 B9 37.25(19) . . . . ?
C1 B5 B10 B12 61.7(2) . . . . ?
B9 B5 B10 B12 -36.8(2) . . . . ?
B6 B5 B10 B12 101.7(2) . . . . ?
B4 B5 B10 B12 0.5(3) . . . . ?
B4 B9 B10 B6 -0.1(3) . . . . ?
B8 B9 B10 B6 -64.0(3) . . . . ?
B12 B9 B10 B6 -101.5(3) . . . . ?
B5 B9 B10 B6 37.4(2) . . . . ?
B4 B9 B10 B11 63.9(3) . . . . ?
B8 B9 B10 B11 0.0(3) . . . . ?
B12 B9 B10 B11 -37.5(2) . . . . ?
B5 B9 B10 B11 101.4(2) . . . . ?
B4 B9 B10 B5 -37.5(2) . . . . ?
B8 B9 B10 B5 -101.4(2) . . . . ?
B12 B9 B10 B5 -138.9(2) . . . . ?
B4 B9 B10 B12 101.5(2) . . . . ?
B8 B9 B10 B12 37.54(19) . . . . ?
B5 B9 B10 B12 138.9(2) . . . . ?
C1 C2 B11 B7 -105.0(2) . . . . ?
B6 C2 B11 B7 -143.5(2) . . . . ?
B3 C2 B11 B7 -35.9(2) . . . . ?
C1 C2 B11 B10 -2.5(3) . . . . ?
B7 C2 B11 B10 102.5(2) . . . . ?
B6 C2 B11 B10 -40.9(2) . . . . ?
B3 C2 B11 B10 66.6(3) . . . . ?
C1 C2 B11 B12 -64.7(3) . . . . ?
B7 C2 B11 B12 40.2(2) . . . . ?
B6 C2 B11 B12 -103.2(2) . . . . ?
B3 C2 B11 B12 4.3(3) . . . . ?
C1 C2 B11 B6 38.5(2) . . . . ?
B7 C2 B11 B6 143.5(2) . . . . ?
B3 C2 B11 B6 107.5(2) . . . . ?
B12 B7 B11 C2 133.5(2) . . . . ?
B3 B7 B11 C2 32.70(19) . . . . ?
B8 B7 B11 C2 95.8(2) . . . . ?
C2 B7 B11 B10 -95.9(2) . . . . ?
B12 B7 B11 B10 37.6(2) . . . . ?
B3 B7 B11 B10 -63.2(3) . . . . ?
B8 B7 B11 B10 -0.1(3) . . . . ?
C2 B7 B11 B12 -133.5(2) . . . . ?
B3 B7 B11 B12 -100.8(2) . . . . ?
B8 B7 B11 B12 -37.7(2) . . . . ?
C2 B7 B11 B6 -32.64(19) . . . . ?
B12 B7 B11 B6 100.8(2) . . . . ?
B3 B7 B11 B6 0.1(3) . . . . ?
B8 B7 B11 B6 63.2(3) . . . . ?
B6 B10 B11 C2 40.6(2) . . . . ?
B5 B10 B11 C2 2.7(3) . . . . ?
B9 B10 B11 C2 -60.9(3) . . . . ?
B12 B10 B11 C2 -98.4(2) . . . . ?
B6 B10 B11 B7 101.6(2) . . . . ?
B5 B10 B11 B7 63.7(3) . . . . ?
B9 B10 B11 B7 0.1(3) . . . . ?
B12 B10 B11 B7 -37.3(2) . . . . ?
B6 B10 B11 B12 139.0(2) . . . . ?
B5 B10 B11 B12 101.1(2) . . . . ?
B9 B10 B11 B12 37.4(2) . . . . ?
B5 B10 B11 B6 -37.9(2) . . . . ?
B9 B10 B11 B6 -101.5(2) . . . . ?
B12 B10 B11 B6 -139.0(2) . . . . ?
C1 B6 B11 C2 -34.33(17) . . . . ?
B10 B6 B11 C2 -132.7(2) . . . . ?
B5 B6 B11 C2 -95.2(2) . . . . ?
C2 B6 B11 B7 32.42(19) . . . . ?
C1 B6 B11 B7 -1.9(3) . . . . ?
B10 B6 B11 B7 -100.2(2) . . . . ?
B5 B6 B11 B7 -62.8(3) . . . . ?
C2 B6 B11 B10 132.7(2) . . . . ?
C1 B6 B11 B10 98.3(2) . . . . ?
B5 B6 B11 B10 37.5(2) . . . . ?
C2 B6 B11 B12 95.8(3) . . . . ?
C1 B6 B11 B12 61.4(3) . . . . ?
B10 B6 B11 B12 -36.9(2) . . . . ?
B5 B6 B11 B12 0.6(3) . . . . ?
C2 B7 B12 B9 -60.8(3) . . . . ?
B11 B7 B12 B9 -100.5(2) . . . . ?
B3 B7 B12 B9 1.2(3) . . . . ?
B8 B7 B12 B9 37.7(2) . . . . ?
