#------------------------------------------------------------------------------
#$Date: 2024-08-05 21:01:50 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293754 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571742.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_1571742
loop_
_publ_author_name
'Zhu, Mengjie'
'Wang, Puzhao'
'Wu, Zhengqiu'
'Zhong, Yangfa'
'Su, Laiman'
'Xin, Yuquan'
'Spokoyny, Alexander M.'
'Zou, Chao'
'Mu, Xin'
_publ_section_title
;
 A Pd-catalyzed route to carborane-fused boron heterocycles.
;
_journal_issue                   27
_journal_name_full               'Chemical science'
_journal_page_first              10392
_journal_page_last               10401
_journal_paper_doi               10.1039/d4sc02214a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C H2 Cl2, C22 H22 B10 N4'
_chemical_formula_sum            'C23 H24 B10 Cl2 N4'
_chemical_formula_weight         535.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-11-26
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2024-01-04 deposited with the CCDC.	2024-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                108.262(2)
_cell_angle_beta                 111.1410(10)
_cell_angle_gamma                90.935(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9546(4)
_cell_length_b                   11.4754(5)
_cell_length_c                   13.4220(6)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.74
_cell_volume                     1343.46(10)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-2 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            52039
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.503
_diffrn_reflns_theta_min         2.080
_diffrn_source                   TXS
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.265
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.7111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1006 before and 0.0598 after correction.
The Ratio of minimum to maximum transmission is 0.9531.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         8123
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0452
_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)+(0.0665P)²+0.4484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1386
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6313
_reflns_number_total             8123
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc02214a2.cif
_cod_data_source_block           mo_20231125_zh_zhwz228948_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1571739--1571749.cif.
;
_cod_database_code               1571742
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.977
_shelx_estimated_absorpt_t_min   0.966
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups, All N(H) groups
2. Same fragment restrains
{Cl1A, Cl2A, C23A} sigma for 1-2: 0.02, 1-3: 0.02
as in
{Cl1, Cl2, C23}
3. Others
 Sof(Cl1A)=Sof(Cl2A)=Sof(C23A)=Sof(H23C)=Sof(H23D)=1-FVAR(1)
 Sof(Cl1)=Sof(Cl2)=Sof(C23)=Sof(H23A)=Sof(H23B)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C23A(H23C,H23D)
4.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C3(H3A), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21)
4.c Boron cage BH refined with riding coordinates:
 C9(H9), C10(H10), B3(H3B), B4(H4), B5(H5), B6(H6), B7(H7A), B8(H8A), B9(H9A),
 B10(H10A)
;
_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
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
Cl1 Cl 0.7795(3) 0.2372(4) 0.91655(18) 0.0476(4) Uani 0.640(7) 1 d D . P A 1
Cl2 Cl 0.88793(18) 0.2660(2) 0.75049(19) 0.0559(5) Uani 0.640(7) 1 d D . P A 1
C23 C 0.7808(4) 0.1680(3) 0.7782(3) 0.0442(9) Uani 0.640(7) 1 d D . P A 1
H23A H 0.819546 0.088309 0.772333 0.053 Uiso 0.640(7) 1 calc R U P A 1
H23B H 0.680004 0.150545 0.720707 0.053 Uiso 0.640(7) 1 calc R U P A 1
Cl1A Cl 0.7877(6) 0.2188(8) 0.9184(4) 0.0701(18) Uani 0.360(7) 1 d D . P A 2
Cl2A Cl 0.8685(6) 0.2372(7) 0.7332(5) 0.0886(13) Uani 0.360(7) 1 d D . P A 2
C23A C 0.8668(7) 0.1573(5) 0.8232(5) 0.0408(15) Uani 0.360(7) 1 d D . P A 2
H23C H 0.815675 0.072087 0.775690 0.049 Uiso 0.360(7) 1 calc R U P A 2
H23D H 0.968723 0.150293 0.866464 0.049 Uiso 0.360(7) 1 calc R U P A 2
N1 N 0.80914(19) 0.86627(13) 0.65759(16) 0.0504(4) Uani 1 1 d . . . . .
N2 N 0.50194(16) 0.32429(12) 0.66975(12) 0.0377(3) Uani 1 1 d . . . . .
N3 N 0.63535(13) 0.24145(10) 0.45947(9) 0.0249(2) Uani 1 1 d . . . . .
H3 H 0.573921 0.216248 0.484543 0.030 Uiso 1 1 calc R U . . .
N4 N 0.58445(11) 0.21889(10) 0.17760(9) 0.0213(2) Uani 1 1 d . . . . .
C1 C 0.78195(17) 0.76077(13) 0.62767(14) 0.0331(3) Uani 1 1 d . . . . .
C2 C 0.74879(14) 0.62783(12) 0.58797(11) 0.0254(3) Uani 1 1 d . . . . .
C3 C 0.67418(14) 0.57010(12) 0.63351(11) 0.0236(2) Uani 1 1 d . . . . .
H3A H 0.646798 0.618318 0.692969 0.028 Uiso 1 1 calc R U . . .
C4 C 0.63965(13) 0.44159(11) 0.59189(10) 0.0218(2) Uani 1 1 d . . . . .
C5 C 0.56250(15) 0.38052(12) 0.63793(11) 0.0260(3) Uani 1 1 d . . . . .
C6 C 0.67749(14) 0.36662(11) 0.50208(10) 0.0216(2) Uani 1 1 d . . . . .
C7 C 0.75561(16) 0.42805(12) 0.45960(11) 0.0275(3) Uani 1 1 d . . . . .
H7 H 0.785398 0.380719 0.401243 0.033 Uiso 1 1 calc R U . . .
C8 C 0.78975(16) 0.55514(13) 0.50077(12) 0.0290(3) Uani 1 1 d . . . . .
H8 H 0.841608 0.594247 0.469914 0.035 Uiso 1 1 calc R U . . .
C9 C 0.86590(14) -0.00459(12) 0.31048(11) 0.0249(3) Uani 1 1 d . . . . .
H9 H 0.982731 -0.015103 0.326394 0.030 Uiso 1 1 calc R U . . .
C10 C 0.60115(15) -0.10975(11) 0.24693(11) 0.0249(3) Uani 1 1 d . . . . .
H10 H 0.523969 -0.196983 0.217090 0.030 Uiso 1 1 calc R U . . .
C11 C 0.67165(14) 0.31622(11) 0.17672(10) 0.0224(2) Uani 1 1 d . . . . .
C12 C 0.82073(15) 0.33268(13) 0.19989(12) 0.0274(3) Uani 1 1 d . . . . .
H12 H 0.878962 0.271271 0.216750 0.033 Uiso 1 1 calc R U . . .
C13 C 0.88136(17) 0.44111(14) 0.19760(14) 0.0337(3) Uani 1 1 d . . . . .
H13 H 0.982941 0.454637 0.215075 0.040 Uiso 1 1 calc R U . . .
C14 C 0.79621(18) 0.53104(15) 0.17011(14) 0.0370(3) Uani 1 1 d . . . . .
H14 H 0.840588 0.604674 0.169623 0.044 Uiso 1 1 calc R U . . .
C15 C 0.64874(17) 0.51348(13) 0.14380(13) 0.0326(3) Uani 1 1 d . . . . .
H15 H 0.590621 0.573743 0.123781 0.039 Uiso 1 1 calc R U . . .
