#------------------------------------------------------------------------------
#$Date: 2016-11-08 12:52:13 +0100 (mar 08 de nov de 2016) $
#$Revision: 188053 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/67/4086762.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_4086762
loop_
_publ_author_name
'Takashi Yoshimoto'
'Hisako Hashimoto'
'Naoki Hayakawa'
'Tsukasa Matsuo'
'Hiromi Tobita'
_publ_section_title
;
 A Silylyne Tungsten Complex Having an Eind Group on Silicon: Its
 Dimer--Monomer Equilibrium and Cycloaddition Reactions with Carbodiimide
 and Diaryl Ketones
;
_journal_name_full               Organometallics
_journal_page_first              3444
_journal_page_last               3447
_journal_paper_doi               10.1021/om6b00670
_journal_year                    2016
_chemical_formula_moiety         '(C11 H21 N2), (C18 H B F15)'
_chemical_formula_sum            'C29 H22 B F15 N2'
_chemical_formula_weight         694.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 94.9836(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3068(3)
_cell_length_b                   11.0982(5)
_cell_length_c                   28.5353(10)
_cell_measurement_reflns_used    35395
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.44
_cell_volume                     2936.23(19)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1. 11'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita,Nemoto et al.,2009)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.,2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0839
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            42296
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_T_max  0.9921
_exptl_absorpt_correction_T_min  0.9689
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         6725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.268
_refine_ls_R_factor_all          0.1215
_refine_ls_R_factor_gt           0.0937
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0619P)²+4.5050P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1908
_refine_ls_wR_factor_ref         0.2076
_reflns_number_gt                5266
_reflns_number_total             6725
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om6b00670_si_002.cif
_cod_data_source_block           '[HMeIiPr][HS(C6F5)3]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 4624 2016-04-14 12:54:50Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4086762
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.4053(4) 0.1416(4) 0.12760(13) 0.0242(8) Uani 1 1 d . . .
H1 H 0.349(4) 0.054(4) 0.1265(13) 0.030(10) Uiso 1 1 d . . .
C1 C 0.1923(4) 0.2406(3) 0.36719(12) 0.0270(7) Uani 1 1 d . . .
H2 H 0.1824 0.2798 0.3375 0.032 Uiso 1 1 calc R . .
N1 N 0.1156(3) 0.2650(3) 0.40311(11) 0.0290(7) Uani 1 1 d . B .
N2 N 0.2848(3) 0.1530(3) 0.37919(10) 0.0247(6) Uani 1 1 d . . .
C2 C 0.1600(4) 0.1882(3) 0.44011(12) 0.0279(7) Uani 1 1 d . . .
C3 C 0.2668(4) 0.1191(3) 0.42510(12) 0.0275(7) Uani 1 1 d . . .
C4 C 0.0003(5) 0.3579(4) 0.40351(16) 0.0440(10) Uani 1 1 d . . .
H4 H -0.0566 0.3307 0.4297 0.053 Uiso 1 1 calc R A 1
C5 C -0.1039(5) 0.3458(5) 0.3616(2) 0.0646(15) Uani 1 1 d . B .
H5 H -0.1894 0.3949 0.3657 0.097 Uiso 1 1 calc R . .
H6 H -0.1322 0.2612 0.3575 0.097 Uiso 1 1 calc R . .
H7 H -0.0589 0.3735 0.3337 0.097 Uiso 1 1 calc R . .
C6A C 0.0541(11) 0.4724(9) 0.4194(5) 0.052(3) Uiso 0.56(3) 1 d P B 1
H9 H 0.1015 0.4644 0.4513 0.077 Uiso 0.56(3) 1 calc PR B 1
H10 H -0.0261 0.5296 0.4197 0.077 Uiso 0.56(3) 1 calc PR B 1
H11 H 0.1238 0.5018 0.3982 0.077 Uiso 0.56(3) 1 calc PR B 1
C6B C 0.0718(13) 0.4883(11) 0.3971(7) 0.052(4) Uiso 0.44(3) 1 d P B 2
H12 H -0.0014 0.5509 0.3994 0.078 Uiso 0.44(3) 1 calc PR B 2
H13 H 0.1099 0.4928 0.3662 0.078 Uiso 0.44(3) 1 calc PR B 2
H14 H 0.1504 0.5005 0.4218 0.078 Uiso 0.44(3) 1 calc PR B 2
C7 C 0.3851(4) 0.0955(3) 0.34801(12) 0.0280(8) Uani 1 1 d . . .