C2 B7 B12 B11 39.7(2) . . . . ?
B3 B7 B12 B11 101.7(2) . . . . ?
B8 B7 B12 B11 138.2(2) . . . . ?
C2 B7 B12 B10 2.4(3) . . . . ?
B11 B7 B12 B10 -37.2(2) . . . . ?
B3 B7 B12 B10 64.5(3) . . . . ?
B8 B7 B12 B10 101.0(2) . . . . ?
C2 B7 B12 B8 -98.5(2) . . . . ?
B11 B7 B12 B8 -138.2(2) . . . . ?
B3 B7 B12 B8 -36.5(2) . . . . ?
B4 B9 B12 B7 -0.2(3) . . . . ?
B8 B9 B12 B7 -37.9(2) . . . . ?
B10 B9 B12 B7 100.3(2) . . . . ?
B5 B9 B12 B7 63.6(3) . . . . ?
B4 B9 B12 B11 -63.3(3) . . . . ?
B8 B9 B12 B11 -101.0(2) . . . . ?
B10 B9 B12 B11 37.2(2) . . . . ?
B5 B9 B12 B11 0.5(3) . . . . ?
B4 B9 B12 B10 -100.5(2) . . . . ?
B8 B9 B12 B10 -138.2(2) . . . . ?
B5 B9 B12 B10 -36.7(2) . . . . ?
B4 B9 B12 B8 37.66(19) . . . . ?
B10 B9 B12 B8 138.2(2) . . . . ?
B5 B9 B12 B8 101.5(2) . . . . ?
C2 B11 B12 B7 -39.7(2) . . . . ?
B10 B11 B12 B7 -138.0(2) . . . . ?
B6 B11 B12 B7 -101.3(2) . . . . ?
C2 B11 B12 B9 61.0(3) . . . . ?
B7 B11 B12 B9 100.7(2) . . . . ?
B10 B11 B12 B9 -37.4(2) . . . . ?
B6 B11 B12 B9 -0.7(3) . . . . ?
C2 B11 B12 B10 98.4(2) . . . . ?
B7 B11 B12 B10 138.0(2) . . . . ?
B6 B11 B12 B10 36.7(2) . . . . ?
C2 B11 B12 B8 -2.2(3) . . . . ?
B7 B11 B12 B8 37.5(2) . . . . ?
B10 B11 B12 B8 -100.6(2) . . . . ?
B6 B11 B12 B8 -63.9(3) . . . . ?
B6 B10 B12 B7 0.2(3) . . . . ?
B11 B10 B12 B7 37.3(2) . . . . ?
B5 B10 B12 B7 -63.9(3) . . . . ?
B9 B10 B12 B7 -100.8(2) . . . . ?
B6 B10 B12 B9 100.9(2) . . . . ?
B11 B10 B12 B9 138.1(2) . . . . ?
B5 B10 B12 B9 36.90(19) . . . . ?
B6 B10 B12 B11 -37.1(2) . . . . ?
B5 B10 B12 B11 -101.2(2) . . . . ?
B9 B10 B12 B11 -138.1(2) . . . . ?
B6 B10 B12 B8 63.7(3) . . . . ?
B11 B10 B12 B8 100.8(2) . . . . ?
B5 B10 B12 B8 -0.4(3) . . . . ?
B9 B10 B12 B8 -37.26(19) . . . . ?
B3 B8 B12 B7 36.9(2) . . . . ?
B9 B8 B12 B7 137.7(2) . . . . ?
B4 B8 B12 B7 100.5(2) . . . . ?
B3 B8 B12 B9 -100.8(2) . . . . ?
B7 B8 B12 B9 -137.7(2) . . . . ?
B4 B8 B12 B9 -37.21(18) . . . . ?
B3 B8 B12 B11 -0.4(3) . . . . ?
B9 B8 B12 B11 100.4(2) . . . . ?
B7 B8 B12 B11 -37.3(2) . . . . ?
B4 B8 B12 B11 63.2(3) . . . . ?
B3 B8 B12 B10 -63.5(3) . . . . ?
B9 B8 B12 B10 37.3(2) . . . . ?
B7 B8 B12 B10 -100.3(2) . . . . ?
B4 B8 B12 B10 0.1(3) . . . . ?
C12 B13 B14 C11 -36.15(16) . . . . ?
B18 B13 B14 C11 -134.5(2) . . . . ?
B17 B13 B14 C11 -96.3(2) . . . . ?
C12 B13 B14 B19 60.8(2) . . . . ?
C11 B13 B14 B19 96.9(2) . . . . ?
B18 B13 B14 B19 -37.6(2) . . . . ?
B17 B13 B14 B19 0.6(3) . . . . ?
C12 B13 B14 B18 98.3(2) . . . . ?
C11 B13 B14 B18 134.5(2) . . . . ?
B17 B13 B14 B18 38.2(2) . . . . ?
C12 B13 B14 B15 -3.1(2) . . . . ?
C11 B13 B14 B15 33.05(17) . . . . ?
B18 B13 B14 B15 -101.4(2) . . . . ?