C16 C 0.58573(15) 0.40575(12) 0.14695(11) 0.0246(3) Uani 1 1 d . . . . .
C17 C 0.43838(14) 0.36025(12) 0.12357(10) 0.0234(2) Uani 1 1 d . . . . .
C18 C 0.30737(16) 0.40792(13) 0.08855(12) 0.0295(3) Uani 1 1 d . . . . .
H18 H 0.306598 0.486537 0.078995 0.035 Uiso 1 1 calc R U . . .
C19 C 0.17968(16) 0.33894(15) 0.06821(12) 0.0335(3) Uani 1 1 d . . . . .
H19 H 0.090221 0.370678 0.045661 0.040 Uiso 1 1 calc R U . . .
C20 C 0.18128(15) 0.22241(15) 0.08063(13) 0.0333(3) Uani 1 1 d . . . . .
H20 H 0.091907 0.175384 0.064601 0.040 Uiso 1 1 calc R U . . .
C21 C 0.30982(14) 0.17342(13) 0.11574(11) 0.0278(3) Uani 1 1 d . . . . .
H21 H 0.309049 0.093614 0.122809 0.033 Uiso 1 1 calc R U . . .
C22 C 0.44009(13) 0.24467(11) 0.14033(10) 0.0214(2) Uani 1 1 d . . . . .
B1 B 0.67366(15) 0.13978(12) 0.37876(11) 0.0210(3) Uani 1 1 d . . . . .
B2 B 0.63875(15) 0.12274(12) 0.22935(11) 0.0197(2) Uani 1 1 d . . . . .
B3 B 0.58926(16) -0.04054(13) 0.14937(12) 0.0238(3) Uani 1 1 d . . . . .
H3B H 0.511085 -0.076093 0.058421 0.029 Uiso 1 1 calc R U . . .
B4 B 0.53177(15) 0.02635(13) 0.26390(12) 0.0220(3) Uani 1 1 d . . . . .
H4 H 0.414602 0.035534 0.247726 0.026 Uiso 1 1 calc R U . . .
B5 B 0.64410(17) -0.01203(13) 0.38321(12) 0.0244(3) Uani 1 1 d . . . . .
H5 H 0.601190 -0.028509 0.444890 0.029 Uiso 1 1 calc R U . . .
B6 B 0.82344(16) 0.05849(14) 0.42618(12) 0.0253(3) Uani 1 1 d . . . . .
H6 H 0.902965 0.089726 0.516659 0.030 Uiso 1 1 calc R U . . .
B7 B 0.82107(15) 0.14185(13) 0.33439(12) 0.0224(3) Uani 1 1 d . . . . .
H7A H 0.899426 0.228727 0.365727 0.027 Uiso 1 1 calc R U . . .
B8 B 0.76893(16) 0.03233(13) 0.19279(12) 0.0235(3) Uani 1 1 d . . . . .
H8A H 0.813371 0.047060 0.131282 0.028 Uiso 1 1 calc R U . . .
B9 B 0.73797(17) -0.11650(14) 0.19981(13) 0.0270(3) Uani 1 1 d . . . . .
H9A H 0.759962 -0.201224 0.141827 0.032 Uiso 1 1 calc R U . . .
B10 B 0.77140(17) -0.10049(14) 0.34334(13) 0.0270(3) Uani 1 1 d . . . . .
H10A H 0.814431 -0.174698 0.378827 0.032 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 '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
Cl1 C23 H23A 109.5 . . ?
Cl1 C23 H23B 109.5 . . ?
Cl2 C23 Cl1 110.8(2) . . ?
Cl2 C23 H23A 109.5 . . ?
Cl2 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
Cl1A C23A Cl2A 117.0(4) . . ?
Cl1A C23A H23C 108.0 . . ?
Cl1A C23A H23D 108.0 . . ?
Cl2A C23A H23C 108.0 . . ?
Cl2A C23A H23D 108.0 . . ?
H23C C23A H23D 107.3 . . ?
C6 N3 H3 114.0 . . ?
C6 N3 B1 132.04(11) . . ?
B1 N3 H3 114.0 . . ?
C11 N4 C22 106.43(10) . . ?
C11 N4 B2 125.79(10) . . ?
C22 N4 B2 126.78(11) . . ?
N1 C1 C2 178.72(17) . . ?
C3 C2 C1 120.70(12) . . ?
C3 C2 C8 119.38(12) . . ?
C8 C2 C1 119.90(12) . . ?
C2 C3 H3A 120.1 . . ?
C2 C3 C4 119.87(11) . . ?
C4 C3 H3A 120.1 . . ?
C3 C4 C5 120.56(11) . . ?
C3 C4 C6 121.57(12) . . ?
C6 C4 C5 117.86(11) . . ?
N2 C5 C4 175.30(14) . . ?
N3 C6 C4 119.96(11) . . ?
N3 C6 C7 123.03(11) . . ?
C7 C6 C4 116.99(11) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.40(12) . . ?
C8 C7 H7 119.3 . . ?
C2 C8 H8 119.6 . . ?
C7 C8 C2 120.75(13) . . ?
C7 C8 H8 119.6 . . ?
B6 C9 H9 117.2 . . ?
B6 C9 B7 62.78(8) . . ?
B6 C9 B8 115.86(9) . . ?
B7 C9 H9 117.6 . . ?
B7 C9 B8 63.37(8) . . ?
B8 C9 H9 117.0 . . ?
B9 C9 H9 117.3 . . ?
B9 C9 B6 115.59(11) . . ?
B9 C9 B7 115.00(10) . . ?
B9 C9 B8 62.52(9) . . ?
B10 C9 H9 117.3 . . ?
B10 C9 B6 62.71(9) . . ?
B10 C9 B7 114.82(10) . . ?
B10 C9 B8 115.57(11) . . ?
B10 C9 B9 63.49(9) . . ?
B3 C10 H10 116.9 . . ?
B3 C10 B5 115.94(10) . . ?
B4 C10 H10 117.7 . . ?
B4 C10 B3 63.27(8) . . ?
B4 C10 B5 63.00(8) . . ?
B5 C10 H10 117.4 . . ?
B9 C10 H10 117.7 . . ?
B9 C10 B3 62.49(9) . . ?
B9 C10 B4 114.58(10) . . ?
B9 C10 B5 114.99(11) . . ?
B9 C10 B10 63.40(9) . . ?
B10 C10 H10 117.4 . . ?
B10 C10 B3 115.71(11) . . ?
B10 C10 B4 114.75(10) . . ?
B10 C10 B5 62.38(9) . . ?
N4 C11 C16 109.90(11) . . ?
C12 C11 N4 130.00(12) . . ?
C12 C11 C16 120.10(12) . . ?
C11 C12 H12 120.9 . . ?
C13 C12 C11 118.24(13) . . ?
C13 C12 H12 120.9 . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.50(14) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.45(14) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.01(13) . . ?
C16 C15 H15 120.5 . . ?
C11 C16 C17 106.90(11) . . ?
C15 C16 C11 120.64(13) . . ?
C15 C16 C17 132.46(12) . . ?
C18 C17 C16 132.43(13) . . ?
C18 C17 C22 120.58(13) . . ?
C22 C17 C16 106.99(11) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 C17 118.94(13) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.24(13) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.1 . . ?