H15 H 0.3847 0.0069 0.3543 0.034 Uiso 1 1 calc R . .
C8 C 0.3340(4) 0.1142(4) 0.29664(13) 0.0345(9) Uani 1 1 d . . .
H16 H 0.2332 0.0884 0.2911 0.052 Uiso 1 1 calc R . .
H17 H 0.3939 0.0664 0.2770 0.052 Uiso 1 1 calc R . .
H18 H 0.3417 0.1997 0.2887 0.052 Uiso 1 1 calc R . .
C9 C 0.5382(4) 0.1407(4) 0.36011(15) 0.0409(10) Uani 1 1 d . . .
H19 H 0.5428 0.2271 0.3532 0.061 Uiso 1 1 calc R . .
H20 H 0.6044 0.0970 0.3413 0.061 Uiso 1 1 calc R . .
H21 H 0.5659 0.1273 0.3936 0.061 Uiso 1 1 calc R . .
C10 C 0.0915(5) 0.1852(4) 0.48520(14) 0.0432(10) Uani 1 1 d . . .
H22 H -0.0097 0.1613 0.4792 0.065 Uiso 1 1 calc R . .
H23 H 0.0969 0.2655 0.4996 0.065 Uiso 1 1 calc R . .
H24 H 0.1422 0.1271 0.5065 0.065 Uiso 1 1 calc R . .
C11 C 0.3524(6) 0.0224(5) 0.45019(15) 0.0567(14) Uani 1 1 d . . .
H25 H 0.3167 0.0092 0.4811 0.085 Uiso 1 1 calc R . .
H26 H 0.4540 0.0464 0.4542 0.085 Uiso 1 1 calc R . .
H27 H 0.3428 -0.0522 0.4318 0.085 Uiso 1 1 calc R . .
C12 C 0.2757(3) 0.2388(3) 0.13352(11) 0.0239(7) Uani 1 1 d . . .
C13 C 0.1736(4) 0.2140(3) 0.16503(12) 0.0300(8) Uani 1 1 d . . .
C14 C 0.0580(4) 0.2881(4) 0.17198(14) 0.0397(10) Uani 1 1 d . . .
C15 C 0.0393(4) 0.3924(4) 0.14699(14) 0.0386(9) Uani 1 1 d . . .
C16 C 0.1375(4) 0.4231(4) 0.11544(14) 0.0349(9) Uani 1 1 d . . .
C17 C 0.2523(4) 0.3464(3) 0.10999(12) 0.0279(7) Uani 1 1 d . . .
F1 F 0.1857(3) 0.1127(2) 0.19098(8) 0.0457(6) Uani 1 1 d . . .
F2 F -0.0354(3) 0.2587(3) 0.20356(10) 0.0658(9) Uani 1 1 d . . .
F3 F -0.0729(3) 0.4660(3) 0.15302(10) 0.0613(8) Uani 1 1 d . . .
F4 F 0.1218(3) 0.5258(2) 0.09088(10) 0.0534(7) Uani 1 1 d . . .
F5 F 0.3454(2) 0.3855(2) 0.07909(8) 0.0409(6) Uani 1 1 d . . .
C18 C 0.5220(4) 0.1377(3) 0.17413(11) 0.0235(7) Uani 1 1 d . . .
C19 C 0.5987(4) 0.0337(3) 0.18553(13) 0.0310(8) Uani 1 1 d . . .
C20 C 0.7026(4) 0.0238(4) 0.22299(13) 0.0355(9) Uani 1 1 d . . .
C21 C 0.7336(4) 0.1211(4) 0.25165(12) 0.0327(8) Uani 1 1 d . . .
C22 C 0.6600(4) 0.2267(3) 0.24233(12) 0.0289(8) Uani 1 1 d . . .
C23 C 0.5570(4) 0.2327(3) 0.20421(12) 0.0269(7) Uani 1 1 d . . .
