#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:23:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180137 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/34/7103477.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_7103477
loop_
_publ_author_name
'Hutton, Brian W'
'MacIntosh, Fraser'
'Ellis, David'
'Herisse, Fabien'
'Macgregor, Stuart A'
'McKay, David'
'Petrie-Armstrong, Victoria'
'Rosair, Georgina M'
'Perekalin, Dmitry S'
'Tricas, Hugo'
'Welch, Alan J'
_publ_section_title
;
 Unprecedented steric deformation of ortho-carborane.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5345
_journal_page_last               5347
_journal_paper_doi               10.1039/b810702e
_journal_year                    2008
_chemical_formula_sum            'C24 H40 B10'
_chemical_formula_weight         436.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.315(4)
_cell_length_b                   8.1515(16)
_cell_length_c                   15.649(3)
_cell_measurement_reflns_used    8386
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.69
_cell_volume                     2520.6(9)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker X8 APEX2'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13998
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.12
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.058
_exptl_absorpt_correction_T_max  0.9954
_exptl_absorpt_correction_T_min  0.9538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.82
_exptl_crystal_size_mid          0.75
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         2424
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0894P)²+2.4764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                2204
_reflns_number_total             2424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810702e.txt
_cod_data_source_block           x82233_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7103477
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.34030(19) 0.8453(4) 0.4018(3) 0.0157(7) Uani 1 1 d . . .
B2 B 0.3101(2) 0.6594(5) 0.4250(3) 0.0169(8) Uani 1 1 d . . .
H2 H 0.3261 0.6025 0.4951 0.020 Uiso 1 1 calc R . .
B3 B 0.2589(2) 0.8375(5) 0.3950(3) 0.0159(8) Uani 1 1 d . . .
H3 H 0.2418 0.9004 0.4460 0.019 Uiso 1 1 calc R . .
B4 B 0.2787(2) 0.9512(5) 0.3122(3) 0.0174(8) Uani 1 1 d . . .
H4 H 0.2747 1.0882 0.3074 0.021 Uiso 1 1 calc R . .
B5 B 0.3442(2) 0.8432(5) 0.2929(3) 0.0199(9) Uani 1 1 d . . .
H5 H 0.3840 0.9097 0.2759 0.024 Uiso 1 1 calc R . .
B6 B 0.3643(2) 0.6661(5) 0.3630(3) 0.0200(9) Uani 1 1 d . . .
H6 H 0.4171 0.6162 0.3926 0.024 Uiso 1 1 calc R . .
C7 C 0.22904(18) 0.6494(4) 0.3455(2) 0.0153(7) Uani 1 1 d . . .
B8 B 0.2060(2) 0.8222(5) 0.2772(3) 0.0172(8) Uani 1 1 d . . .
H8 H 0.1533 0.8725 0.2497 0.021 Uiso 1 1 calc R . .
B9 B 0.2597(2) 0.8270(5) 0.2130(3) 0.0201(9) Uani 1 1 d . . .
H9 H 0.2428 0.8822 0.1424 0.024 Uiso 1 1 calc R . .
B10 B 0.3125(2) 0.6505(6) 0.2428(3) 0.0224(9) Uani 1 1 d . . .
H10 H 0.3305 0.5892 0.1921 0.027 Uiso 1 1 calc R . .
B11 B 0.2919(2) 0.5375(5) 0.3254(3) 0.0193(8) Uani 1 1 d . . .
H11 H 0.2960 0.4005 0.3292 0.023 Uiso 1 1 calc R . .
B12 B 0.2272(2) 0.6374(5) 0.2341(3) 0.0182(8) Uani 1 1 d . . .
H12 H 0.1882 0.5660 0.1778 0.022 Uiso 1 1 calc R . .
C11 C 0.39290(18) 0.9423(5) 0.4845(2) 0.0175(8) Uani 1 1 d . . .
C12 C 0.3645(2) 1.1122(5) 0.4946(3) 0.0217(8) Uani 1 1 d . . .
H12A H 0.3512 1.1710 0.4350 0.026 Uiso 1 1 calc R . .
H12B H 0.3233 1.0968 0.5085 0.026 Uiso 1 1 calc R . .
C13 C 0.4144(2) 1.2176(5) 0.5696(3) 0.0270(9) Uani 1 1 d . . .
H13A H 0.4245 1.1649 0.6303 0.032 Uiso 1 1 calc R . .
H13B H 0.3939 1.3262 0.5707 0.032 Uiso 1 1 calc R . .
C14 C 0.4804(2) 1.2404(5) 0.5529(3) 0.0288(9) Uani 1 1 d . . .
H14A H 0.4713 1.3061 0.4964 0.035 Uiso 1 1 calc R . .
H14B H 0.5135 1.3008 0.6054 0.035 Uiso 1 1 calc R . .
C15 C 0.5099(2) 1.0745(5) 0.5426(3) 0.0242(9) Uani 1 1 d . . .
H15A H 0.5509 1.0915 0.5281 0.029 Uiso 1 1 calc R . .
H15B H 0.5234 1.0132 0.6013 0.029 Uiso 1 1 calc R . .
C16 C 0.45812(19) 0.9751(5) 0.4659(3) 0.0209(8) Uani 1 1 d . . .
H16A H 0.4785 0.8689 0.4595 0.025 Uiso 1 1 calc R . .
H16B H 0.4463 1.0351 0.4069 0.025 Uiso 1 1 calc R . .
C111 C 0.40934(19) 0.8419(5) 0.5720(3) 0.0189(8) Uani 1 1 d . . .
C112 C 0.3780(2) 0.8550(6) 0.6343(3) 0.0293(10) Uani 1 1 d . . .
H112 H 0.3433 0.9310 0.6306 0.035 Uiso 1 1 calc R . .
C113 C 0.4067(3) 0.7334(6) 0.7069(3) 0.0409(13) Uani 1 1 d . . .
H11A H 0.4274 0.7875 0.7678 0.049 Uiso 1 1 calc R . .
H11B H 0.3712 0.6568 0.7089 0.049 Uiso 1 1 calc R . .
C114 C 0.4570(3) 0.6477(6) 0.6841(3) 0.0410(13) Uani 1 1 d . . .
H114 H 0.4846 0.5607 0.7188 0.049 Uiso 1 1 calc R . .
C115 C 0.4589(2) 0.7131(5) 0.6021(3) 0.0265(9) Uani 1 1 d . . .
H115 H 0.4878 0.6784 0.5719 0.032 Uiso 1 1 calc R . .
C71 C 0.17519(18) 0.5589(5) 0.3755(2) 0.0170(7) Uani 1 1 d . . .
C72 C 0.2009(2) 0.3861(5) 0.4134(3) 0.0248(9) Uani 1 1 d . . .
H72A H 0.2123 0.3249 0.3665 0.030 Uiso 1 1 calc R . .
H72B H 0.2428 0.3973 0.4689 0.030 Uiso 1 1 calc R . .
C73 C 0.1492(2) 0.2885(5) 0.4380(3) 0.0303(10) Uani 1 1 d . . .
H73A H 0.1402 0.3451 0.4882 0.036 Uiso 1 1 calc R . .
H73B H 0.1678 0.1786 0.4606 0.036 Uiso 1 1 calc R . .
C74 C 0.0830(2) 0.2697(6) 0.3545(3) 0.0326(10) Uani 1 1 d . . .