C21 C20 C19 121.88(14) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 120.9 . . ?
C20 C21 C22 118.16(13) . . ?
C22 C21 H21 120.9 . . ?
N4 C22 C17 109.63(11) . . ?
C21 C22 N4 130.22(12) . . ?
C21 C22 C17 120.10(11) . . ?
N3 B1 B2 125.70(10) . . ?
N3 B1 B4 119.10(11) . . ?
N3 B1 B5 116.18(10) . . ?
N3 B1 B6 121.99(11) . . ?
N3 B1 B7 128.85(11) . . ?
B4 B1 B2 59.05(8) . . ?
B4 B1 B5 59.93(8) . . ?
B4 B1 B6 106.32(9) . . ?
B5 B1 B2 107.31(9) . . ?
B5 B1 B6 58.79(8) . . ?
B6 B1 B2 107.51(9) . . ?
B7 B1 B2 59.85(7) . . ?
B7 B1 B4 106.02(9) . . ?
B7 B1 B5 106.27(9) . . ?
B7 B1 B6 59.61(8) . . ?
N4 B2 B1 123.97(10) . . ?
N4 B2 B3 122.31(10) . . ?
N4 B2 B4 125.08(10) . . ?
N4 B2 B7 122.74(10) . . ?
N4 B2 B8 120.88(10) . . ?
B3 B2 B1 106.47(9) . . ?
B3 B2 B7 106.17(9) . . ?
B4 B2 B1 58.54(8) . . ?
B4 B2 B3 59.66(8) . . ?
B4 B2 B7 104.10(9) . . ?
B7 B2 B1 57.93(7) . . ?
B8 B2 B1 106.33(9) . . ?
B8 B2 B3 59.22(8) . . ?
B8 B2 B4 105.97(9) . . ?
B8 B2 B7 60.02(8) . . ?
C10 B3 B2 105.16(9) . . ?
C10 B3 H3B 124.9 . . ?
C10 B3 B4 58.29(8) . . ?
C10 B3 B8 104.12(10) . . ?
C10 B3 B9 58.37(8) . . ?
B2 B3 H3B 121.7 . . ?
B4 B3 B2 60.00(8) . . ?
B4 B3 H3B 122.3 . . ?
B8 B3 B2 59.97(8) . . ?
B8 B3 H3B 122.9 . . ?
B8 B3 B4 106.82(10) . . ?
B9 B3 B2 108.67(10) . . ?
B9 B3 H3B 121.5 . . ?
B9 B3 B4 107.13(10) . . ?
B9 B3 B8 60.11(8) . . ?
C10 B4 B1 105.45(10) . . ?
C10 B4 B2 105.54(9) . . ?
C10 B4 B3 58.44(8) . . ?
C10 B4 H4 125.0 . . ?
C10 B4 B5 58.71(8) . . ?
B1 B4 B2 62.41(8) . . ?
B1 B4 B3 110.07(10) . . ?
B1 B4 H4 120.9 . . ?
B2 B4 H4 120.8 . . ?
B3 B4 B2 60.34(8) . . ?
B3 B4 H4 121.1 . . ?
B5 B4 B1 60.10(8) . . ?
B5 B4 B2 110.12(10) . . ?
B5 B4 B3 108.38(10) . . ?
B5 B4 H4 121.1 . . ?
C10 B5 B1 105.02(10) . . ?
C10 B5 B4 58.28(8) . . ?
C10 B5 H5 125.1 . . ?
C10 B5 B6 104.54(10) . . ?
C10 B5 B10 58.51(8) . . ?
B1 B5 H5 121.5 . . ?
B4 B5 B1 59.97(8) . . ?
B4 B5 H5 121.9 . . ?
B6 B5 B1 60.97(8) . . ?
B6 B5 B4 108.06(10) . . ?
B6 B5 H5 122.1 . . ?
B6 B5 B10 60.14(9) . . ?
B10 B5 B1 109.24(10) . . ?
B10 B5 B4 107.67(10) . . ?
B10 B5 H5 121.2 . . ?
C9 B6 B1 104.58(10) . . ?
C9 B6 B5 104.03(10) . . ?
C9 B6 H6 125.1 . . ?
C9 B6 B7 58.79(8) . . ?
C9 B6 B10 58.38(8) . . ?
B1 B6 H6 122.1 . . ?
B5 B6 B1 60.25(8) . . ?
B5 B6 H6 122.7 . . ?
B5 B6 B7 107.36(10) . . ?
B5 B6 B10 60.10(8) . . ?
B7 B6 B1 59.53(8) . . ?
B7 B6 H6 121.8 . . ?
B10 B6 B1 108.64(10) . . ?
B10 B6 H6 121.2 . . ?
B10 B6 B7 107.96(10) . . ?
C9 B7 B1 105.33(10) . . ?
C9 B7 B2 104.70(10) . . ?
C9 B7 B6 58.43(8) . . ?
C9 B7 H7A 125.2 . . ?
C9 B7 B8 58.50(8) . . ?
B1 B7 B2 62.22(8) . . ?
B1 B7 B6 60.86(8) . . ?
B1 B7 H7A 120.9 . . ?
B1 B7 B8 109.12(10) . . ?
B2 B7 H7A 121.3 . . ?
B6 B7 B2 110.35(10) . . ?
B6 B7 H7A 120.7 . . ?
B6 B7 B8 108.20(10) . . ?
B8 B7 B2 59.24(8) . . ?
B8 B7 H7A 121.8 . . ?
C9 B8 B2 105.59(9) . . ?
C9 B8 B3 103.99(10) . . ?
C9 B8 B7 58.13(8) . . ?
C9 B8 H8A 125.2 . . ?
C9 B8 B9 58.13(8) . . ?
B2 B8 B7 60.74(7) . . ?
B2 B8 H8A 121.0 . . ?
B3 B8 B2 60.81(8) . . ?
B3 B8 B7 107.96(10) . . ?
B3 B8 H8A 122.5 . . ?
B7 B8 H8A 121.8 . . ?
B9 B8 B2 109.01(10) . . ?
B9 B8 B3 59.69(8) . . ?
B9 B8 B7 107.07(10) . . ?
B9 B8 H8A 121.8 . . ?
C9 B9 B3 105.33(10) . . ?
C9 B9 B8 59.35(8) . . ?
C9 B9 H9A 125.6 . . ?
C9 B9 B10 58.22(8) . . ?
C10 B9 C9 100.47(10) . . ?
C10 B9 B3 59.14(8) . . ?
C10 B9 B8 104.78(10) . . ?
C10 B9 H9A 125.8 . . ?
C10 B9 B10 58.53(8) . . ?
B3 B9 B8 60.21(8) . . ?
B3 B9 H9A 121.4 . . ?
B3 B9 B10 108.89(10) . . ?
B8 B9 H9A 121.7 . . ?
B8 B9 B10 108.60(10) . . ?
B10 B9 H9A 121.0 . . ?
C9 B10 C10 100.18(10) . . ?
C9 B10 B5 104.18(10) . . ?
C9 B10 B6 58.91(8) . . ?
C9 B10 B9 58.28(9) . . ?
C9 B10 H10A 126.0 . . ?
C10 B10 B5 59.11(8) . . ?
C10 B10 B6 104.71(10) . . ?
C10 B10 B9 58.07(8) . . ?
C10 B10 H10A 125.8 . . ?