F6 F 0.5782(3) -0.0659(2) 0.15814(9) 0.0508(7) Uani 1 1 d . . .
F7 F 0.7757(3) -0.0803(2) 0.23139(9) 0.0565(7) Uani 1 1 d . . .
F8 F 0.8353(3) 0.1131(2) 0.28785(8) 0.0457(6) Uani 1 1 d . . .
F9 F 0.6887(3) 0.3237(2) 0.26969(8) 0.0471(6) Uani 1 1 d . . .
F10 F 0.4932(2) 0.34144(19) 0.19650(8) 0.0390(6) Uani 1 1 d . . .
C24 C 0.4854(4) 0.1619(3) 0.07921(12) 0.0278(7) Uani 1 1 d . . .
C25 C 0.6236(4) 0.2030(4) 0.07569(14) 0.0391(9) Uani 1 1 d . . .
C26 C 0.6876(5) 0.2120(5) 0.03371(17) 0.0517(12) Uani 1 1 d . . .
C27 C 0.6116(6) 0.1826(5) -0.00734(16) 0.0589(15) Uani 1 1 d . . .
C28 C 0.4736(6) 0.1428(4) -0.00666(14) 0.0511(13) Uani 1 1 d . . .
C29 C 0.4136(4) 0.1314(4) 0.03587(14) 0.0390(10) Uani 1 1 d . . .
F11 F 0.7061(3) 0.2405(3) 0.11437(9) 0.0544(7) Uani 1 1 d . . .
F12 F 0.8240(3) 0.2523(4) 0.03405(12) 0.0847(11) Uani 1 1 d . . .
F13 F 0.6730(4) 0.1920(3) -0.04826(10) 0.0886(13) Uani 1 1 d . . .
F14 F 0.3972(4) 0.1113(3) -0.04712(9) 0.0765(11) Uani 1 1 d . . .
F15 F 0.2776(3) 0.0884(3) 0.03434(9) 0.0525(7) 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 0.0033 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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
C12 B1 C24 112.9(3) . .
C12 B1 C18 112.0(3) . .
C24 B1 C18 111.6(3) . .
C12 B1 H1 104(2) . .
C24 B1 H1 110(2) . .
C18 B1 H1 106.1(19) . .
N2 C1 N1 109.4(3) . .
N2 C1 H2 125.3 . .
N1 C1 H2 125.3 . .
C1 N1 C2 108.4(3) . .
C1 N1 C4 125.7(3) . .
C2 N1 C4 125.8(3) . .
C1 N2 C3 108.3(3) . .
C1 N2 C7 126.0(3) . .
C3 N2 C7 125.6(3) . .
C3 C2 N1 106.5(3) . .
C3 C2 C10 130.1(4) . .
N1 C2 C10 123.3(3) . .
C2 C3 N2 107.3(3) . .
C2 C3 C11 129.4(3) . .
N2 C3 C11 123.2(3) . .
C6A C4 C5 121.7(6) . .
C6A C4 N1 112.7(5) . .
C5 C4 N1 110.7(3) . .
C6A C4 C6B 25.5(5) . .
C5 C4 C6B 103.8(7) . .
N1 C4 C6B 108.5(5) . .
C6A C4 H4 103.0 . .
C5 C4 H4 103.0 . .
N1 C4 H4 103.0 . .
C6B C4 H4 127.4 . .
C4 C5 H5 109.5 . .
C4 C5 H6 109.5 . .
H5 C5 H6 109.5 . .
C4 C5 H7 109.5 . .
H5 C5 H7 109.5 . .
H6 C5 H7 109.5 . .
C4 C6A H9 109.5 . .
C4 C6A H10 109.5 . .
C4 C6A H11 109.5 . .
C4 C6B H12 109.5 . .
C4 C6B H13 109.5 . .
H12 C6B H13 109.5 . .
C4 C6B H14 109.5 . .
H12 C6B H14 109.5 . .
H13 C6B H14 109.5 . .
N2 C7 C8 111.1(3) . .
N2 C7 C9 110.3(3) . .
C8 C7 C9 112.6(3) . .
N2 C7 H15 107.6 . .
C8 C7 H15 107.6 . .