H74A H 0.0909 0.2034 0.3065 0.039 Uiso 1 1 calc R . .
H74B H 0.0491 0.2122 0.3729 0.039 Uiso 1 1 calc R . .
C75 C 0.0563(2) 0.4380(6) 0.3160(3) 0.0285(9) Uani 1 1 d . . .
H75A H 0.0449 0.5007 0.3625 0.034 Uiso 1 1 calc R . .
H75B H 0.0145 0.4254 0.2605 0.034 Uiso 1 1 calc R . .
C76 C 0.10882(18) 0.5317(5) 0.2913(3) 0.0224(8) Uani 1 1 d . . .
H76A H 0.0899 0.6395 0.2649 0.027 Uiso 1 1 calc R . .
H76B H 0.1190 0.4700 0.2435 0.027 Uiso 1 1 calc R . .
C711 C 0.16239(19) 0.6641(5) 0.4476(3) 0.0191(8) Uani 1 1 d . . .
C712 C 0.1156(2) 0.7977(5) 0.4293(3) 0.0264(9) Uani 1 1 d . . .
H712 H 0.0849 0.8315 0.3704 0.032 Uiso 1 1 calc R . .
C713 C 0.1232(3) 0.8700(5) 0.5140(4) 0.0342(11) Uani 1 1 d . . .
H713 H 0.0992 0.9633 0.5218 0.041 Uiso 1 1 calc R . .
C714 C 0.1729(3) 0.7809(6) 0.5866(3) 0.0361(11) Uani 1 1 d . . .
H71A H 0.1529 0.7337 0.6289 0.043 Uiso 1 1 calc R . .
H71B H 0.2110 0.8533 0.6224 0.043 Uiso 1 1 calc R . .
C715 C 0.1960(2) 0.6508(5) 0.5410(3) 0.0269(9) Uani 1 1 d . . .
H715 H 0.2290 0.5701 0.5713 0.032 Uiso 1 1 calc R . .
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 0.0000 '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 0.0000 '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
C11 C1 B3 117.8(3) . . ?
C11 C1 B6 120.0(3) . . ?
B3 C1 B6 112.1(3) . . ?
C11 C1 B5 122.1(3) . . ?
B3 C1 B5 111.2(3) . . ?
B6 C1 B5 61.3(2) . . ?
C11 C1 B2 118.2(3) . . ?
B3 C1 B2 62.0(2) . . ?
B6 C1 B2 61.2(2) . . ?
B5 C1 B2 110.7(3) . . ?
C11 C1 B4 120.1(3) . . ?
B3 C1 B4 61.7(2) . . ?
B6 C1 B4 111.6(3) . . ?
B5 C1 B4 61.0(2) . . ?
B2 C1 B4 111.9(3) . . ?
C7 B2 C1 104.0(3) . . ?
C7 B2 B11 60.2(2) . . ?
C1 B2 B11 106.4(3) . . ?
C7 B2 B6 107.0(3) . . ?
C1 B2 B6 59.2(2) . . ?
B11 B2 B6 60.3(2) . . ?
C7 B2 B3 59.5(2) . . ?
C1 B2 B3 57.9(2) . . ?
B11 B2 B3 108.5(3) . . ?
B6 B2 B3 107.1(3) . . ?
C7 B2 H2 123.1 . . ?
C1 B2 H2 124.4 . . ?
B11 B2 H2 121.2 . . ?
B6 B2 H2 121.9 . . ?
B3 B2 H2 122.1 . . ?
C1 B3 C7 104.9(3) . . ?
C1 B3 B4 60.5(2) . . ?
C7 B3 B4 106.6(3) . . ?
C1 B3 B8 107.8(3) . . ?
C7 B3 B8 59.1(2) . . ?
B4 B3 B8 60.5(2) . . ?
C1 B3 B2 60.1(2) . . ?
C7 B3 B2 58.5(2) . . ?
B4 B3 B2 109.4(3) . . ?
B8 B3 B2 107.9(3) . . ?
C1 B3 H3 122.5 . . ?
C7 B3 H3 124.2 . . ?
B4 B3 H3 121.0 . . ?
B8 B3 H3 121.7 . . ?
B2 B3 H3 121.3 . . ?
C1 B4 B3 57.8(2) . . ?
C1 B4 B9 106.1(3) . . ?
B3 B4 B9 107.7(3) . . ?
C1 B4 B5 59.2(2) . . ?
B3 B4 B5 106.5(3) . . ?
B9 B4 B5 60.1(3) . . ?
C1 B4 B8 105.1(3) . . ?
B3 B4 B8 59.8(2) . . ?
B9 B4 B8 60.3(2) . . ?
B5 B4 B8 107.7(3) . . ?
C1 B4 H4 124.1 . . ?
B3 B4 H4 122.6 . . ?
B9 B4 H4 121.7 . . ?
B5 B4 H4 122.0 . . ?
B8 B4 H4 122.2 . . ?
C1 B5 B6 59.2(2) . . ?
C1 B5 B4 59.8(2) . . ?
B6 B5 B4 108.9(3) . . ?
C1 B5 B9 106.5(3) . . ?
B6 B5 B9 108.9(3) . . ?
B4 B5 B9 59.9(2) . . ?
C1 B5 B10 107.0(3) . . ?
B6 B5 B10 60.9(3) . . ?
B4 B5 B10 108.8(3) . . ?
B9 B5 B10 60.3(3) . . ?
C1 B5 H5 123.2 . . ?
B6 B5 H5 120.9 . . ?
B4 B5 H5 121.1 . . ?
B9 B5 H5 121.9 . . ?
B10 B5 H5 121.3 . . ?
C1 B6 B5 59.5(2) . . ?
C1 B6 B2 59.6(2) . . ?
B5 B6 B2 108.0(3) . . ?
C1 B6 B11 106.2(3) . . ?
B5 B6 B11 107.3(3) . . ?
B2 B6 B11 59.8(2) . . ?
C1 B6 B10 106.3(3) . . ?
B5 B6 B10 59.7(3) . . ?
B2 B6 B10 107.5(3) . . ?
B11 B6 B10 59.5(2) . . ?
C1 B6 H6 123.0 . . ?
B5 B6 H6 121.8 . . ?
B2 B6 H6 121.6 . . ?
B11 B6 H6 122.5 . . ?
B10 B6 H6 122.4 . . ?
C71 C7 B2 117.0(3) . . ?
C71 C7 B8 119.8(3) . . ?
B2 C7 B8 112.8(3) . . ?
C71 C7 B3 117.9(3) . . ?
B2 C7 B3 61.9(2) . . ?
B8 C7 B3 61.6(2) . . ?
C71 C7 B12 122.0(3) . . ?
B2 C7 B12 111.8(3) . . ?
B8 C7 B12 61.9(2) . . ?
B3 C7 B12 111.5(3) . . ?
C71 C7 B11 120.2(3) . . ?
B2 C7 B11 61.4(2) . . ?
B8 C7 B11 112.0(3) . . ?
B3 C7 B11 111.5(3) . . ?
B12 C7 B11 61.2(2) . . ?
C7 B8 B3 59.3(2) . . ?
C7 B8 B12 59.3(2) . . ?
B3 B8 B12 107.6(3) . . ?
C7 B8 B4 106.2(3) . . ?
B3 B8 B4 59.7(2) . . ?