B5 B10 B6 59.76(8) . . ?
B5 B10 B9 107.92(10) . . ?
B5 B10 H10A 122.1 . . ?
B6 B10 B9 108.16(10) . . ?
B6 B10 H10A 121.9 . . ?
B9 B10 H10A 121.4 . . ?
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
Cl1 C23 1.782(4) . ?
Cl2 C23 1.746(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
Cl1A C23A 1.712(7) . ?
Cl2A C23A 1.735(6) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
N1 C1 1.143(2) . ?
N2 C5 1.1436(19) . ?
N3 H3 0.8800 . ?
N3 C6 1.3633(16) . ?
N3 B1 1.4834(16) . ?
N4 C11 1.4090(17) . ?
N4 C22 1.4111(15) . ?
N4 B2 1.4903(16) . ?
C1 C2 1.4378(19) . ?
C2 C3 1.3889(19) . ?
C2 C8 1.4056(18) . ?
C3 H3A 0.9500 . ?
C3 C4 1.3906(17) . ?
C4 C5 1.4349(18) . ?
C4 C6 1.4224(16) . ?
C6 C7 1.4074(18) . ?
C7 H7 0.9500 . ?
C7 C8 1.3751(19) . ?
C8 H8 0.9500 . ?
C9 H9 1.1200 . ?
C9 B6 1.701(2) . ?
C9 B7 1.7076(18) . ?
C9 B8 1.7144(19) . ?
C9 B9 1.692(2) . ?
C9 B10 1.691(2) . ?
C10 H10 1.1200 . ?
C10 B3 1.704(2) . ?
C10 B4 1.7011(18) . ?
C10 B5 1.7090(19) . ?
C10 B9 1.690(2) . ?
C10 B10 1.698(2) . ?
C11 C12 1.3985(18) . ?
C11 C16 1.4093(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.400(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.376(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.3965(19) . ?
C16 C17 1.4362(19) . ?
C17 C18 1.4012(18) . ?
C17 C22 1.4125(17) . ?
C18 H18 0.9500 . ?
C18 C19 1.378(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.3893(19) . ?
C21 H21 0.9500 . ?
C21 C22 1.3952(19) . ?
B1 B2 1.8520(19) . ?
B1 B4 1.783(2) . ?
B1 B5 1.785(2) . ?
B1 B6 1.798(2) . ?
B1 B7 1.774(2) . ?
B2 B3 1.7982(19) . ?
B2 B4 1.792(2) . ?
B2 B7 1.8103(19) . ?
B2 B8 1.7832(19) . ?
B3 H3B 1.1200 . ?
B3 B4 1.786(2) . ?
B3 B8 1.770(2) . ?
B3 B9 1.760(2) . ?
B4 H4 1.1200 . ?
B4 B5 1.782(2) . ?
B5 H5 1.1200 . ?
B5 B6 1.758(2) . ?
B5 B10 1.764(2) . ?
B6 H6 1.1200 . ?
B6 B7 1.775(2) . ?
B6 B10 1.765(2) . ?
B7 H7A 1.1200 . ?
B7 B8 1.797(2) . ?
B8 H8A 1.1200 . ?
B8 B9 1.768(2) . ?
B9 H9A 1.1200 . ?
B9 B10 1.780(2) . ?
B10 H10A 1.1200 . ?
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
N3 C6 C7 C8 176.59(13) . . . . ?
N3 B1 B2 N4 8.08(19) . . . . ?
N3 B1 B2 B3 -142.53(12) . . . . ?
N3 B1 B2 B4 -105.51(14) . . . . ?
N3 B1 B2 B7 118.41(14) . . . . ?
N3 B1 B2 B8 155.47(12) . . . . ?
N3 B1 B4 C10 -143.84(11) . . . . ?
N3 B1 B4 B2 116.42(12) . . . . ?
N3 B1 B4 B3 154.66(11) . . . . ?
N3 B1 B4 B5 -105.14(12) . . . . ?
N3 B1 B5 C10 148.36(11) . . . . ?
N3 B1 B5 B4 109.97(12) . . . . ?
N3 B1 B5 B6 -113.10(12) . . . . ?
N3 B1 B5 B10 -150.26(11) . . . . ?
N3 B1 B6 C9 -158.68(11) . . . . ?
N3 B1 B6 B5 103.28(13) . . . . ?
N3 B1 B6 B7 -119.41(13) . . . . ?
N3 B1 B6 B10 140.27(12) . . . . ?
N3 B1 B7 C9 147.69(12) . . . . ?
N3 B1 B7 B2 -113.50(14) . . . . ?
N3 B1 B7 B6 108.44(14) . . . . ?
N3 B1 B7 B8 -150.89(12) . . . . ?
N4 C11 C12 C13 -177.25(13) . . . . ?
N4 C11 C16 C15 177.97(12) . . . . ?
N4 C11 C16 C17 -2.54(14) . . . . ?
N4 B2 B3 C10 -152.95(11) . . . . ?
N4 B2 B3 B4 -114.69(13) . . . . ?
N4 B2 B3 B8 109.28(13) . . . . ?
N4 B2 B3 B9 145.87(11) . . . . ?
N4 B2 B4 C10 148.64(11) . . . . ?
N4 B2 B4 B1 -111.77(13) . . . . ?
N4 B2 B4 B3 110.23(13) . . . . ?
N4 B2 B4 B5 -149.54(11) . . . . ?
N4 B2 B7 C9 -147.78(11) . . . . ?
N4 B2 B7 B1 112.40(12) . . . . ?
N4 B2 B7 B6 150.91(11) . . . . ?
N4 B2 B7 B8 -109.48(13) . . . . ?
N4 B2 B8 C9 150.80(11) . . . . ?
N4 B2 B8 B3 -111.63(13) . . . . ?
N4 B2 B8 B7 112.49(13) . . . . ?
N4 B2 B8 B9 -148.13(11) . . . . ?
C1 C2 C3 C4 178.27(13) . . . . ?
C1 C2 C8 C7 -178.27(14) . . . . ?
C2 C3 C4 C5 -179.94(12) . . . . ?
C2 C3 C4 C6 -0.73(19) . . . . ?
C3 C2 C8 C7 0.6(2) . . . . ?
C3 C4 C6 N3 -176.63(12) . . . . ?
C3 C4 C6 C7 1.98(19) . . . . ?
C4 C6 C7 C8 -2.0(2) . . . . ?
C5 C4 C6 N3 2.60(18) . . . . ?
C5 C4 C6 C7 -178.79(12) . . . . ?
C6 N3 B1 B2 -61.1(2) . . . . ?
C6 N3 B1 B4 -132.16(14) . . . . ?
C6 N3 B1 B5 159.27(13) . . . . ?
C6 N3 B1 B6 91.22(17) . . . . ?
C6 N3 B1 B7 16.4(2) . . . . ?
C6 C7 C8 C2 0.7(2) . . . . ?
C8 C2 C3 C4 -0.6(2) . . . . ?
C9 B6 B7 B1 134.25(10) . . . . ?
C9 B6 B7 B2 95.15(10) . . . . ?
C9 B6 B7 B8 32.04(9) . . . . ?
C9 B6 B10 C10 -93.16(11) . . . . ?
C9 B6 B10 B5 -133.04(10) . . . . ?
C9 B6 B10 B9 -32.46(10) . . . . ?