B17 B13 B14 B15 -63.3(2) . . . . ?
B19 B14 B15 C11 -134.58(19) . . . . ?
B13 B14 B15 C11 -33.16(17) . . . . ?
B18 B14 B15 C11 -96.9(2) . . . . ?
C11 B14 B15 B19 134.58(19) . . . . ?
B13 B14 B15 B19 101.4(2) . . . . ?
B18 B14 B15 B19 37.68(19) . . . . ?
C11 B14 B15 B20 96.7(2) . . . . ?
B19 B14 B15 B20 -37.85(19) . . . . ?
B13 B14 B15 B20 63.6(2) . . . . ?
B18 B14 B15 B20 -0.2(3) . . . . ?
C11 B14 B15 B16 33.78(17) . . . . ?
B19 B14 B15 B16 -100.8(2) . . . . ?
B13 B14 B15 B16 0.6(3) . . . . ?
B18 B14 B15 B16 -63.1(2) . . . . ?
C11 B15 B16 C12 35.80(16) . . . . ?
B14 B15 B16 C12 2.1(2) . . . . ?
B19 B15 B16 C12 -61.1(2) . . . . ?
B20 B15 B16 C12 -98.3(2) . . . . ?
B14 B15 B16 C11 -33.66(17) . . . . ?
B19 B15 B16 C11 -96.9(2) . . . . ?
B20 B15 B16 C11 -134.1(2) . . . . ?
C11 B15 B16 B21 96.1(2) . . . . ?
B14 B15 B16 B21 62.4(2) . . . . ?
B19 B15 B16 B21 -0.8(3) . . . . ?
B20 B15 B16 B21 -38.0(2) . . . . ?
C11 B15 B16 B20 134.1(2) . . . . ?
B14 B15 B16 B20 100.4(2) . . . . ?
B19 B15 B16 B20 37.2(2) . . . . ?
C11 B13 B17 C12 34.31(17) . . . . ?
B14 B13 B17 C12 95.6(2) . . . . ?
B18 B13 B17 C12 133.7(2) . . . . ?
C12 B13 B17 B21 -32.54(19) . . . . ?
C11 B13 B17 B21 1.8(3) . . . . ?
B14 B13 B17 B21 63.1(2) . . . . ?
B18 B13 B17 B21 101.1(2) . . . . ?
C12 B13 B17 B22 -96.5(2) . . . . ?
C11 B13 B17 B22 -62.2(2) . . . . ?
B14 B13 B17 B22 -0.8(3) . . . . ?
B18 B13 B17 B22 37.2(2) . . . . ?
C12 B13 B17 B18 -133.7(2) . . . . ?
C11 B13 B17 B18 -99.4(2) . . . . ?
B14 B13 B17 B18 -38.1(2) . . . . ?
C11 B14 B18 B13 39.30(19) . . . . ?
B19 B14 B18 B13 138.4(2) . . . . ?
B15 B14 B18 B13 100.8(2) . . . . ?
C11 B14 B18 B22 -61.7(3) . . . . ?
B19 B14 B18 B22 37.4(2) . . . . ?
B13 B14 B18 B22 -101.0(2) . . . . ?
B15 B14 B18 B22 -0.2(3) . . . . ?
C11 B14 B18 B17 1.2(3) . . . . ?
B19 B14 B18 B17 100.3(2) . . . . ?
B13 B14 B18 B17 -38.1(2) . . . . ?
B15 B14 B18 B17 62.8(3) . . . . ?
C11 B14 B18 B19 -99.1(2) . . . . ?
B13 B14 B18 B19 -138.4(2) . . . . ?
B15 B14 B18 B19 -37.58(19) . . . . ?
C12 B13 B18 B14 -98.1(2) . . . . ?
C11 B13 B18 B14 -39.18(18) . . . . ?
B17 B13 B18 B14 -137.2(2) . . . . ?
C12 B13 B18 B22 2.0(3) . . . . ?
C11 B13 B18 B22 60.9(2) . . . . ?
B14 B13 B18 B22 100.1(2) . . . . ?
B17 B13 B18 B22 -37.1(2) . . . . ?
C12 B13 B18 B17 39.10(19) . . . . ?
C11 B13 B18 B17 98.0(2) . . . . ?
B14 B13 B18 B17 137.2(2) . . . . ?
C12 B13 B18 B19 -61.1(2) . . . . ?
C11 B13 B18 B19 -2.2(3) . . . . ?
B14 B13 B18 B19 37.00(19) . . . . ?
B17 B13 B18 B19 -100.2(2) . . . . ?
C12 B17 B18 B14 -1.9(3) . . . . ?
B21 B17 B18 B14 -62.9(3) . . . . ?
B22 B17 B18 B14 -100.3(2) . . . . ?
B13 B17 B18 B14 38.0(2) . . . . ?
C12 B17 B18 B13 -39.89(19) . . . . ?
B21 B17 B18 B13 -101.0(2) . . . . ?
B22 B17 B18 B13 -138.3(2) . . . . ?
C12 B17 B18 B22 98.5(2) . . . . ?