B12 B8 B4 107.6(3) . . ?
C7 B8 B9 105.9(3) . . ?
B3 B8 B9 107.0(3) . . ?
B12 B8 B9 59.8(2) . . ?
B4 B8 B9 59.5(2) . . ?
C7 B8 H8 123.3 . . ?
B3 B8 H8 122.0 . . ?
B12 B8 H8 121.7 . . ?
B4 B8 H8 122.3 . . ?
B9 B8 H8 122.6 . . ?
B4 B9 B5 60.0(2) . . ?
B4 B9 B12 108.2(3) . . ?
B5 B9 B12 107.4(3) . . ?
B4 B9 B10 108.6(3) . . ?
B5 B9 B10 59.9(3) . . ?
B12 B9 B10 60.0(2) . . ?
B4 B9 B8 60.2(2) . . ?
B5 B9 B8 107.6(3) . . ?
B12 B9 B8 59.9(2) . . ?
B10 B9 B8 108.2(3) . . ?
B4 B9 H9 121.3 . . ?
B5 B9 H9 122.2 . . ?
B12 B9 H9 121.9 . . ?
B10 B9 H9 121.4 . . ?
B8 B9 H9 121.8 . . ?
B5 B10 B11 107.2(3) . . ?
B5 B10 B12 107.2(3) . . ?
B11 B10 B12 59.8(2) . . ?
B5 B10 B9 59.8(3) . . ?
B11 B10 B9 107.8(3) . . ?
B12 B10 B9 59.9(2) . . ?
B5 B10 B6 59.4(2) . . ?
B11 B10 B6 59.7(2) . . ?
B12 B10 B6 107.1(3) . . ?
B9 B10 B6 107.3(3) . . ?
B5 B10 H10 122.3 . . ?
B11 B10 H10 122.0 . . ?
B12 B10 H10 122.1 . . ?
B9 B10 H10 121.8 . . ?
B6 B10 H10 122.3 . . ?
C7 B11 B2 58.4(2) . . ?
C7 B11 B12 59.1(2) . . ?
B2 B11 B12 107.5(3) . . ?
C7 B11 B10 106.1(3) . . ?
B2 B11 B10 108.6(3) . . ?
B12 B11 B10 60.2(2) . . ?
C7 B11 B6 105.3(3) . . ?
B2 B11 B6 59.9(2) . . ?
B12 B11 B6 108.3(3) . . ?
B10 B11 B6 60.8(3) . . ?
C7 B11 H11 124.2 . . ?
B2 B11 H11 121.8 . . ?
B12 B11 H11 121.6 . . ?
B10 B11 H11 121.4 . . ?
B6 B11 H11 122.0 . . ?
C7 B12 B11 59.8(2) . . ?
C7 B12 B9 105.9(3) . . ?
B11 B12 B9 108.1(3) . . ?
C7 B12 B8 58.9(2) . . ?
B11 B12 B8 108.4(3) . . ?
B9 B12 B8 60.3(2) . . ?
C7 B12 B10 106.5(3) . . ?
B11 B12 B10 60.0(3) . . ?
B9 B12 B10 60.1(3) . . ?
B8 B12 B10 108.5(3) . . ?
C7 B12 H12 123.5 . . ?
B11 B12 H12 121.3 . . ?
B9 B12 H12 122.1 . . ?
B8 B12 H12 121.3 . . ?
B10 B12 H12 121.8 . . ?
C111 C11 C12 111.0(3) . . ?
C111 C11 C16 110.1(3) . . ?
C12 C11 C16 106.2(3) . . ?
C111 C11 C1 108.9(3) . . ?
C12 C11 C1 110.5(3) . . ?
C16 C11 C1 110.2(3) . . ?
C13 C12 C11 113.5(3) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 C14 111.0(3) . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C13 110.6(3) . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 C14 110.4(3) . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
C14 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C11 112.4(3) . . ?
C15 C16 H16A 109.1 . . ?
C11 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
C11 C16 H16B 109.1 . . ?
H16A C16 H16B 107.9 . . ?
C112 C111 C115 108.4(4) . . ?
C112 C111 C11 126.0(4) . . ?
C115 C111 C11 125.6(4) . . ?
C111 C112 C113 109.1(4) . . ?
C111 C112 H112 125.5 . . ?
C113 C112 H112 125.5 . . ?
C114 C113 C112 105.7(4) . . ?
C114 C113 H11A 110.6 . . ?
C112 C113 H11A 110.6 . . ?
C114 C113 H11B 110.6 . . ?
C112 C113 H11B 110.6 . . ?
H11A C113 H11B 108.7 . . ?
C115 C114 C113 108.9(4) . . ?
C115 C114 H114 125.6 . . ?
C113 C114 H114 125.6 . . ?
C114 C115 C111 107.9(4) . . ?
C114 C115 H115 126.0 . . ?
C111 C115 H115 126.0 . . ?
C711 C71 C76 110.6(3) . . ?
C711 C71 C72 111.4(3) . . ?
C76 C71 C72 106.0(3) . . ?
C711 C71 C7 108.1(3) . . ?
C76 C71 C7 110.4(3) . . ?
C72 C71 C7 110.3(3) . . ?
C73 C72 C71 112.8(3) . . ?
C73 C72 H72A 109.0 . . ?
C71 C72 H72A 109.0 . . ?
C73 C72 H72B 109.0 . . ?
C71 C72 H72B 109.0 . . ?
H72A C72 H72B 107.8 . . ?
C72 C73 C74 111.1(4) . . ?
C72 C73 H73A 109.4 . . ?
C74 C73 H73A 109.4 . . ?
C72 C73 H73B 109.4 . . ?
C74 C73 H73B 109.4 . . ?
H73A C73 H73B 108.0 . . ?
C75 C74 C73 109.6(3) . . ?
C75 C74 H74A 109.7 . . ?
C73 C74 H74A 109.7 . . ?
C75 C74 H74B 109.7 . . ?
C73 C74 H74B 109.7 . . ?
H74A C74 H74B 108.2 . . ?
C74 C75 C76 110.6(4) . . ?
C74 C75 H75A 109.5 . . ?
C76 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
C76 C75 H75B 109.5 . . ?
H75A C75 H75B 108.1 . . ?
C75 C76 C71 112.4(3) . . ?
C75 C76 H76A 109.1 . . ?
C71 C76 H76A 109.1 . . ?
C75 C76 H76B 109.1 . . ?
C71 C76 H76B 109.1 . . ?
H76A C76 H76B 107.9 . . ?
C715 C711 C712 108.6(4) . . ?
C715 C711 C71 125.4(4) . . ?
C712 C711 C71 125.9(3) . . ?
C713 C712 C711 107.8(4) . . ?
C713 C712 H712 126.1 . . ?
C711 C712 H712 126.1 . . ?
C712 C713 C714 109.1(4) . . ?
C712 C713 H713 125.5 . . ?
C714 C713 H713 125.5 . . ?
C713 C714 C715 105.4(4) . . ?
C713 C714 H71A 110.7 . . ?
C715 C714 H71A 110.7 . . ?
C713 C714 H71B 110.7 . . ?
C715 C714 H71B 110.7 . . ?
H71A C714 H71B 108.8 . . ?
C711 C715 C714 109.1(4) . . ?
C711 C715 H715 125.5 . . ?