C9 B7 B8 B2 135.33(10) . . . . ?
C9 B7 B8 B3 95.61(11) . . . . ?
C9 B7 B8 B9 32.71(9) . . . . ?
C9 B8 B9 C10 93.57(11) . . . . ?
C9 B8 B9 B3 133.90(10) . . . . ?
C9 B8 B9 B10 32.31(10) . . . . ?
C9 B9 B10 C10 129.04(10) . . . . ?
C9 B9 B10 B5 95.90(11) . . . . ?
C9 B9 B10 B6 32.70(9) . . . . ?
C10 B3 B4 B1 96.23(11) . . . . ?
C10 B3 B4 B2 135.37(10) . . . . ?
C10 B3 B4 B5 32.19(10) . . . . ?
C10 B3 B8 C9 0.69(11) . . . . ?
C10 B3 B8 B2 -99.56(10) . . . . ?
C10 B3 B8 B7 -59.88(11) . . . . ?
C10 B3 B8 B9 39.79(9) . . . . ?
C10 B3 B9 C9 -93.20(11) . . . . ?
C10 B3 B9 B8 -133.20(10) . . . . ?
C10 B3 B9 B10 -32.10(10) . . . . ?
C10 B4 B5 B1 135.16(10) . . . . ?
C10 B4 B5 B6 96.25(11) . . . . ?
C10 B4 B5 B10 32.72(10) . . . . ?
C10 B5 B6 C9 0.36(12) . . . . ?
C10 B5 B6 B1 99.33(10) . . . . ?
C10 B5 B6 B7 61.58(12) . . . . ?
C10 B5 B6 B10 -39.54(9) . . . . ?
C10 B5 B10 C9 93.51(11) . . . . ?
C10 B5 B10 B6 133.72(11) . . . . ?
C10 B5 B10 B9 32.73(10) . . . . ?
C10 B9 B10 C9 -129.04(10) . . . . ?
C10 B9 B10 B5 -33.14(10) . . . . ?
C10 B9 B10 B6 -96.34(11) . . . . ?
C11 N4 C22 C17 -3.75(13) . . . . ?
C11 N4 C22 C21 173.48(13) . . . . ?
C11 N4 B2 B1 89.60(15) . . . . ?
C11 N4 B2 B3 -124.24(13) . . . . ?
C11 N4 B2 B4 162.39(11) . . . . ?
C11 N4 B2 B7 18.74(17) . . . . ?
C11 N4 B2 B8 -53.34(17) . . . . ?
C11 C12 C13 C14 -1.6(2) . . . . ?
C11 C16 C17 C18 -178.70(13) . . . . ?
C11 C16 C17 C22 0.18(14) . . . . ?
C12 C11 C16 C15 -2.08(19) . . . . ?
C12 C11 C16 C17 177.42(11) . . . . ?
C12 C13 C14 C15 -0.4(2) . . . . ?
C13 C14 C15 C16 1.2(2) . . . . ?
C14 C15 C16 C11 0.1(2) . . . . ?
C14 C15 C16 C17 -179.29(14) . . . . ?
C15 C16 C17 C18 0.7(3) . . . . ?
C15 C16 C17 C22 179.59(14) . . . . ?
C16 C11 C12 C13 2.8(2) . . . . ?
C16 C17 C18 C19 177.30(13) . . . . ?
C16 C17 C22 N4 2.23(13) . . . . ?
C16 C17 C22 C21 -175.32(11) . . . . ?
C17 C18 C19 C20 -1.1(2) . . . . ?
C18 C17 C22 N4 -178.73(11) . . . . ?
C18 C17 C22 C21 3.72(18) . . . . ?
C18 C19 C20 C21 1.4(2) . . . . ?
C19 C20 C21 C22 0.9(2) . . . . ?
C20 C21 C22 N4 179.67(13) . . . . ?
C20 C21 C22 C17 -3.35(19) . . . . ?
C22 N4 C11 C12 -176.07(13) . . . . ?
C22 N4 C11 C16 3.87(13) . . . . ?
C22 N4 B2 B1 -77.38(16) . . . . ?
C22 N4 B2 B3 68.78(16) . . . . ?
C22 N4 B2 B4 -4.58(18) . . . . ?
C22 N4 B2 B7 -148.24(11) . . . . ?
C22 N4 B2 B8 139.68(12) . . . . ?
C22 C17 C18 C19 -1.46(19) . . . . ?
B1 N3 C6 C4 -170.82(13) . . . . ?
B1 N3 C6 C7 10.7(2) . . . . ?
B1 B2 B3 C10 -1.74(12) . . . . ?
B1 B2 B3 B4 36.52(9) . . . . ?
B1 B2 B3 B8 -99.51(10) . . . . ?
B1 B2 B3 B9 -62.92(12) . . . . ?
B1 B2 B4 C10 -99.60(10) . . . . ?
B1 B2 B4 B3 -138.01(10) . . . . ?
B1 B2 B4 B5 -37.77(9) . . . . ?
B1 B2 B7 C9 99.82(10) . . . . ?
B1 B2 B7 B6 38.51(9) . . . . ?
B1 B2 B7 B8 138.12(10) . . . . ?
B1 B2 B8 C9 2.18(12) . . . . ?
B1 B2 B8 B3 99.75(10) . . . . ?
B1 B2 B8 B7 -36.12(9) . . . . ?
B1 B2 B8 B9 63.26(12) . . . . ?
B1 B4 B5 C10 -135.16(10) . . . . ?
B1 B4 B5 B6 -38.91(9) . . . . ?
B1 B4 B5 B10 -102.44(11) . . . . ?
B1 B5 B6 C9 -98.97(10) . . . . ?
B1 B5 B6 B7 -37.75(9) . . . . ?
B1 B5 B6 B10 -138.88(10) . . . . ?
B1 B5 B10 C9 -2.69(13) . . . . ?
B1 B5 B10 C10 -96.20(11) . . . . ?
B1 B5 B10 B6 37.52(10) . . . . ?
B1 B5 B10 B9 -63.47(13) . . . . ?
B1 B6 B7 C9 -134.25(10) . . . . ?
B1 B6 B7 B2 -39.10(9) . . . . ?
B1 B6 B7 B8 -102.21(10) . . . . ?
B1 B6 B10 C9 95.98(11) . . . . ?
B1 B6 B10 C10 2.83(13) . . . . ?
B1 B6 B10 B5 -37.05(10) . . . . ?
B1 B6 B10 B9 63.53(13) . . . . ?
B1 B7 B8 C9 -96.64(11) . . . . ?
B1 B7 B8 B2 38.69(9) . . . . ?
B1 B7 B8 B3 -1.02(13) . . . . ?
B1 B7 B8 B9 -63.93(12) . . . . ?
B2 N4 C11 C12 14.8(2) . . . . ?
B2 N4 C11 C16 -165.28(11) . . . . ?
B2 N4 C22 C17 165.27(11) . . . . ?
B2 N4 C22 C21 -17.5(2) . . . . ?
B2 B1 B4 C10 99.74(10) . . . . ?
B2 B1 B4 B3 38.24(9) . . . . ?
B2 B1 B4 B5 138.44(10) . . . . ?
B2 B1 B5 C10 1.81(12) . . . . ?
B2 B1 B5 B4 -36.58(9) . . . . ?