B21 B17 B18 B22 37.40(19) . . . . ?
B13 B17 B18 B22 138.3(2) . . . . ?
C12 B17 B18 B19 61.0(3) . . . . ?
B21 B17 B18 B19 -0.1(3) . . . . ?
B22 B17 B18 B19 -37.45(19) . . . . ?
B13 B17 B18 B19 100.9(2) . . . . ?
C11 B14 B19 B22 61.6(2) . . . . ?
B13 B14 B19 B22 -0.2(3) . . . . ?
B18 B14 B19 B22 -37.5(2) . . . . ?
B15 B14 B19 B22 100.7(2) . . . . ?
C11 B14 B19 B15 -39.09(17) . . . . ?
B13 B14 B19 B15 -100.9(2) . . . . ?
B18 B14 B19 B15 -138.3(2) . . . . ?
C11 B14 B19 B18 99.2(2) . . . . ?
B13 B14 B19 B18 37.39(19) . . . . ?
B15 B14 B19 B18 138.3(2) . . . . ?
C11 B14 B19 B20 -1.6(3) . . . . ?
B13 B14 B19 B20 -63.3(3) . . . . ?
B18 B14 B19 B20 -100.7(2) . . . . ?
B15 B14 B19 B20 37.5(2) . . . . ?
C11 B15 B19 B14 39.13(17) . . . . ?
B20 B15 B19 B14 137.8(2) . . . . ?
B16 B15 B19 B14 101.0(2) . . . . ?
C11 B15 B19 B22 -61.4(3) . . . . ?
B14 B15 B19 B22 -100.6(2) . . . . ?
B20 B15 B19 B22 37.2(2) . . . . ?
B16 B15 B19 B22 0.5(3) . . . . ?
C11 B15 B19 B18 1.9(3) . . . . ?
B14 B15 B19 B18 -37.21(19) . . . . ?
B20 B15 B19 B18 100.6(2) . . . . ?
B16 B15 B19 B18 63.8(3) . . . . ?
C11 B15 B19 B20 -98.7(2) . . . . ?
B14 B15 B19 B20 -137.8(2) . . . . ?
B16 B15 B19 B20 -36.8(2) . . . . ?
B13 B18 B19 B14 -37.12(19) . . . . ?
B22 B18 B19 B14 -137.9(2) . . . . ?
B17 B18 B19 B14 -100.4(2) . . . . ?
B14 B18 B19 B22 137.9(2) . . . . ?
B13 B18 B19 B22 100.8(2) . . . . ?
B17 B18 B19 B22 37.48(19) . . . . ?
B14 B18 B19 B15 37.28(19) . . . . ?
B13 B18 B19 B15 0.2(3) . . . . ?
B22 B18 B19 B15 -100.6(2) . . . . ?
B17 B18 B19 B15 -63.1(2) . . . . ?
B14 B18 B19 B20 100.5(2) . . . . ?
B13 B18 B19 B20 63.4(3) . . . . ?
B22 B18 B19 B20 -37.41(19) . . . . ?
B17 B18 B19 B20 0.1(3) . . . . ?
C12 B16 B20 B21 -39.47(19) . . . . ?
C11 B16 B20 B21 -98.2(2) . . . . ?
B15 B16 B20 B21 -137.4(2) . . . . ?
C12 B16 B20 B22 -2.3(3) . . . . ?
C11 B16 B20 B22 -61.0(2) . . . . ?
B21 B16 B20 B22 37.2(2) . . . . ?
B15 B16 B20 B22 -100.1(2) . . . . ?
C12 B16 B20 B15 97.9(2) . . . . ?
C11 B16 B20 B15 39.12(18) . . . . ?
B21 B16 B20 B15 137.4(2) . . . . ?
C12 B16 B20 B19 60.9(2) . . . . ?
C11 B16 B20 B19 2.2(3) . . . . ?
B21 B16 B20 B19 100.4(2) . . . . ?
B15 B16 B20 B19 -36.9(2) . . . . ?
C11 B15 B20 B21 -1.6(3) . . . . ?
B14 B15 B20 B21 -63.1(3) . . . . ?
B19 B15 B20 B21 -100.6(2) . . . . ?
B16 B15 B20 B21 38.1(2) . . . . ?
C11 B15 B20 B16 -39.63(18) . . . . ?
B14 B15 B20 B16 -101.1(2) . . . . ?
B19 B15 B20 B16 -138.7(2) . . . . ?
C11 B15 B20 B22 62.0(3) . . . . ?
B14 B15 B20 B22 0.5(3) . . . . ?
B19 B15 B20 B22 -37.1(2) . . . . ?
B16 B15 B20 B22 101.6(2) . . . . ?
C11 B15 B20 B19 99.1(2) . . . . ?
B14 B15 B20 B19 37.6(2) . . . . ?
B16 B15 B20 B19 138.7(2) . . . . ?
B14 B19 B20 B21 63.1(3) . . . . ?
B22 B19 B20 B21 -37.5(2) . . . . ?
B15 B19 B20 B21 100.7(2) . . . . ?