C714 C715 H715 125.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C11 1.571(5) . ?
C1 B3 1.698(5) . ?
C1 B6 1.731(6) . ?
C1 B5 1.737(6) . ?
C1 B2 1.737(6) . ?
C1 B4 1.748(5) . ?
B2 C7 1.711(5) . ?
B2 B11 1.764(6) . ?
B2 B6 1.767(6) . ?
B2 B3 1.770(6) . ?
B2 H2 1.1200 . ?
B3 C7 1.728(5) . ?
B3 B4 1.767(6) . ?
B3 B8 1.769(6) . ?
B3 H3 1.1200 . ?
B4 B9 1.767(6) . ?
B4 B5 1.769(6) . ?
B4 B8 1.780(6) . ?
B4 H4 1.1200 . ?
B5 B6 1.767(6) . ?
B5 B9 1.770(6) . ?
B5 B10 1.772(6) . ?
B5 H5 1.1200 . ?
B6 B11 1.775(6) . ?
B6 B10 1.794(6) . ?
B6 H6 1.1200 . ?
C7 C71 1.577(5) . ?
C7 B8 1.724(5) . ?
C7 B12 1.731(5) . ?
C7 B11 1.743(6) . ?
B8 B12 1.776(6) . ?
B8 B9 1.783(6) . ?
B8 H8 1.1200 . ?
B9 B12 1.775(6) . ?
B9 B10 1.778(7) . ?
B9 H9 1.1200 . ?
B10 B11 1.772(6) . ?
B10 B12 1.777(6) . ?
B10 H10 1.1200 . ?
B11 B12 1.768(6) . ?
B11 H11 1.1200 . ?
B12 H12 1.1200 . ?
C11 C111 1.519(5) . ?
C11 C12 1.543(5) . ?
C11 C16 1.547(5) . ?
C12 C13 1.520(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.533(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.526(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.524(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C111 C112 1.378(6) . ?
C111 C115 1.438(6) . ?
C112 C113 1.458(7) . ?
C112 H112 0.9500 . ?
C113 C114 1.433(8) . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C115 1.405(7) . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C71 C711 1.521(5) . ?
C71 C76 1.546(5) . ?
C71 C72 1.547(5) . ?
C72 C73 1.522(6) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.531(6) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.520(7) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.521(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C711 C715 1.370(6) . ?
C711 C712 1.431(6) . ?
C712 C713 1.403(6) . ?
C712 H712 0.9500 . ?
C713 C714 1.428(7) . ?
C713 H713 0.9500 . ?
C714 C715 1.462(7) . ?
C714 H71A 0.9900 . ?
C714 H71B 0.9900 . ?
C715 H715 0.9500 . ?
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
C11 C1 B2 C7 147.7(3) . . . . ?
B3 C1 B2 C7 39.3(3) . . . . ?
B6 C1 B2 C7 -101.7(3) . . . . ?
B5 C1 B2 C7 -64.3(3) . . . . ?
B4 C1 B2 C7 1.7(4) . . . . ?
C11 C1 B2 B11 -149.7(3) . . . . ?
B3 C1 B2 B11 101.9(3) . . . . ?
B6 C1 B2 B11 -39.1(3) . . . . ?
B5 C1 B2 B11 -1.7(4) . . . . ?
B4 C1 B2 B11 64.3(3) . . . . ?
C11 C1 B2 B6 -110.6(3) . . . . ?
B3 C1 B2 B6 141.0(3) . . . . ?
B5 C1 B2 B6 37.4(3) . . . . ?
B4 C1 B2 B6 103.4(3) . . . . ?
C11 C1 B2 B3 108.3(3) . . . . ?
B6 C1 B2 B3 -141.0(3) . . . . ?
B5 C1 B2 B3 -103.7(3) . . . . ?
B4 C1 B2 B3 -37.6(3) . . . . ?
C11 C1 B3 C7 -148.0(3) . . . . ?
B6 C1 B3 C7 -2.5(4) . . . . ?
B5 C1 B3 C7 63.9(3) . . . . ?
B2 C1 B3 C7 -39.1(3) . . . . ?
B4 C1 B3 C7 100.9(3) . . . . ?
C11 C1 B3 B4 111.1(3) . . . . ?
B6 C1 B3 B4 -103.4(3) . . . . ?
B5 C1 B3 B4 -37.0(3) . . . . ?
B2 C1 B3 B4 -139.9(3) . . . . ?
C11 C1 B3 B8 150.2(3) . . . . ?
B6 C1 B3 B8 -64.3(4) . . . . ?
B5 C1 B3 B8 2.1(4) . . . . ?
B2 C1 B3 B8 -100.8(3) . . . . ?
B4 C1 B3 B8 39.1(3) . . . . ?
C11 C1 B3 B2 -108.9(4) . . . . ?
B6 C1 B3 B2 36.5(3) . . . . ?
B5 C1 B3 B2 103.0(3) . . . . ?
B4 C1 B3 B2 139.9(3) . . . . ?
C7 B2 B3 C1 -134.5(3) . . . . ?
B11 B2 B3 C1 -98.1(3) . . . . ?
B6 B2 B3 C1 -34.4(3) . . . . ?
C1 B2 B3 C7 134.5(3) . . . . ?
B11 B2 B3 C7 36.3(3) . . . . ?
B6 B2 B3 C7 100.0(3) . . . . ?
C7 B2 B3 B4 -98.0(3) . . . . ?
C1 B2 B3 B4 36.4(3) . . . . ?
B11 B2 B3 B4 -61.7(4) . . . . ?
B6 B2 B3 B4 2.0(4) . . . . ?
C7 B2 B3 B8 -33.8(3) . . . . ?
C1 B2 B3 B8 100.6(3) . . . . ?
B11 B2 B3 B8 2.5(4) . . . . ?
B6 B2 B3 B8 66.2(4) . . . . ?
C11 C1 B4 B3 -107.5(3) . . . . ?
B6 C1 B4 B3 104.2(3) . . . . ?
B5 C1 B4 B3 140.1(3) . . . . ?
B2 C1 B4 B3 37.7(3) . . . . ?
C11 C1 B4 B9 151.4(3) . . . . ?
B3 C1 B4 B9 -101.1(3) . . . . ?
B6 C1 B4 B9 3.2(4) . . . . ?
B5 C1 B4 B9 39.0(3) . . . . ?
B2 C1 B4 B9 -63.3(3) . . . . ?
C11 C1 B4 B5 112.4(4) . . . . ?
B3 C1 B4 B5 -140.1(3) . . . . ?
B6 C1 B4 B5 -35.9(3) . . . . ?
B2 C1 B4 B5 -102.4(3) . . . . ?
C11 C1 B4 B8 -145.7(3) . . . . ?
B3 C1 B4 B8 -38.2(3) . . . . ?
B6 C1 B4 B8 66.0(4) . . . . ?
B5 C1 B4 B8 101.9(3) . . . . ?
B2 C1 B4 B8 -0.5(4) . . . . ?
C7 B3 B4 C1 -98.1(3) . . . . ?
B8 B3 B4 C1 -136.3(3) . . . . ?
B2 B3 B4 C1 -36.3(3) . . . . ?
C1 B3 B4 B9 98.2(3) . . . . ?
C7 B3 B4 B9 0.1(4) . . . . ?
B8 B3 B4 B9 -38.1(3) . . . . ?