B2 B1 B5 B6 100.34(10) . . . . ?
B2 B1 B5 B10 63.18(12) . . . . ?
B2 B1 B6 C9 -1.97(13) . . . . ?
B2 B1 B6 B5 -100.01(10) . . . . ?
B2 B1 B6 B7 37.30(9) . . . . ?
B2 B1 B6 B10 -63.01(12) . . . . ?
B2 B1 B7 C9 -98.81(10) . . . . ?
B2 B1 B7 B6 -138.06(10) . . . . ?
B2 B1 B7 B8 -37.39(9) . . . . ?
B2 B3 B4 C10 -135.37(10) . . . . ?
B2 B3 B4 B1 -39.14(9) . . . . ?
B2 B3 B4 B5 -103.18(11) . . . . ?
B2 B3 B8 C9 100.25(10) . . . . ?
B2 B3 B8 B7 39.68(9) . . . . ?
B2 B3 B8 B9 139.35(10) . . . . ?
B2 B3 B9 C9 3.47(13) . . . . ?
B2 B3 B9 C10 96.67(10) . . . . ?
B2 B3 B9 B8 -36.53(9) . . . . ?
B2 B3 B9 B10 64.57(13) . . . . ?
B2 B4 B5 C10 -96.39(10) . . . . ?
B2 B4 B5 B1 38.77(9) . . . . ?
B2 B4 B5 B6 -0.14(13) . . . . ?
B2 B4 B5 B10 -63.66(12) . . . . ?
B2 B7 B8 C9 -135.33(10) . . . . ?
B2 B7 B8 B3 -39.71(9) . . . . ?
B2 B7 B8 B9 -102.62(11) . . . . ?
B2 B8 B9 C9 -96.92(10) . . . . ?
B2 B8 B9 C10 -3.36(13) . . . . ?
B2 B8 B9 B3 36.97(10) . . . . ?
B2 B8 B9 B10 -64.61(13) . . . . ?
B3 C10 B4 B1 -104.36(11) . . . . ?
B3 C10 B4 B2 -39.32(9) . . . . ?
B3 C10 B4 B5 -143.72(11) . . . . ?
B3 C10 B5 B1 -3.22(14) . . . . ?
B3 C10 B5 B4 35.99(11) . . . . ?
B3 C10 B5 B6 -66.50(13) . . . . ?
B3 C10 B5 B10 -106.85(12) . . . . ?
B3 C10 B9 C9 101.70(10) . . . . ?
B3 C10 B9 B8 40.86(9) . . . . ?
B3 C10 B9 B10 143.88(10) . . . . ?
B3 C10 B10 C9 6.70(13) . . . . ?
B3 C10 B10 B5 107.21(11) . . . . ?
B3 C10 B10 B6 67.01(13) . . . . ?
B3 C10 B10 B9 -35.47(10) . . . . ?
B3 B2 B4 C10 38.41(9) . . . . ?
B3 B2 B4 B1 138.01(10) . . . . ?
B3 B2 B4 B5 100.24(10) . . . . ?
B3 B2 B7 C9 0.23(12) . . . . ?
B3 B2 B7 B1 -99.60(10) . . . . ?
B3 B2 B7 B6 -61.09(12) . . . . ?
B3 B2 B7 B8 38.52(9) . . . . ?
B3 B2 B8 C9 -97.57(11) . . . . ?
B3 B2 B8 B7 -135.87(10) . . . . ?
B3 B2 B8 B9 -36.49(10) . . . . ?
B3 B4 B5 C10 -32.09(10) . . . . ?
B3 B4 B5 B1 103.07(11) . . . . ?
B3 B4 B5 B6 64.16(12) . . . . ?
B3 B4 B5 B10 0.64(14) . . . . ?
B3 B8 B9 C9 -133.90(10) . . . . ?
B3 B8 B9 C10 -40.33(9) . . . . ?
B3 B8 B9 B10 -101.59(11) . . . . ?
B3 B9 B10 C9 -96.71(11) . . . . ?
B3 B9 B10 C10 32.33(10) . . . . ?
B3 B9 B10 B5 -0.81(15) . . . . ?
B3 B9 B10 B6 -64.00(14) . . . . ?
B4 C10 B3 B2 39.08(9) . . . . ?
B4 C10 B3 B8 101.27(10) . . . . ?
B4 C10 B3 B9 141.94(11) . . . . ?
B4 C10 B5 B1 -39.20(9) . . . . ?
B4 C10 B5 B6 -102.49(11) . . . . ?
B4 C10 B5 B10 -142.84(11) . . . . ?
B4 C10 B9 C9 64.43(13) . . . . ?
B4 C10 B9 B3 -37.27(10) . . . . ?
B4 C10 B9 B8 3.60(14) . . . . ?
B4 C10 B9 B10 106.61(12) . . . . ?
B4 C10 B10 C9 -64.17(13) . . . . ?
B4 C10 B10 B5 36.35(10) . . . . ?
B4 C10 B10 B6 -3.86(14) . . . . ?
B4 C10 B10 B9 -106.34(12) . . . . ?
B4 B1 B2 N4 113.59(13) . . . . ?
B4 B1 B2 B3 -37.02(9) . . . . ?
B4 B1 B2 B7 -136.08(10) . . . . ?
B4 B1 B2 B8 -99.02(10) . . . . ?
B4 B1 B5 C10 38.39(9) . . . . ?
B4 B1 B5 B6 136.93(10) . . . . ?
B4 B1 B5 B10 99.76(11) . . . . ?
B4 B1 B6 C9 60.03(12) . . . . ?
B4 B1 B6 B5 -38.01(9) . . . . ?
B4 B1 B6 B7 99.30(10) . . . . ?
B4 B1 B6 B10 -1.02(13) . . . . ?
B4 B1 B7 C9 -60.57(11) . . . . ?
B4 B1 B7 B2 38.24(9) . . . . ?
B4 B1 B7 B6 -99.82(10) . . . . ?
B4 B1 B7 B8 0.85(12) . . . . ?
B4 B2 B3 C10 -38.26(9) . . . . ?
B4 B2 B3 B8 -136.03(10) . . . . ?
B4 B2 B3 B9 -99.44(11) . . . . ?
B4 B2 B7 C9 62.23(11) . . . . ?
B4 B2 B7 B1 -37.60(8) . . . . ?
B4 B2 B7 B6 0.91(12) . . . . ?
B4 B2 B7 B8 100.52(10) . . . . ?
B4 B2 B8 C9 -59.02(12) . . . . ?
B4 B2 B8 B3 38.55(9) . . . . ?
B4 B2 B8 B7 -97.32(10) . . . . ?
B4 B2 B8 B9 2.06(13) . . . . ?
B4 B3 B8 C9 61.34(11) . . . . ?
B4 B3 B8 B2 -38.91(9) . . . . ?
B4 B3 B8 B7 0.77(13) . . . . ?
B4 B3 B8 B9 100.44(11) . . . . ?
B4 B3 B9 C9 -59.91(13) . . . . ?
B4 B3 B9 C10 33.29(9) . . . . ?
B4 B3 B9 B8 -99.91(11) . . . . ?
B4 B3 B9 B10 1.19(14) . . . . ?
B4 B5 B6 C9 -60.52(12) . . . . ?
B4 B5 B6 B1 38.46(9) . . . . ?