C9 C7 H15 107.6 . .
C7 C8 H16 109.5 . .
C7 C8 H17 109.5 . .
H16 C8 H17 109.5 . .
C7 C8 H18 109.5 . .
H16 C8 H18 109.5 . .
H17 C8 H18 109.5 . .
C7 C9 H19 109.5 . .
C7 C9 H20 109.5 . .
H19 C9 H20 109.5 . .
C7 C9 H21 109.5 . .
H19 C9 H21 109.5 . .
H20 C9 H21 109.5 . .
C2 C10 H22 109.5 . .
C2 C10 H23 109.5 . .
H22 C10 H23 109.5 . .
C2 C10 H24 109.5 . .
H22 C10 H24 109.5 . .
H23 C10 H24 109.5 . .
C3 C11 H25 109.5 . .
C3 C11 H26 109.5 . .
H25 C11 H26 109.5 . .
C3 C11 H27 109.5 . .
H25 C11 H27 109.5 . .
H26 C11 H27 109.5 . .
C17 C12 C13 113.5(3) . .
C17 C12 B1 127.4(3) . .
C13 C12 B1 119.1(3) . .
F1 C13 C14 116.6(3) . .
F1 C13 C12 119.5(3) . .
C14 C13 C12 124.0(4) . .
F2 C14 C15 119.7(4) . .
F2 C14 C13 120.6(4) . .
C15 C14 C13 119.7(4) . .
F3 C15 C14 120.9(4) . .
F3 C15 C16 119.8(4) . .
C14 C15 C16 119.3(4) . .
F4 C16 C15 120.2(3) . .
F4 C16 C17 120.9(4) . .
C15 C16 C17 118.9(4) . .
F5 C17 C12 120.6(3) . .
F5 C17 C16 114.7(3) . .
C12 C17 C16 124.6(3) . .
C23 C18 C19 113.7(3) . .
C23 C18 B1 125.9(3) . .
C19 C18 B1 120.3(3) . .
F6 C19 C18 120.1(3) . .
F6 C19 C20 115.7(3) . .
C18 C19 C20 124.2(3) . .
F7 C20 C21 119.4(3) . .
F7 C20 C19 120.9(3) . .
C21 C20 C19 119.7(3) . .
F8 C21 C20 120.3(3) . .
F8 C21 C22 120.9(3) . .
C20 C21 C22 118.8(3) . .
F9 C22 C21 120.1(3) . .
F9 C22 C23 120.4(3) . .
C21 C22 C23 119.5(3) . .
F10 C23 C18 120.2(3) . .
F10 C23 C22 115.7(3) . .
C18 C23 C22 124.1(3) . .
C25 C24 C29 113.2(3) . .
C25 C24 B1 127.0(3) . .
C29 C24 B1 119.7(3) . .
F11 C25 C24 120.6(3) . .
F11 C25 C26 115.3(4) . .
C24 C25 C26 124.1(4) . .
F12 C26 C27 120.5(4) . .
F12 C26 C25 119.6(5) . .
C27 C26 C25 119.9(5) . .
F13 C27 C26 120.1(5) . .
F13 C27 C28 120.6(5) . .
C26 C27 C28 119.3(4) . .
F14 C28 C27 120.0(4) . .
F14 C28 C29 120.3(5) . .
C27 C28 C29 119.7(4) . .
F15 C29 C28 116.9(4) . .
F15 C29 C24 119.3(4) . .
C28 C29 C24 123.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 C12 1.639(5) .
B1 C24 1.641(5) .
B1 C18 1.641(5) .
B1 H1 1.10(4) .
C1 N2 1.323(4) .
C1 N1 1.327(5) .
C1 H2 0.9500 .
N1 C2 1.392(5) .
N1 C4 1.489(5) .
N2 C3 1.387(4) .
N2 C7 1.488(4) .
C2 C3 1.354(5) .
C2 C10 1.485(5) .
C3 C11 1.483(5) .
C4 C6A 1.425(10) .
C4 C5 1.480(6) .
C4 C6B 1.609(15) .
C4 H4 1.0000 .
C5 H5 0.9800 .
C5 H6 0.9800 .
C5 H7 0.9800 .
C6A H9 0.9800 .