B2 B3 B4 B9 61.9(4) . . . . ?
C1 B3 B4 B5 35.1(3) . . . . ?
C7 B3 B4 B5 -63.0(3) . . . . ?
B8 B3 B4 B5 -101.2(3) . . . . ?
B2 B3 B4 B5 -1.2(4) . . . . ?
C1 B3 B4 B8 136.3(3) . . . . ?
C7 B3 B4 B8 38.2(3) . . . . ?
B2 B3 B4 B8 100.0(3) . . . . ?
C11 C1 B5 B6 109.2(4) . . . . ?
B3 C1 B5 B6 -104.3(3) . . . . ?
B2 C1 B5 B6 -37.4(3) . . . . ?
B4 C1 B5 B6 -141.6(3) . . . . ?
C11 C1 B5 B4 -109.2(3) . . . . ?
B3 C1 B5 B4 37.3(3) . . . . ?
B6 C1 B5 B4 141.6(3) . . . . ?
B2 C1 B5 B4 104.2(3) . . . . ?
C11 C1 B5 B9 -148.3(3) . . . . ?
B3 C1 B5 B9 -1.8(4) . . . . ?
B6 C1 B5 B9 102.5(3) . . . . ?
B2 C1 B5 B9 65.2(4) . . . . ?
B4 C1 B5 B9 -39.0(3) . . . . ?
C11 C1 B5 B10 148.5(3) . . . . ?
B3 C1 B5 B10 -65.0(4) . . . . ?
B6 C1 B5 B10 39.3(3) . . . . ?
B2 C1 B5 B10 1.9(4) . . . . ?
B4 C1 B5 B10 -102.3(3) . . . . ?
B3 B4 B5 C1 -34.5(3) . . . . ?
B9 B4 B5 C1 -135.7(3) . . . . ?
B8 B4 B5 C1 -97.3(3) . . . . ?
C1 B4 B5 B6 34.4(3) . . . . ?
B3 B4 B5 B6 -0.1(4) . . . . ?
B9 B4 B5 B6 -101.4(3) . . . . ?
B8 B4 B5 B6 -63.0(4) . . . . ?
C1 B4 B5 B9 135.7(3) . . . . ?
B3 B4 B5 B9 101.3(3) . . . . ?
B8 B4 B5 B9 38.4(3) . . . . ?
C1 B4 B5 B10 99.2(3) . . . . ?
B3 B4 B5 B10 64.7(4) . . . . ?
B9 B4 B5 B10 -36.6(3) . . . . ?
B8 B4 B5 B10 1.8(4) . . . . ?
C11 C1 B6 B5 -112.5(4) . . . . ?
B3 C1 B6 B5 102.8(3) . . . . ?
B2 C1 B6 B5 139.6(3) . . . . ?
B4 C1 B6 B5 35.8(3) . . . . ?
C11 C1 B6 B2 107.8(4) . . . . ?
B3 C1 B6 B2 -36.8(3) . . . . ?
B5 C1 B6 B2 -139.6(3) . . . . ?
B4 C1 B6 B2 -103.9(3) . . . . ?
C11 C1 B6 B11 146.6(3) . . . . ?
B3 C1 B6 B11 2.0(4) . . . . ?
B5 C1 B6 B11 -100.9(3) . . . . ?
B2 C1 B6 B11 38.8(3) . . . . ?
B4 C1 B6 B11 -65.1(4) . . . . ?
C11 C1 B6 B10 -151.1(3) . . . . ?
B3 C1 B6 B10 64.3(4) . . . . ?
B5 C1 B6 B10 -38.6(3) . . . . ?
B2 C1 B6 B10 101.1(3) . . . . ?
B4 C1 B6 B10 -2.8(4) . . . . ?
B4 B5 B6 C1 -34.6(3) . . . . ?
B9 B5 B6 C1 -98.3(3) . . . . ?
B10 B5 B6 C1 -136.1(3) . . . . ?
C1 B5 B6 B2 36.0(3) . . . . ?
B4 B5 B6 B2 1.4(4) . . . . ?
B9 B5 B6 B2 -62.4(4) . . . . ?
B10 B5 B6 B2 -100.2(3) . . . . ?
C1 B5 B6 B11 99.0(3) . . . . ?
B4 B5 B6 B11 64.4(4) . . . . ?
B9 B5 B6 B11 0.7(4) . . . . ?
B10 B5 B6 B11 -37.1(3) . . . . ?
C1 B5 B6 B10 136.1(3) . . . . ?
B4 B5 B6 B10 101.5(3) . . . . ?
B9 B5 B6 B10 37.8(3) . . . . ?
C7 B2 B6 C1 96.4(3) . . . . ?
B11 B2 B6 C1 135.9(3) . . . . ?
B3 B2 B6 C1 33.9(3) . . . . ?
C7 B2 B6 B5 60.5(4) . . . . ?
C1 B2 B6 B5 -35.9(3) . . . . ?
B11 B2 B6 B5 99.9(3) . . . . ?
B3 B2 B6 B5 -2.1(4) . . . . ?
C7 B2 B6 B11 -39.4(3) . . . . ?
C1 B2 B6 B11 -135.9(3) . . . . ?
B3 B2 B6 B11 -102.0(3) . . . . ?
C7 B2 B6 B10 -2.5(4) . . . . ?
C1 B2 B6 B10 -98.9(3) . . . . ?
B11 B2 B6 B10 36.9(3) . . . . ?
B3 B2 B6 B10 -65.1(4) . . . . ?
C1 B2 C7 C71 -147.4(3) . . . . ?
B11 B2 C7 C71 111.4(3) . . . . ?
B6 B2 C7 C71 150.9(3) . . . . ?
B3 B2 C7 C71 -108.9(3) . . . . ?
C1 B2 C7 B8 -2.4(4) . . . . ?
B11 B2 C7 B8 -103.5(3) . . . . ?
B6 B2 C7 B8 -64.0(4) . . . . ?
B3 B2 C7 B8 36.1(3) . . . . ?
C1 B2 C7 B3 -38.6(3) . . . . ?
B11 B2 C7 B3 -139.7(3) . . . . ?
B6 B2 C7 B3 -100.2(3) . . . . ?
C1 B2 C7 B12 65.0(4) . . . . ?
B11 B2 C7 B12 -36.1(3) . . . . ?
B6 B2 C7 B12 3.4(4) . . . . ?
B3 B2 C7 B12 103.6(3) . . . . ?
C1 B2 C7 B11 101.1(3) . . . . ?
B6 B2 C7 B11 39.5(3) . . . . ?
B3 B2 C7 B11 139.7(3) . . . . ?
C1 B3 C7 C71 147.3(3) . . . . ?
B4 B3 C7 C71 -149.6(3) . . . . ?
B8 B3 C7 C71 -110.7(3) . . . . ?
B2 B3 C7 C71 107.5(3) . . . . ?
C1 B3 C7 B2 39.8(3) . . . . ?
B4 B3 C7 B2 103.0(3) . . . . ?
B8 B3 C7 B2 141.8(3) . . . . ?
C1 B3 C7 B8 -102.0(3) . . . . ?
B4 B3 C7 B8 -38.9(3) . . . . ?
B2 B3 C7 B8 -141.8(3) . . . . ?
C1 B3 C7 B12 -64.2(3) . . . . ?