B4 B5 B6 B7 0.70(13) . . . . ?
B4 B5 B6 B10 -100.42(11) . . . . ?
B4 B5 B10 C9 60.88(13) . . . . ?
B4 B5 B10 C10 -32.63(10) . . . . ?
B4 B5 B10 B6 101.09(11) . . . . ?
B4 B5 B10 B9 0.10(14) . . . . ?
B5 C10 B3 B2 3.19(14) . . . . ?
B5 C10 B3 B4 -35.89(10) . . . . ?
B5 C10 B3 B8 65.38(12) . . . . ?
B5 C10 B3 B9 106.04(12) . . . . ?
B5 C10 B4 B1 39.36(9) . . . . ?
B5 C10 B4 B2 104.41(10) . . . . ?
B5 C10 B4 B3 143.72(11) . . . . ?
B5 C10 B9 C9 -5.84(13) . . . . ?
B5 C10 B9 B3 -107.54(11) . . . . ?
B5 C10 B9 B8 -66.68(13) . . . . ?
B5 C10 B9 B10 36.34(10) . . . . ?
B5 C10 B10 C9 -100.52(10) . . . . ?
B5 C10 B10 B6 -40.20(10) . . . . ?
B5 C10 B10 B9 -142.68(11) . . . . ?
B5 B1 B2 N4 150.56(11) . . . . ?
B5 B1 B2 B3 -0.05(12) . . . . ?
B5 B1 B2 B4 36.97(9) . . . . ?
B5 B1 B2 B7 -99.11(10) . . . . ?
B5 B1 B2 B8 -62.05(12) . . . . ?
B5 B1 B4 C10 -38.70(9) . . . . ?
B5 B1 B4 B2 -138.44(10) . . . . ?
B5 B1 B4 B3 -100.20(11) . . . . ?
B5 B1 B6 C9 98.04(11) . . . . ?
B5 B1 B6 B7 137.31(10) . . . . ?
B5 B1 B6 B10 36.99(10) . . . . ?
B5 B1 B7 C9 2.09(12) . . . . ?
B5 B1 B7 B2 100.90(10) . . . . ?
B5 B1 B7 B6 -37.16(9) . . . . ?
B5 B1 B7 B8 63.51(12) . . . . ?
B5 B6 B7 C9 -96.18(11) . . . . ?
B5 B6 B7 B1 38.08(9) . . . . ?
B5 B6 B7 B2 -1.02(13) . . . . ?
B5 B6 B7 B8 -64.13(12) . . . . ?
B5 B6 B10 C9 133.04(10) . . . . ?
B5 B6 B10 C10 39.88(10) . . . . ?
B5 B6 B10 B9 100.58(11) . . . . ?
B6 C9 B7 B1 -40.44(9) . . . . ?
B6 C9 B7 B2 -105.11(10) . . . . ?
B6 C9 B7 B8 -143.77(11) . . . . ?
B6 C9 B8 B2 -3.81(14) . . . . ?
B6 C9 B8 B3 -66.92(13) . . . . ?
B6 C9 B8 B7 35.74(11) . . . . ?
B6 C9 B8 B9 -106.79(12) . . . . ?
B6 C9 B9 C10 6.15(13) . . . . ?
B6 C9 B9 B3 66.80(13) . . . . ?
B6 C9 B9 B8 107.22(11) . . . . ?
B6 C9 B9 B10 -36.20(10) . . . . ?
B6 C9 B10 C10 101.12(10) . . . . ?
B6 C9 B10 B5 40.64(10) . . . . ?
B6 C9 B10 B9 143.17(10) . . . . ?
B6 B1 B2 N4 -147.53(12) . . . . ?
B6 B1 B2 B3 61.86(12) . . . . ?
B6 B1 B2 B4 98.88(10) . . . . ?
B6 B1 B2 B7 -37.20(9) . . . . ?
B6 B1 B2 B8 -0.14(13) . . . . ?
B6 B1 B4 C10 -1.21(12) . . . . ?
B6 B1 B4 B2 -100.95(10) . . . . ?
B6 B1 B4 B3 -62.71(12) . . . . ?
B6 B1 B4 B5 37.49(9) . . . . ?
B6 B1 B5 C10 -98.53(11) . . . . ?
B6 B1 B5 B4 -136.93(10) . . . . ?
B6 B1 B5 B10 -37.16(10) . . . . ?
B6 B1 B7 C9 39.25(9) . . . . ?
B6 B1 B7 B2 138.06(10) . . . . ?
B6 B1 B7 B8 100.67(10) . . . . ?
B6 B5 B10 C9 -40.21(10) . . . . ?
B6 B5 B10 C10 -133.72(11) . . . . ?
B6 B5 B10 B9 -100.99(11) . . . . ?
B6 B7 B8 C9 -32.01(9) . . . . ?
B6 B7 B8 B2 103.32(11) . . . . ?
B6 B7 B8 B3 63.60(12) . . . . ?
B6 B7 B8 B9 0.70(13) . . . . ?
B7 C9 B6 B1 39.63(9) . . . . ?
B7 C9 B6 B5 102.02(10) . . . . ?
B7 C9 B6 B10 142.79(11) . . . . ?
B7 C9 B8 B2 -39.55(9) . . . . ?
B7 C9 B8 B3 -102.66(10) . . . . ?
B7 C9 B8 B9 -142.53(10) . . . . ?
B7 C9 B9 C10 -64.20(13) . . . . ?
B7 C9 B9 B3 -3.55(14) . . . . ?
B7 C9 B9 B8 36.87(10) . . . . ?
B7 C9 B9 B10 -106.56(12) . . . . ?
B7 C9 B10 C10 64.79(13) . . . . ?
B7 C9 B10 B5 4.31(14) . . . . ?
B7 C9 B10 B6 -36.33(10) . . . . ?
B7 C9 B10 B9 106.84(11) . . . . ?
B7 B1 B2 N4 -110.33(13) . . . . ?
B7 B1 B2 B3 99.06(10) . . . . ?
B7 B1 B2 B4 136.08(10) . . . . ?
B7 B1 B2 B8 37.06(9) . . . . ?
B7 B1 B4 C10 61.13(12) . . . . ?
B7 B1 B4 B2 -38.61(9) . . . . ?
B7 B1 B4 B3 -0.38(13) . . . . ?
B7 B1 B4 B5 99.82(10) . . . . ?
B7 B1 B5 C10 -61.00(12) . . . . ?
B7 B1 B5 B4 -99.39(10) . . . . ?
B7 B1 B5 B6 37.54(9) . . . . ?
B7 B1 B5 B10 0.38(13) . . . . ?
B7 B1 B6 C9 -39.27(9) . . . . ?
B7 B1 B6 B5 -137.31(10) . . . . ?
B7 B1 B6 B10 -100.32(11) . . . . ?
B7 B2 B3 C10 58.87(12) . . . . ?
B7 B2 B3 B4 97.13(10) . . . . ?
B7 B2 B3 B8 -38.90(9) . . . . ?
B7 B2 B3 B9 -2.31(13) . . . . ?
B7 B2 B4 C10 -62.29(11) . . . . ?
B7 B2 B4 B1 37.31(8) . . . . ?
B7 B2 B4 B3 -100.70(10) . . . . ?
B7 B2 B4 B5 -0.47(12) . . . . ?
B7 B2 B8 C9 38.30(9) . . . . ?