C6A H10 0.9800 .
C6A H11 0.9800 .
C6B H12 0.9800 .
C6B H13 0.9800 .
C6B H14 0.9800 .
C7 C8 1.515(5) .
C7 C9 1.521(5) .
C7 H15 1.0000 .
C8 H16 0.9800 .
C8 H17 0.9800 .
C8 H18 0.9800 .
C9 H19 0.9800 .
C9 H20 0.9800 .
C9 H21 0.9800 .
C10 H22 0.9800 .
C10 H23 0.9800 .
C10 H24 0.9800 .
C11 H25 0.9800 .
C11 H26 0.9800 .
C11 H27 0.9800 .
C12 C17 1.378(5) .
C12 C13 1.391(5) .
C13 F1 1.346(4) .
C13 C14 1.382(6) .
C14 F2 1.345(5) .
C14 C15 1.362(6) .
C15 F3 1.348(4) .
C15 C16 1.380(6) .
C16 F4 1.340(5) .
C16 C17 1.385(5) .
C17 F5 1.359(4) .
C18 C23 1.381(5) .
C18 C19 1.381(5) .
C19 F6 1.358(4) .
C19 C20 1.382(5) .
C20 F7 1.352(4) .
C20 C21 1.371(6) .
C21 F8 1.342(4) .
C21 C22 1.371(5) .
C22 F9 1.343(4) .
C22 C23 1.387(5) .
C23 F10 1.354(4) .
C24 C25 1.377(6) .
C24 C29 1.396(5) .
C25 F11 1.354(5) .
C25 C26 1.387(6) .
C26 F12 1.345(6) .
C26 C27 1.355(8) .
C27 F13 1.348(5) .
C27 C28 1.360(8) .
C28 F14 1.348(5) .
C28 C29 1.385(6) .
C29 F15 1.350(5) .
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
N2 C1 N1 C2 -0.6(4) . . . .
N2 C1 N1 C4 -180.0(3) . . . .
N1 C1 N2 C3 0.1(4) . . . .
N1 C1 N2 C7 176.8(3) . . . .
C1 N1 C2 C3 0.9(4) . . . .
C4 N1 C2 C3 -179.7(3) . . . .
C1 N1 C2 C10 -176.4(3) . . . .
C4 N1 C2 C10 3.0(6) . . . .
N1 C2 C3 N2 -0.9(4) . . . .
C10 C2 C3 N2 176.2(4) . . . .
N1 C2 C3 C11 -180.0(4) . . . .
C10 C2 C3 C11 -2.9(7) . . . .
C1 N2 C3 C2 0.5(4) . . . .
C7 N2 C3 C2 -176.2(3) . . . .
C1 N2 C3 C11 179.7(4) . . . .
C7 N2 C3 C11 3.0(6) . . . .
C1 N1 C4 C6A -90.3(8) . . . .
C2 N1 C4 C6A 90.4(8) . . . .
C1 N1 C4 C5 49.8(6) . . . .
C2 N1 C4 C5 -129.5(4) . . . .
C1 N1 C4 C6B -63.4(8) . . . .
C2 N1 C4 C6B 117.3(8) . . . .
C1 N2 C7 C8 -21.2(5) . . . .
C3 N2 C7 C8 155.0(3) . . . .
C1 N2 C7 C9 104.3(4) . . . .
C3 N2 C7 C9 -79.5(4) . . . .
C24 B1 C12 C17 -16.7(5) . . . .
C18 B1 C12 C17 110.2(4) . . . .
C24 B1 C12 C13 162.5(3) . . . .
C18 B1 C12 C13 -70.5(4) . . . .
C17 C12 C13 F1 -178.7(3) . . . .
B1 C12 C13 F1 2.0(5) . . . .
C17 C12 C13 C14 1.0(5) . . . .
B1 C12 C13 C14 -178.4(3) . . . .
F1 C13 C14 F2 0.5(5) . . . .
C12 C13 C14 F2 -179.2(3) . . . .
F1 C13 C14 C15 179.8(3) . . . .
C12 C13 C14 C15 0.1(6) . . . .
F2 C14 C15 F3 -0.9(6) . . . .