B18 B19 B20 B21 -0.1(3) . . . . ?
B14 B19 B20 B16 -0.4(3) . . . . ?
B22 B19 B20 B16 -101.0(2) . . . . ?
B15 B19 B20 B16 37.2(2) . . . . ?
B18 B19 B20 B16 -63.6(3) . . . . ?
B14 B19 B20 B22 100.6(2) . . . . ?
B15 B19 B20 B22 138.2(2) . . . . ?
B18 B19 B20 B22 37.4(2) . . . . ?
B14 B19 B20 B15 -37.6(2) . . . . ?
B22 B19 B20 B15 -138.2(2) . . . . ?
B18 B19 B20 B15 -100.8(2) . . . . ?
B22 B17 B21 C12 133.4(2) . . . . ?
B13 B17 B21 C12 32.81(19) . . . . ?
B18 B17 B21 C12 96.2(2) . . . . ?
C12 B17 B21 B20 -96.2(2) . . . . ?
B22 B17 B21 B20 37.24(19) . . . . ?
B13 B17 B21 B20 -63.4(3) . . . . ?
B18 B17 B21 B20 0.0(3) . . . . ?
C12 B17 B21 B16 -32.49(19) . . . . ?
B22 B17 B21 B16 101.0(2) . . . . ?
B13 B17 B21 B16 0.3(3) . . . . ?
B18 B17 B21 B16 63.7(3) . . . . ?
C12 B17 B21 B22 -133.4(2) . . . . ?
B13 B17 B21 B22 -100.6(2) . . . . ?
B18 B17 B21 B22 -37.22(19) . . . . ?
B16 B20 B21 C12 40.19(19) . . . . ?
B22 B20 B21 C12 -98.4(2) . . . . ?
B15 B20 B21 C12 1.9(3) . . . . ?
B19 B20 B21 C12 -61.2(2) . . . . ?
B16 B20 B21 B17 101.4(2) . . . . ?
B22 B20 B21 B17 -37.20(19) . . . . ?
B15 B20 B21 B17 63.2(3) . . . . ?
B19 B20 B21 B17 0.0(3) . . . . ?
B22 B20 B21 B16 -138.6(2) . . . . ?
B15 B20 B21 B16 -38.2(2) . . . . ?
B19 B20 B21 B16 -101.4(2) . . . . ?
B16 B20 B21 B22 138.6(2) . . . . ?
B15 B20 B21 B22 100.4(2) . . . . ?
B19 B20 B21 B22 37.22(19) . . . . ?
C11 B16 B21 C12 -34.56(17) . . . . ?
B20 B16 B21 C12 -133.3(2) . . . . ?
B15 B16 B21 C12 -95.2(2) . . . . ?
C12 B16 B21 B17 32.30(19) . . . . ?
C11 B16 B21 B17 -2.3(3) . . . . ?
B20 B16 B21 B17 -101.0(2) . . . . ?
B15 B16 B21 B17 -62.9(3) . . . . ?
C12 B16 B21 B20 133.3(2) . . . . ?
C11 B16 B21 B20 98.7(2) . . . . ?
B15 B16 B21 B20 38.0(2) . . . . ?
C12 B16 B21 B22 96.1(2) . . . . ?
C11 B16 B21 B22 61.5(3) . . . . ?
B20 B16 B21 B22 -37.2(2) . . . . ?
B15 B16 B21 B22 0.8(3) . . . . ?
B14 B19 B22 B17 -0.4(3) . . . . ?
B15 B19 B22 B17 63.0(3) . . . . ?
B18 B19 B22 B17 -37.9(2) . . . . ?
B20 B19 B22 B17 100.2(2) . . . . ?
B14 B19 B22 B18 37.5(2) . . . . ?
B15 B19 B22 B18 100.8(2) . . . . ?
B20 B19 B22 B18 138.0(2) . . . . ?
B14 B19 B22 B20 -100.6(2) . . . . ?
B15 B19 B22 B20 -37.2(2) . . . . ?
B18 B19 B22 B20 -138.0(2) . . . . ?
B14 B19 B22 B21 -63.3(3) . . . . ?
B15 B19 B22 B21 0.0(3) . . . . ?
B18 B19 B22 B21 -100.8(2) . . . . ?
B20 B19 B22 B21 37.2(2) . . . . ?
C12 B17 B22 B19 -60.9(3) . . . . ?
B21 B17 B22 B19 -100.6(2) . . . . ?
B13 B17 B22 B19 0.8(3) . . . . ?
B18 B17 B22 B19 37.9(2) . . . . ?
C12 B17 B22 B18 -98.8(2) . . . . ?
B21 B17 B22 B18 -138.5(2) . . . . ?
B13 B17 B22 B18 -37.14(19) . . . . ?
C12 B17 B22 B20 3.0(3) . . . . ?
B21 B17 B22 B20 -36.71(19) . . . . ?
B13 B17 B22 B20 64.7(3) . . . . ?
B18 B17 B22 B20 101.8(2) . . . . ?
C12 B17 B22 B21 39.69(18) . . . . ?