B7 B2 B8 B3 135.87(10) . . . . ?
B7 B2 B8 B9 99.38(11) . . . . ?
B7 B6 B10 C9 32.93(9) . . . . ?
B7 B6 B10 C10 -60.22(13) . . . . ?
B7 B6 B10 B5 -100.10(11) . . . . ?
B7 B6 B10 B9 0.48(14) . . . . ?
B7 B8 B9 C9 -32.71(9) . . . . ?
B7 B8 B9 C10 60.86(12) . . . . ?
B7 B8 B9 B3 101.19(10) . . . . ?
B7 B8 B9 B10 -0.40(13) . . . . ?
B8 C9 B6 B1 3.67(14) . . . . ?
B8 C9 B6 B5 66.05(13) . . . . ?
B8 C9 B6 B7 -35.96(11) . . . . ?
B8 C9 B6 B10 106.83(12) . . . . ?
B8 C9 B7 B1 103.33(10) . . . . ?
B8 C9 B7 B2 38.65(9) . . . . ?
B8 C9 B7 B6 143.77(11) . . . . ?
B8 C9 B9 C10 -101.07(10) . . . . ?
B8 C9 B9 B3 -40.42(9) . . . . ?
B8 C9 B9 B10 -143.43(10) . . . . ?
B8 C9 B10 C10 -6.17(13) . . . . ?
B8 C9 B10 B5 -66.66(13) . . . . ?
B8 C9 B10 B6 -107.30(11) . . . . ?
B8 C9 B10 B9 35.87(10) . . . . ?
B8 B2 B3 C10 97.77(11) . . . . ?
B8 B2 B3 B4 136.03(10) . . . . ?
B8 B2 B3 B9 36.59(10) . . . . ?
B8 B2 B4 C10 0.07(12) . . . . ?
B8 B2 B4 B1 99.66(10) . . . . ?
B8 B2 B4 B3 -38.35(9) . . . . ?
B8 B2 B4 B5 61.89(12) . . . . ?
B8 B2 B7 C9 -38.30(9) . . . . ?
B8 B2 B7 B1 -138.12(10) . . . . ?
B8 B2 B7 B6 -99.61(11) . . . . ?
B8 B3 B4 C10 -96.47(11) . . . . ?
B8 B3 B4 B1 -0.25(13) . . . . ?
B8 B3 B4 B2 38.90(9) . . . . ?
B8 B3 B4 B5 -64.28(12) . . . . ?
B8 B3 B9 C9 40.00(9) . . . . ?
B8 B3 B9 C10 133.20(10) . . . . ?
B8 B3 B9 B10 101.10(11) . . . . ?
B8 B9 B10 C9 -32.74(9) . . . . ?
B8 B9 B10 C10 96.29(11) . . . . ?
B8 B9 B10 B5 63.15(13) . . . . ?
B8 B9 B10 B6 -0.04(14) . . . . ?
B9 C9 B6 B1 -66.66(13) . . . . ?
B9 C9 B6 B5 -4.28(14) . . . . ?
B9 C9 B6 B7 -106.30(11) . . . . ?
B9 C9 B6 B10 36.50(10) . . . . ?
B9 C9 B7 B1 66.78(13) . . . . ?
B9 C9 B7 B2 2.11(14) . . . . ?
B9 C9 B7 B6 107.22(12) . . . . ?
B9 C9 B7 B8 -36.54(11) . . . . ?
B9 C9 B8 B2 102.98(11) . . . . ?
B9 C9 B8 B3 39.87(9) . . . . ?
B9 C9 B8 B7 142.53(10) . . . . ?
B9 C9 B10 C10 -42.05(9) . . . . ?
B9 C9 B10 B5 -102.53(11) . . . . ?
B9 C9 B10 B6 -143.17(10) . . . . ?
B9 C10 B3 B2 -102.86(11) . . . . ?
B9 C10 B3 B4 -141.94(11) . . . . ?
B9 C10 B3 B8 -40.67(9) . . . . ?
B9 C10 B4 B1 -67.40(13) . . . . ?
B9 C10 B4 B2 -2.35(14) . . . . ?
B9 C10 B4 B3 36.96(11) . . . . ?
B9 C10 B4 B5 -106.76(12) . . . . ?
B9 C10 B5 B1 66.91(13) . . . . ?
B9 C10 B5 B4 106.11(11) . . . . ?
B9 C10 B5 B6 3.62(14) . . . . ?
B9 C10 B5 B10 -36.73(11) . . . . ?
B9 C10 B10 C9 42.17(9) . . . . ?
B9 C10 B10 B5 142.68(11) . . . . ?
B9 C10 B10 B6 102.48(11) . . . . ?
B9 B3 B4 C10 -33.32(10) . . . . ?
B9 B3 B4 B1 62.91(12) . . . . ?
B9 B3 B4 B2 102.05(11) . . . . ?
B9 B3 B4 B5 -1.13(13) . . . . ?
B9 B3 B8 C9 -39.10(9) . . . . ?
B9 B3 B8 B2 -139.35(10) . . . . ?
B9 B3 B8 B7 -99.67(11) . . . . ?
B10 C9 B6 B1 -103.16(11) . . . . ?
B10 C9 B6 B5 -40.78(9) . . . . ?
B10 C9 B6 B7 -142.79(11) . . . . ?
B10 C9 B7 B1 -4.14(14) . . . . ?
B10 C9 B7 B2 -68.81(13) . . . . ?
B10 C9 B7 B6 36.30(11) . . . . ?
B10 C9 B7 B8 -107.46(12) . . . . ?
B10 C9 B8 B2 66.75(13) . . . . ?
B10 C9 B8 B3 3.64(13) . . . . ?
B10 C9 B8 B7 106.30(11) . . . . ?
B10 C9 B8 B9 -36.24(10) . . . . ?
B10 C9 B9 C10 42.35(9) . . . . ?
B10 C9 B9 B3 103.00(11) . . . . ?
B10 C9 B9 B8 143.43(10) . . . . ?
B10 C10 B3 B2 -67.06(12) . . . . ?
B10 C10 B3 B4 -106.13(11) . . . . ?
B10 C10 B3 B8 -4.86(13) . . . . ?
B10 C10 B3 B9 35.80(10) . . . . ?
B10 C10 B4 B1 3.25(14) . . . . ?
B10 C10 B4 B2 68.30(13) . . . . ?
B10 C10 B4 B3 107.61(12) . . . . ?
B10 C10 B4 B5 -36.11(11) . . . . ?
B10 C10 B5 B1 103.64(11) . . . . ?
B10 C10 B5 B4 142.84(11) . . . . ?
B10 C10 B5 B6 40.35(10) . . . . ?
B10 C10 B9 C9 -42.18(9) . . . . ?
B10 C10 B9 B3 -143.88(10) . . . . ?
B10 C10 B9 B8 -103.02(11) . . . . ?
B10 B5 B6 C9 39.91(9) . . . . ?
B10 B5 B6 B1 138.88(10) . . . . ?
B10 B5 B6 B7 101.12(11) . . . . ?
B10 B6 B7 C9 -32.77(10) . . . . ?
B10 B6 B7 B1 101.48(11) . . . . ?
B10 B6 B7 B2 62.38(12) . . . . ?
B10 B6 B7 B8 -0.73(13) . . . . ?