B4 B3 C7 B12 -1.0(4) . . . . ?
B8 B3 C7 B12 37.9(3) . . . . ?
B2 B3 C7 B12 -104.0(3) . . . . ?
C1 B3 C7 B11 2.2(4) . . . . ?
B4 B3 C7 B11 65.3(4) . . . . ?
B8 B3 C7 B11 104.2(3) . . . . ?
B2 B3 C7 B11 -37.6(3) . . . . ?
C71 C7 B8 B3 107.7(3) . . . . ?
B2 C7 B8 B3 -36.3(3) . . . . ?
B12 C7 B8 B3 -139.6(3) . . . . ?
B11 C7 B8 B3 -103.3(3) . . . . ?
C71 C7 B8 B12 -112.7(4) . . . . ?
B2 C7 B8 B12 103.4(3) . . . . ?
B3 C7 B8 B12 139.6(3) . . . . ?
B11 C7 B8 B12 36.3(3) . . . . ?
C71 C7 B8 B4 146.2(3) . . . . ?
B2 C7 B8 B4 2.2(4) . . . . ?
B3 C7 B8 B4 38.5(3) . . . . ?
B12 C7 B8 B4 -101.2(3) . . . . ?
B11 C7 B8 B4 -64.8(4) . . . . ?
C71 C7 B8 B9 -151.7(3) . . . . ?
B2 C7 B8 B9 64.4(4) . . . . ?
B3 C7 B8 B9 100.6(3) . . . . ?
B12 C7 B8 B9 -39.0(3) . . . . ?
B11 C7 B8 B9 -2.7(4) . . . . ?
C1 B3 B8 C7 97.1(3) . . . . ?
B4 B3 B8 C7 136.2(3) . . . . ?
B2 B3 B8 C7 33.6(3) . . . . ?
C1 B3 B8 B12 61.4(4) . . . . ?
C7 B3 B8 B12 -35.7(3) . . . . ?
B4 B3 B8 B12 100.5(3) . . . . ?
B2 B3 B8 B12 -2.1(4) . . . . ?
C1 B3 B8 B4 -39.2(3) . . . . ?
C7 B3 B8 B4 -136.2(3) . . . . ?
B2 B3 B8 B4 -102.6(3) . . . . ?
C1 B3 B8 B9 -1.6(4) . . . . ?
C7 B3 B8 B9 -98.7(3) . . . . ?
B4 B3 B8 B9 37.5(3) . . . . ?
B2 B3 B8 B9 -65.1(4) . . . . ?
C1 B4 B8 C7 -1.0(4) . . . . ?
B3 B4 B8 C7 -38.3(3) . . . . ?
B9 B4 B8 C7 99.2(3) . . . . ?
B5 B4 B8 C7 60.9(3) . . . . ?
C1 B4 B8 B3 37.2(3) . . . . ?
B9 B4 B8 B3 137.4(3) . . . . ?
B5 B4 B8 B3 99.2(3) . . . . ?
C1 B4 B8 B12 -63.2(3) . . . . ?
B3 B4 B8 B12 -100.5(3) . . . . ?
B9 B4 B8 B12 37.0(3) . . . . ?
B5 B4 B8 B12 -1.3(4) . . . . ?
C1 B4 B8 B9 -100.2(3) . . . . ?
B3 B4 B8 B9 -137.4(3) . . . . ?
B5 B4 B8 B9 -38.3(3) . . . . ?
C1 B4 B9 B5 -38.6(3) . . . . ?
B3 B4 B9 B5 -99.2(3) . . . . ?
B8 B4 B9 B5 -137.1(3) . . . . ?
C1 B4 B9 B12 61.4(4) . . . . ?
B3 B4 B9 B12 0.7(4) . . . . ?
B5 B4 B9 B12 100.0(3) . . . . ?
B8 B4 B9 B12 -37.1(3) . . . . ?
C1 B4 B9 B10 -2.2(4) . . . . ?
B3 B4 B9 B10 -62.9(4) . . . . ?
B5 B4 B9 B10 36.4(3) . . . . ?
B8 B4 B9 B10 -100.7(3) . . . . ?
C1 B4 B9 B8 98.5(3) . . . . ?
B3 B4 B9 B8 37.9(3) . . . . ?
B5 B4 B9 B8 137.1(3) . . . . ?
C1 B5 B9 B4 39.0(3) . . . . ?
B6 B5 B9 B4 101.4(3) . . . . ?
B10 B5 B9 B4 139.5(3) . . . . ?
C1 B5 B9 B12 -62.4(4) . . . . ?
B6 B5 B9 B12 0.0(4) . . . . ?
B4 B5 B9 B12 -101.4(3) . . . . ?
B10 B5 B9 B12 38.1(3) . . . . ?
C1 B5 B9 B10 -100.5(3) . . . . ?
B6 B5 B9 B10 -38.1(3) . . . . ?
B4 B5 B9 B10 -139.5(3) . . . . ?
C1 B5 B9 B8 0.7(4) . . . . ?
B6 B5 B9 B8 63.1(4) . . . . ?
B4 B5 B9 B8 -38.3(3) . . . . ?
B10 B5 B9 B8 101.2(3) . . . . ?
C7 B8 B9 B4 -99.7(3) . . . . ?
B3 B8 B9 B4 -37.7(3) . . . . ?
B12 B8 B9 B4 -138.5(3) . . . . ?
C7 B8 B9 B5 -61.5(4) . . . . ?
B3 B8 B9 B5 0.6(4) . . . . ?
B12 B8 B9 B5 -100.3(3) . . . . ?
B4 B8 B9 B5 38.2(3) . . . . ?
C7 B8 B9 B12 38.7(3) . . . . ?
B3 B8 B9 B12 100.8(3) . . . . ?
B4 B8 B9 B12 138.5(3) . . . . ?
C7 B8 B9 B10 1.8(4) . . . . ?
B3 B8 B9 B10 63.9(4) . . . . ?
B12 B8 B9 B10 -37.0(3) . . . . ?
B4 B8 B9 B10 101.5(3) . . . . ?
C1 B5 B10 B11 -1.3(4) . . . . ?
B6 B5 B10 B11 37.2(3) . . . . ?
B4 B5 B10 B11 -64.5(4) . . . . ?
B9 B5 B10 B11 -100.9(3) . . . . ?
C1 B5 B10 B12 61.5(4) . . . . ?
B6 B5 B10 B12 100.1(3) . . . . ?
B4 B5 B10 B12 -1.6(4) . . . . ?
B9 B5 B10 B12 -38.0(3) . . . . ?
C1 B5 B10 B9 99.6(3) . . . . ?
B6 B5 B10 B9 138.1(3) . . . . ?
B4 B5 B10 B9 36.4(3) . . . . ?
C1 B5 B10 B6 -38.5(3) . . . . ?
B4 B5 B10 B6 -101.7(3) . . . . ?
B9 B5 B10 B6 -138.1(3) . . . . ?
B4 B9 B10 B5 -36.4(3) . . . . ?
B12 B9 B10 B5 -137.1(3) . . . . ?
B8 B9 B10 B5 -100.2(3) . . . . ?
B4 B9 B10 B11 63.5(4) . . . . ?
B5 B9 B10 B11 99.9(3) . . . . ?
B12 B9 B10 B11 -37.2(3) . . . . ?
B8 B9 B10 B11 -0.3(4) . . . . ?