B13 B17 B22 B21 101.4(2) . . . . ?
B18 B17 B22 B21 138.5(2) . . . . ?
B14 B18 B22 B19 -37.34(19) . . . . ?
B13 B18 B22 B19 -100.6(2) . . . . ?
B17 B18 B22 B19 -137.8(2) . . . . ?
B14 B18 B22 B17 100.4(2) . . . . ?
B13 B18 B22 B17 37.23(19) . . . . ?
B19 B18 B22 B17 137.8(2) . . . . ?
B14 B18 B22 B20 0.5(3) . . . . ?
B13 B18 B22 B20 -62.7(3) . . . . ?
B17 B18 B22 B20 -99.9(2) . . . . ?
B19 B18 B22 B20 37.9(2) . . . . ?
B14 B18 B22 B21 63.6(3) . . . . ?
B13 B18 B22 B21 0.4(3) . . . . ?
B17 B18 B22 B21 -36.9(2) . . . . ?
B19 B18 B22 B21 100.9(2) . . . . ?
B21 B20 B22 B19 138.1(2) . . . . ?
B16 B20 B22 B19 101.0(2) . . . . ?
B15 B20 B22 B19 37.1(2) . . . . ?
B21 B20 B22 B17 36.69(19) . . . . ?
B16 B20 B22 B17 -0.4(3) . . . . ?
B15 B20 B22 B17 -64.3(3) . . . . ?
B19 B20 B22 B17 -101.4(2) . . . . ?
B21 B20 B22 B18 100.3(2) . . . . ?
B16 B20 B22 B18 63.2(3) . . . . ?
B15 B20 B22 B18 -0.6(3) . . . . ?
B19 B20 B22 B18 -37.8(2) . . . . ?
B16 B20 B22 B21 -37.12(19) . . . . ?
B15 B20 B22 B21 -101.0(2) . . . . ?
B19 B20 B22 B21 -138.1(2) . . . . ?
C12 B21 B22 B19 61.2(3) . . . . ?
B17 B21 B22 B19 100.9(2) . . . . ?
B20 B21 B22 B19 -37.7(2) . . . . ?
B16 B21 B22 B19 -0.5(3) . . . . ?
C12 B21 B22 B17 -39.76(18) . . . . ?
B20 B21 B22 B17 -138.6(2) . . . . ?
B16 B21 B22 B17 -101.5(2) . . . . ?
C12 B21 B22 B18 -2.6(3) . . . . ?
B17 B21 B22 B18 37.2(2) . . . . ?
B20 B21 B22 B18 -101.4(2) . . . . ?
B16 B21 B22 B18 -64.3(3) . . . . ?
C12 B21 B22 B20 98.8(2) . . . . ?
B17 B21 B22 B20 138.6(2) . . . . ?
B16 B21 B22 B20 37.1(2) . . . . ?
C4 N1 C3 C1 174.94(19) . . . . ?
C4 N1 C3 S1 -4.5(3) . . . . ?
C2 C1 C3 N1 -30.4(3) . . . . ?
B4 C1 C3 N1 110.3(2) . . . . ?
B5 C1 C3 N1 -172.2(2) . . . . ?
B6 C1 C3 N1 -99.2(2) . . . . ?
B3 C1 C3 N1 38.2(3) . . . . ?
C2 C1 C3 S1 149.19(17) . . . . ?
B4 C1 C3 S1 -70.2(3) . . . . ?
B5 C1 C3 S1 7.3(3) . . . . ?
B6 C1 C3 S1 80.3(2) . . . . ?
B3 C1 C3 S1 -142.23(16) . . . . ?
Rh1 S1 C3 N1 -36.2(2) . . . . ?
Rh1 S1 C3 C1 144.30(15) . . . . ?
C3 N1 C4 C9 -144.5(2) . . . . ?
C3 N1 C4 C5 39.0(3) . . . . ?
C9 C4 C5 C6 -2.4(3) . . . . ?
N1 C4 C5 C6 173.7(2) . . . . ?
C9 C4 C5 Rh1 170.91(17) . . . . ?
N1 C4 C5 Rh1 -12.9(3) . . . . ?
C4 C5 C6 C7 4.7(3) . . . . ?
Rh1 C5 C6 C7 -168.62(17) . . . . ?
C4 C5 C6 N2 -175.1(2) . . . . ?
Rh1 C5 C6 N2 11.5(3) . . . . ?
C10 N2 C6 C7 -158.8(2) . . . . ?
C10 N2 C6 C5 21.0(4) . . . . ?
C5 C6 C7 C8 -2.9(4) . . . . ?
N2 C6 C7 C8 177.0(2) . . . . ?
C6 C7 C8 C9 -1.6(4) . . . . ?
C7 C8 C9 C4 3.9(4) . . . . ?
C5 C4 C9 C8 -1.9(4) . . . . ?
N1 C4 C9 C8 -178.6(2) . . . . ?
C6 N2 C10 C11 169.3(2) . . . . ?
C6 N2 C10 S2 -8.8(4) . . . . ?