C13 C14 C15 F3 179.8(3) . . . .
F2 C14 C15 C16 178.6(4) . . . .
C13 C14 C15 C16 -0.8(6) . . . .
F3 C15 C16 F4 0.1(6) . . . .
C14 C15 C16 F4 -179.3(4) . . . .
F3 C15 C16 C17 179.7(3) . . . .
C14 C15 C16 C17 0.2(6) . . . .
C13 C12 C17 F5 177.8(3) . . . .
B1 C12 C17 F5 -2.9(5) . . . .
C13 C12 C17 C16 -1.6(5) . . . .
B1 C12 C17 C16 177.7(3) . . . .
F4 C16 C17 F5 1.1(5) . . . .
C15 C16 C17 F5 -178.4(3) . . . .
F4 C16 C17 C12 -179.4(3) . . . .
C15 C16 C17 C12 1.0(6) . . . .
C12 B1 C18 C23 -29.8(5) . . . .
C24 B1 C18 C23 97.8(4) . . . .
C12 B1 C18 C19 152.1(3) . . . .
C24 B1 C18 C19 -80.3(4) . . . .
C23 C18 C19 F6 -178.1(3) . . . .
B1 C18 C19 F6 0.2(5) . . . .
C23 C18 C19 C20 -0.7(5) . . . .
B1 C18 C19 C20 177.6(3) . . . .
F6 C19 C20 F7 -1.0(6) . . . .
C18 C19 C20 F7 -178.5(4) . . . .
F6 C19 C20 C21 178.0(3) . . . .
C18 C19 C20 C21 0.5(6) . . . .
F7 C20 C21 F8 -0.3(6) . . . .
C19 C20 C21 F8 -179.3(3) . . . .
F7 C20 C21 C22 179.1(4) . . . .
C19 C20 C21 C22 0.1(6) . . . .
F8 C21 C22 F9 -0.3(5) . . . .
C20 C21 C22 F9 -179.7(3) . . . .
F8 C21 C22 C23 179.0(3) . . . .
C20 C21 C22 C23 -0.4(6) . . . .
C19 C18 C23 F10 178.1(3) . . . .
B1 C18 C23 F10 -0.1(5) . . . .
C19 C18 C23 C22 0.4(5) . . . .
B1 C18 C23 C22 -177.8(3) . . . .
F9 C22 C23 F10 1.6(5) . . . .
C21 C22 C23 F10 -177.7(3) . . . .
F9 C22 C23 C18 179.4(3) . . . .
C21 C22 C23 C18 0.1(6) . . . .
C12 B1 C24 C25 110.4(4) . . . .
C18 B1 C24 C25 -16.8(5) . . . .
C12 B1 C24 C29 -72.5(4) . . . .
C18 B1 C24 C29 160.3(3) . . . .
C29 C24 C25 F11 177.6(4) . . . .
B1 C24 C25 F11 -5.1(6) . . . .
C29 C24 C25 C26 -0.9(6) . . . .
B1 C24 C25 C26 176.3(4) . . . .
F11 C25 C26 F12 2.0(6) . . . .
C24 C25 C26 F12 -179.4(4) . . . .
F11 C25 C26 C27 -176.6(4) . . . .
C24 C25 C26 C27 2.0(7) . . . .
F12 C26 C27 F13 0.9(7) . . . .
C25 C26 C27 F13 179.5(4) . . . .
F12 C26 C27 C28 -179.6(4) . . . .
C25 C26 C27 C28 -1.0(7) . . . .
F13 C27 C28 F14 0.5(7) . . . .
C26 C27 C28 F14 -178.9(4) . . . .
F13 C27 C28 C29 178.6(4) . . . .
C26 C27 C28 C29 -0.8(7) . . . .
F14 C28 C29 F15 -0.2(6) . . . .
C27 C28 C29 F15 -178.3(4) . . . .
F14 C28 C29 C24 -180.0(4) . . . .
C27 C28 C29 C24 1.9(6) . . . .
C25 C24 C29 F15 179.3(3) . . . .
B1 C24 C29 F15 1.8(5) . . . .
C25 C24 C29 C28 -1.0(6) . . . .
B1 C24 C29 C28 -178.5(4) . . . .