B4 B9 B10 B12 100.7(3) . . . . ?
B5 B9 B10 B12 137.1(3) . . . . ?
B8 B9 B10 B12 36.9(3) . . . . ?
B4 B9 B10 B6 0.6(4) . . . . ?
B5 B9 B10 B6 37.0(3) . . . . ?
B12 B9 B10 B6 -100.1(3) . . . . ?
B8 B9 B10 B6 -63.2(4) . . . . ?
C1 B6 B10 B5 38.5(3) . . . . ?
B2 B6 B10 B5 101.0(3) . . . . ?
B11 B6 B10 B5 138.0(3) . . . . ?
C1 B6 B10 B11 -99.6(3) . . . . ?
B5 B6 B10 B11 -138.0(3) . . . . ?
B2 B6 B10 B11 -37.0(3) . . . . ?
C1 B6 B10 B12 -61.8(4) . . . . ?
B5 B6 B10 B12 -100.3(3) . . . . ?
B2 B6 B10 B12 0.8(4) . . . . ?
B11 B6 B10 B12 37.8(3) . . . . ?
C1 B6 B10 B9 1.3(4) . . . . ?
B5 B6 B10 B9 -37.2(3) . . . . ?
B2 B6 B10 B9 63.8(4) . . . . ?
B11 B6 B10 B9 100.8(3) . . . . ?
C71 C7 B11 B2 -106.4(4) . . . . ?
B8 C7 B11 B2 104.8(3) . . . . ?
B3 C7 B11 B2 37.9(3) . . . . ?
B12 C7 B11 B2 141.4(3) . . . . ?
C71 C7 B11 B12 112.2(4) . . . . ?
B2 C7 B11 B12 -141.4(3) . . . . ?
B8 C7 B11 B12 -36.6(3) . . . . ?
B3 C7 B11 B12 -103.5(3) . . . . ?
C71 C7 B11 B10 151.4(3) . . . . ?
B2 C7 B11 B10 -102.3(3) . . . . ?
B8 C7 B11 B10 2.5(4) . . . . ?
B3 C7 B11 B10 -64.4(4) . . . . ?
B12 C7 B11 B10 39.1(3) . . . . ?
C71 C7 B11 B6 -145.2(3) . . . . ?
B2 C7 B11 B6 -38.9(3) . . . . ?
B8 C7 B11 B6 65.9(4) . . . . ?
B3 C7 B11 B6 -1.0(4) . . . . ?
B12 C7 B11 B6 102.5(3) . . . . ?
C1 B2 B11 C7 -97.0(3) . . . . ?
B6 B2 B11 C7 -135.6(3) . . . . ?
B3 B2 B11 C7 -36.0(3) . . . . ?
C7 B2 B11 B12 34.1(3) . . . . ?
C1 B2 B11 B12 -62.9(4) . . . . ?
B6 B2 B11 B12 -101.4(3) . . . . ?
B3 B2 B11 B12 -1.9(4) . . . . ?
C7 B2 B11 B10 97.9(3) . . . . ?
C1 B2 B11 B10 0.8(4) . . . . ?
B6 B2 B11 B10 -37.7(3) . . . . ?
B3 B2 B11 B10 61.8(4) . . . . ?
C7 B2 B11 B6 135.6(3) . . . . ?
C1 B2 B11 B6 38.6(3) . . . . ?
B3 B2 B11 B6 99.5(3) . . . . ?
B5 B10 B11 C7 61.7(4) . . . . ?
B12 B10 B11 C7 -38.6(3) . . . . ?
B9 B10 B11 C7 -1.3(4) . . . . ?
B6 B10 B11 C7 98.8(3) . . . . ?
B5 B10 B11 B2 0.3(4) . . . . ?
B12 B10 B11 B2 -100.0(3) . . . . ?
B9 B10 B11 B2 -62.7(4) . . . . ?
B6 B10 B11 B2 37.3(3) . . . . ?
B5 B10 B11 B12 100.3(3) . . . . ?
B9 B10 B11 B12 37.3(3) . . . . ?
B6 B10 B11 B12 137.3(3) . . . . ?
B5 B10 B11 B6 -37.0(3) . . . . ?
B12 B10 B11 B6 -137.3(3) . . . . ?
B9 B10 B11 B6 -100.1(3) . . . . ?
C1 B6 B11 C7 -0.5(4) . . . . ?
B5 B6 B11 C7 -63.0(4) . . . . ?
B2 B6 B11 C7 38.2(3) . . . . ?
B10 B6 B11 C7 -100.2(3) . . . . ?
C1 B6 B11 B2 -38.7(3) . . . . ?
B5 B6 B11 B2 -101.2(3) . . . . ?
B10 B6 B11 B2 -138.4(3) . . . . ?
C1 B6 B11 B12 61.4(4) . . . . ?
B5 B6 B11 B12 -1.1(4) . . . . ?
B2 B6 B11 B12 100.0(3) . . . . ?
B10 B6 B11 B12 -38.3(3) . . . . ?
C1 B6 B11 B10 99.7(3) . . . . ?
B5 B6 B11 B10 37.2(3) . . . . ?
B2 B6 B11 B10 138.4(3) . . . . ?
C71 C7 B12 B11 -109.5(4) . . . . ?
B2 C7 B12 B11 36.2(3) . . . . ?
B8 C7 B12 B11 141.2(3) . . . . ?
B3 C7 B12 B11 103.4(3) . . . . ?
C71 C7 B12 B9 148.6(3) . . . . ?
B2 C7 B12 B9 -65.8(4) . . . . ?
B8 C7 B12 B9 39.2(3) . . . . ?
B3 C7 B12 B9 1.5(4) . . . . ?
B11 C7 B12 B9 -101.9(3) . . . . ?
C71 C7 B12 B8 109.3(4) . . . . ?
B2 C7 B12 B8 -105.0(3) . . . . ?
B3 C7 B12 B8 -37.8(3) . . . . ?
B11 C7 B12 B8 -141.2(3) . . . . ?
C71 C7 B12 B10 -148.6(3) . . . . ?
B2 C7 B12 B10 -2.9(4) . . . . ?
B8 C7 B12 B10 102.1(3) . . . . ?
B3 C7 B12 B10 64.3(4) . . . . ?
B11 C7 B12 B10 -39.1(3) . . . . ?
B2 B11 B12 C7 -33.9(3) . . . . ?
B10 B11 B12 C7 -135.7(3) . . . . ?
B6 B11 B12 C7 -97.2(3) . . . . ?
C7 B11 B12 B9 98.3(3) . . . . ?
B2 B11 B12 B9 64.4(4) . . . . ?
B10 B11 B12 B9 -37.4(3) . . . . ?
B6 B11 B12 B9 1.1(4) . . . . ?
C7 B11 B12 B8 34.4(3) . . . . ?
B2 B11 B12 B8 0.6(4) . . . . ?
B10 B11 B12 B8 -101.2(3) . . . . ?
B6 B11 B12 B8 -62.7(4) . . . . ?
C7 B11 B12 B10 135.7(3) . . . . ?
B2 B11 B12 B10 101.8(3) . . . . ?
B6 B11 B12 B10 38.5(3) . . . . ?
B4 B9 B12 C7 -1.3(4) . . . . ?
B5 B9 B12 C7 62.1(4) . . . . ?