Rh1 S2 C10 N2 -24.8(2) . . . . ?
Rh1 S2 C10 C11 157.02(14) . . . . ?
N2 C10 C11 C12 7.4(3) . . . . ?
S2 C10 C11 C12 -174.08(15) . . . . ?
N2 C10 C11 B15 -133.1(2) . . . . ?
S2 C10 C11 B15 45.5(3) . . . . ?
N2 C10 C11 B14 150.2(2) . . . . ?
S2 C10 C11 B14 -31.3(3) . . . . ?
N2 C10 C11 B13 76.9(2) . . . . ?
S2 C10 C11 B13 -104.53(19) . . . . ?
N2 C10 C11 B16 -60.9(3) . . . . ?
S2 C10 C11 B16 117.66(18) . . . . ?
B14 B15 C11 C10 -114.7(2) . . . . ?
B19 B15 C11 C10 -154.2(2) . . . . ?
B20 B15 C11 C10 143.1(2) . . . . ?
B16 B15 C11 C10 103.2(2) . . . . ?
B14 B15 C11 C12 102.83(19) . . . . ?
B19 B15 C11 C12 63.3(2) . . . . ?
B20 B15 C11 C12 0.6(3) . . . . ?
B16 B15 C11 C12 -39.23(18) . . . . ?
B19 B15 C11 B14 -39.55(18) . . . . ?
B20 B15 C11 B14 -102.3(2) . . . . ?
B16 B15 C11 B14 -142.06(19) . . . . ?
B14 B15 C11 B13 36.01(19) . . . . ?
B19 B15 C11 B13 -3.5(3) . . . . ?
B20 B15 C11 B13 -66.2(2) . . . . ?
B16 B15 C11 B13 -106.0(2) . . . . ?
B14 B15 C11 B16 142.06(19) . . . . ?
B19 B15 C11 B16 102.5(2) . . . . ?
B20 B15 C11 B16 39.80(19) . . . . ?
B19 B14 C11 C10 152.3(2) . . . . ?
B13 B14 C11 C10 -104.9(2) . . . . ?
B18 B14 C11 C10 -144.8(2) . . . . ?
B15 B14 C11 C10 112.4(2) . . . . ?
B19 B14 C11 C12 -63.1(2) . . . . ?
B13 B14 C11 C12 39.76(19) . . . . ?
B18 B14 C11 C12 -0.1(3) . . . . ?
B15 B14 C11 C12 -102.9(2) . . . . ?
B19 B14 C11 B15 39.87(18) . . . . ?
B13 B14 C11 B15 142.7(2) . . . . ?
B18 B14 C11 B15 102.8(2) . . . . ?
B19 B14 C11 B13 -102.8(2) . . . . ?
B18 B14 C11 B13 -39.9(2) . . . . ?
B15 B14 C11 B13 -142.7(2) . . . . ?
B19 B14 C11 B16 3.1(3) . . . . ?
B13 B14 C11 B16 106.0(2) . . . . ?
B18 B14 C11 B16 66.1(2) . . . . ?
B15 B14 C11 B16 -36.73(19) . . . . ?
C12 B13 C11 C10 -106.7(2) . . . . ?
B14 B13 C11 C10 116.4(2) . . . . ?
B18 B13 C11 C10 156.17(19) . . . . ?
B17 B13 C11 C10 -141.42(19) . . . . ?
B14 B13 C11 C12 -136.9(2) . . . . ?
B18 B13 C11 C12 -97.1(2) . . . . ?
B17 B13 C11 C12 -34.71(18) . . . . ?
C12 B13 C11 B15 100.8(2) . . . . ?
B14 B13 C11 B15 -36.09(19) . . . . ?
B18 B13 C11 B15 3.6(3) . . . . ?
B17 B13 C11 B15 66.1(2) . . . . ?
C12 B13 C11 B14 136.9(2) . . . . ?
B18 B13 C11 B14 39.74(18) . . . . ?
B17 B13 C11 B14 102.2(2) . . . . ?
C12 B13 C11 B16 31.28(19) . . . . ?
B14 B13 C11 B16 -105.6(2) . . . . ?
B18 B13 C11 B16 -65.8(2) . . . . ?
B17 B13 C11 B16 -3.4(3) . . . . ?
C12 B16 C11 C10 107.4(2) . . . . ?
B21 B16 C11 C10 142.4(2) . . . . ?
B20 B16 C11 C10 -155.5(2) . . . . ?
B15 B16 C11 C10 -115.4(2) . . . . ?
B21 B16 C11 C12 35.08(18) . . . . ?
B20 B16 C11 C12 97.2(2) . . . . ?
B15 B16 C11 C12 137.20(19) . . . . ?
C12 B16 C11 B15 -137.20(19) . . . . ?
B21 B16 C11 B15 -102.1(2) . . . . ?
B20 B16 C11 B15 -40.04(19) . . . . ?
C12 B16 C11 B14 -100.5(2) . . . . ?
B21 B16 C11 B14 -65.4(2) . . . . ?
B20 B16 C11 B14 -3.4(3) . . . . ?
B15 B16 C11 B14 36.67(19) . . . . ?
C12 B16 C11 B13 -31.47(19) . . . . ?
B21 B16 C11 B13 3.6(3) . . . . ?
B20 B16 C11 B13 65.7(2) . . . . ?
B15 B16 C11 B13 105.7(2) . . . . ?
C10 C11 C12 B21 -144.4(2) . . . . ?
B15 C11 C12 B21 0.7(3) . . . . ?
B14 C11 C12 B21 67.8(2) . . . . ?
B13 C11 C12 B21 107.9(2) . . . . ?
B16 C11 C12 B21 -39.30(19) . . . . ?
C10 C11 C12 B17 146.6(2) . . . . ?
B15 C11 C12 B17 -68.2(3) . . . . ?
B14 C11 C12 B17 -1.2(3) . . . . ?
B13 C11 C12 B17 39.0(2) . . . . ?
B16 C11 C12 B17 -108.2(2) . . . . ?
C10 C11 C12 B16 -105.1(2) . . . . ?
B15 C11 C12 B16 40.01(19) . . . . ?
B14 C11 C12 B16 107.1(2) . . . . ?
B13 C11 C12 B16 147.2(2) . . . . ?
C10 C11 C12 B13 107.6(2) . . . . ?
B15 C11 C12 B13 -107.2(2) . . . . ?
B14 C11 C12 B13 -40.14(19) . . . . ?
B16 C11 C12 B13 -147.2(2) . . . . ?
B17 B21 C12 C11 -104.6(2) . . . . ?
B20 B21 C12 C11 -1.7(3) . . . . ?
B16 B21 C12 C11 39.03(19) . . . . ?
B22 B21 C12 C11 -64.1(3) . . . . ?
B20 B21 C12 B17 102.9(2) . . . . ?
B16 B21 C12 B17 143.6(2) . . . . ?
B22 B21 C12 B17 40.53(19) . . . . ?
B17 B21 C12 B16 -143.6(2) . . . . ?
B20 B21 C12 B16 -40.7(2) . . . . ?
B22 B21 C12 B16 -103.1(2) . . . . ?
B17 B21 C12 B13 -36.4(2) . . . . ?
B20 B21 C12 B13 66.6(3) . . . . ?
B16 B21 C12 B13 107.3(2) . . . . ?
B22 B21 C12 B13 4.2(3) . . . . ?
B21 B17 C12 C11 104.8(2) . . . . ?
B22 B17 C12 C11 64.1(3) . . . . ?
B13 B17 C12 C11 -38.4(2) . . . . ?
B18 B17 C12 C11 1.9(3) . . . . ?
B22 B17 C12 B21 -40.70(19) . . . . ?
B13 B17 C12 B21 -143.2(2) . . . . ?
B18 B17 C12 B21 -102.9(2) . . . . ?
B21 B17 C12 B16 35.9(2) . . . . ?
B22 B17 C12 B16 -4.8(3) . . . . ?
B13 B17 C12 B16 -107.3(2) . . . . ?
B18 B17 C12 B16 -67.0(3) . . . . ?
B21 B17 C12 B13 143.2(2) . . . . ?
B22 B17 C12 B13 102.5(2) . . . . ?
B18 B17 C12 B13 40.3(2) . . . . ?
B21 B16 C12 C11 -138.9(2) . . . . ?
B20 B16 C12 C11 -98.5(2) . . . . ?
B15 B16 C12 C11 -36.45(16) . . . . ?
C11 B16 C12 B21 138.9(2) . . . . ?
B20 B16 C12 B21 40.45(19) . . . . ?
B15 B16 C12 B21 102.5(2) . . . . ?
C11 B16 C12 B17 103.0(2) . . . . ?
B21 B16 C12 B17 -35.9(2) . . . . ?
B20 B16 C12 B17 4.5(3) . . . . ?
B15 B16 C12 B17 66.6(2) . . . . ?
C11 B16 C12 B13 31.97(18) . . . . ?
B21 B16 C12 B13 -107.0(2) . . . . ?
B20 B16 C12 B13 -66.5(2) . . . . ?
B15 B16 C12 B13 -4.5(2) . . . . ?
B14 B13 C12 C11 37.05(16) . . . . ?
B18 B13 C12 C11 99.0(2) . . . . ?
B17 B13 C12 C11 139.3(2) . . . . ?
C11 B13 C12 B21 -103.0(2) . . . . ?
B14 B13 C12 B21 -65.9(2) . . . . ?
B18 B13 C12 B21 -4.0(3) . . . . ?
B17 B13 C12 B21 36.3(2) . . . . ?
C11 B13 C12 B17 -139.3(2) . . . . ?
B14 B13 C12 B17 -102.3(2) . . . . ?
B18 B13 C12 B17 -40.28(19) . . . . ?
C11 B13 C12 B16 -32.17(18) . . . . ?
B14 B13 C12 B16 4.9(3) . . . . ?
B18 B13 C12 B16 66.8(2) . . . . ?
B17 B13 C12 B16 107.1(2) . . . . ?