B10 B9 B12 C7 100.1(3) . . . . ?
B8 B9 B12 C7 -38.6(3) . . . . ?
B4 B9 B12 B11 -64.1(4) . . . . ?
B5 B9 B12 B11 -0.7(4) . . . . ?
B10 B9 B12 B11 37.4(3) . . . . ?
B8 B9 B12 B11 -101.3(3) . . . . ?
B4 B9 B12 B8 37.3(3) . . . . ?
B5 B9 B12 B8 100.6(3) . . . . ?
B10 B9 B12 B8 138.7(3) . . . . ?
B4 B9 B12 B10 -101.4(3) . . . . ?
B5 B9 B12 B10 -38.1(3) . . . . ?
B8 B9 B12 B10 -138.7(3) . . . . ?
B3 B8 B12 C7 35.7(3) . . . . ?
B4 B8 B12 C7 98.7(3) . . . . ?
B9 B8 B12 C7 135.5(3) . . . . ?
C7 B8 B12 B11 -34.8(3) . . . . ?
B3 B8 B12 B11 0.9(4) . . . . ?
B4 B8 B12 B11 63.9(4) . . . . ?
B9 B8 B12 B11 100.7(3) . . . . ?
C7 B8 B12 B9 -135.5(3) . . . . ?
B3 B8 B12 B9 -99.8(3) . . . . ?
B4 B8 B12 B9 -36.8(3) . . . . ?
C7 B8 B12 B10 -98.4(3) . . . . ?
B3 B8 B12 B10 -62.7(4) . . . . ?
B4 B8 B12 B10 0.3(4) . . . . ?
B9 B8 B12 B10 37.1(3) . . . . ?
B5 B10 B12 C7 -61.2(4) . . . . ?
B11 B10 B12 C7 39.0(3) . . . . ?
B9 B10 B12 C7 -99.2(3) . . . . ?
B6 B10 B12 C7 1.2(4) . . . . ?
B5 B10 B12 B11 -100.2(3) . . . . ?
B9 B10 B12 B11 -138.2(3) . . . . ?
B6 B10 B12 B11 -37.7(3) . . . . ?
B5 B10 B12 B9 38.0(3) . . . . ?
B11 B10 B12 B9 138.2(3) . . . . ?
B6 B10 B12 B9 100.5(3) . . . . ?
B5 B10 B12 B8 0.8(4) . . . . ?
B11 B10 B12 B8 101.0(3) . . . . ?
B9 B10 B12 B8 -37.2(3) . . . . ?
B6 B10 B12 B8 63.3(4) . . . . ?
B3 C1 C11 C111 74.1(4) . . . . ?
B6 C1 C11 C111 -68.6(4) . . . . ?
B5 C1 C11 C111 -141.5(3) . . . . ?
B2 C1 C11 C111 2.7(4) . . . . ?
B4 C1 C11 C111 145.8(3) . . . . ?
B3 C1 C11 C12 -48.1(4) . . . . ?
B6 C1 C11 C12 169.3(3) . . . . ?
B5 C1 C11 C12 96.3(4) . . . . ?
B2 C1 C11 C12 -119.5(3) . . . . ?
B4 C1 C11 C12 23.6(4) . . . . ?
B3 C1 C11 C16 -165.1(3) . . . . ?
B6 C1 C11 C16 52.2(4) . . . . ?
B5 C1 C11 C16 -20.7(4) . . . . ?
B2 C1 C11 C16 123.5(3) . . . . ?
B4 C1 C11 C16 -93.4(4) . . . . ?
C111 C11 C12 C13 62.7(4) . . . . ?
C16 C11 C12 C13 -56.9(4) . . . . ?
C1 C11 C12 C13 -176.4(3) . . . . ?
C11 C12 C13 C14 56.7(5) . . . . ?
C12 C13 C14 C15 -54.2(5) . . . . ?
C13 C14 C15 C16 55.8(4) . . . . ?
C14 C15 C16 C11 -59.8(4) . . . . ?
C111 C11 C16 C15 -62.0(4) . . . . ?
C12 C11 C16 C15 58.2(4) . . . . ?
C1 C11 C16 C15 177.9(3) . . . . ?
C12 C11 C111 C112 28.4(5) . . . . ?
C16 C11 C111 C112 145.6(4) . . . . ?
C1 C11 C111 C112 -93.5(4) . . . . ?
C12 C11 C111 C115 -153.8(4) . . . . ?
C16 C11 C111 C115 -36.6(5) . . . . ?
C1 C11 C111 C115 84.3(4) . . . . ?
C115 C111 C112 C113 -0.2(5) . . . . ?
C11 C111 C112 C113 178.0(4) . . . . ?
C111 C112 C113 C114 0.1(5) . . . . ?
C112 C113 C114 C115 -0.1(5) . . . . ?
C113 C114 C115 C111 0.0(5) . . . . ?
C112 C111 C115 C114 0.1(5) . . . . ?
C11 C111 C115 C114 -178.0(4) . . . . ?
B2 C7 C71 C711 69.6(4) . . . . ?
B8 C7 C71 C711 -72.8(4) . . . . ?
B3 C7 C71 C711 -1.3(4) . . . . ?
B12 C7 C71 C711 -146.4(3) . . . . ?
B11 C7 C71 C711 140.7(3) . . . . ?
B2 C7 C71 C76 -169.2(3) . . . . ?
B8 C7 C71 C76 48.3(4) . . . . ?
B3 C7 C71 C76 119.9(3) . . . . ?
B12 C7 C71 C76 -25.3(5) . . . . ?
B11 C7 C71 C76 -98.2(4) . . . . ?
B2 C7 C71 C72 -52.4(4) . . . . ?
B8 C7 C71 C72 165.1(3) . . . . ?
B3 C7 C71 C72 -123.3(3) . . . . ?
B12 C7 C71 C72 91.5(4) . . . . ?
B11 C7 C71 C72 18.6(4) . . . . ?
C711 C71 C72 C73 63.5(4) . . . . ?
C76 C71 C72 C73 -56.9(4) . . . . ?
C7 C71 C72 C73 -176.4(3) . . . . ?
C71 C72 C73 C74 58.0(5) . . . . ?
C72 C73 C74 C75 -55.8(5) . . . . ?
C73 C74 C75 C76 56.8(5) . . . . ?
C74 C75 C76 C71 -60.3(5) . . . . ?
C711 C71 C76 C75 -62.9(4) . . . . ?
C72 C71 C76 C75 58.0(4) . . . . ?
C7 C71 C76 C75 177.5(3) . . . . ?
C76 C71 C711 C715 147.0(4) . . . . ?
C72 C71 C711 C715 29.4(5) . . . . ?
C7 C71 C711 C715 -92.0(4) . . . . ?
C76 C71 C711 C712 -36.0(5) . . . . ?
C72 C71 C711 C712 -153.7(4) . . . . ?
C7 C71 C711 C712 85.0(4) . . . . ?
C715 C711 C712 C713 2.2(5) . . . . ?
C71 C711 C712 C713 -175.3(4) . . . . ?
C711 C712 C713 C714 -1.8(5) . . . . ?
C712 C713 C714 C715 0.8(5) . . . . ?
C712 C711 C715 C714 -1.7(5) . . . . ?
C71 C711 C715 C714 175.8(4) . . . . ?
C713 C714 C715 C711 0.5(5) . . . . ?
