#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:02:19 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229756 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/57/7045707.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_7045707
loop_
_publ_author_name
'Dong, Shunxi'
'Wang, Long'
'Wang, Tongdao'
'Daniliuc, Constantin G.'
'Brinkkötter, Melanie'
'Eckert, Hellmut'
'Kehr, Gerald'
'Erker, Gerhard'
_publ_section_title
;
 Formation and reactions of active five-membered phosphane/borane
 frustrated Lewis pair ring systems.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4449
_journal_page_last               4454
_journal_paper_doi               10.1039/c8dt00672e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C56 H74 B2 F10 P2'
_chemical_formula_weight         1020.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2017-12-18 deposited with the CCDC.
2018-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                103.882(2)
_cell_angle_beta                 97.692(2)
_cell_angle_gamma                100.679(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6253(5)
_cell_length_b                   10.6747(5)
_cell_length_c                   12.3972(6)
_cell_measurement_reflns_used    9306
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      68.5527
_cell_measurement_theta_min      4.3103
_cell_volume                     1317.76(11)
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_collection       'APEX2 v.2014.1.1 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'XP (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'MX mirror'
_diffrn_radiation_type           ' Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13412
_diffrn_reflns_theta_full        68.55
_diffrn_reflns_theta_max         68.55
_diffrn_reflns_theta_min         3.74
_diffrn_source                   'Cu ImS'
_diffrn_source_type              'micro focus tube'
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker AXS (2014). SADABS, Version 2014/2, Bruker AXS Inc., Madison, Wisconsin,
USA.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.935
_refine_diff_density_min         -0.366
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4634
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0643
_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)+(0.0680P)²+2.9819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1639
_refine_ls_wR_factor_ref         0.1709
_reflns_number_gt                3917
_reflns_number_total             4634
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt00672e2.cif
_cod_data_source_block           erk8628
_cod_depositor_comments
'Adding full bibliography for 7045699--7045710.cif.'
_cod_database_code               7045707
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_posn
_atom_site_occupancy
B B1 0.8869(3) 0.4220(4) 0.3775(3) 0.0224(7) Uani d . . 1
C C1 0.8222(3) 0.5960(3) 0.5384(3) 0.0249(7) Uani d . . 1
H H1A 0.7351 0.5893 0.5595 0.03 Uiso calc U R 1
H H1B 0.8685 0.6905 0.5623 0.03 Uiso calc U R 1
P P1 0.91567(7) 0.49857(8) 0.60887(7) 0.0210(2) Uani d . . 1
C C2 0.8081(3) 0.5398(3) 0.4084(3) 0.0251(7) Uani d . . 1
H H2A 0.8423 0.6122 0.3757 0.03 Uiso calc U R 1
H H2B 0.7146 0.5047 0.3742 0.03 Uiso calc U R 1
C C3 0.8768(3) 0.3547(3) 0.4852(3) 0.0231(7) Uani d . . 1
H H3 0.9411 0.2978 0.4896 0.028 Uiso calc U R 1
C C4 0.7355(3) 0.2731(4) 0.4692(3) 0.0287(7) Uani d . . 1
H H4A 0.6769 0.3335 0.4849 0.043 Uiso calc U R 1
H H4B 0.7323 0.2172 0.5214 0.043 Uiso calc U R 1
H H4C 0.7078 0.2171 0.3912 0.043 Uiso calc U R 1
C C11 0.8163(3) 0.4458(3) 0.7121(2) 0.0196(6) Uani d . . 1
C C12 0.7056(3) 0.5027(3) 0.7317(3) 0.0222(7) Uani d . . 1
C C13 0.5885(3) 0.4170(3) 0.7263(3) 0.0225(7) Uani d . . 1
H H13 0.5125 0.4518 0.7287 0.027 Uiso calc U R 1
C C14 0.5760(3) 0.2824(3) 0.7175(3) 0.0213(6) Uani d . . 1
C C15 0.6920(3) 0.2419(3) 0.7344(3) 0.0220(6) Uani d . . 1
H H15 0.6892 0.1567 0.746 0.026 Uiso calc U R 1
C C16 0.8133(3) 0.3211(3) 0.7349(3) 0.0218(6) Uani d . . 1
C C17 0.7127(3) 0.6519(3) 0.7870(3) 0.0271(7) Uani d . . 1
C C18 0.6810(4) 0.6564(4) 0.9059(3) 0.0337(8) Uani d . . 1
H H18A 0.7428 0.6183 0.9467 0.05 Uiso calc U R 1
H H18B 0.5921 0.6052 0.8984 0.05 Uiso calc U R 1
H H18C 0.6881 0.7485 0.9479 0.05 Uiso calc U R 1
C C19 0.6114(4) 0.7084(4) 0.7248(3) 0.0336(8) Uani d . . 1
H H19A 0.6135 0.7984 0.7691 0.05 Uiso calc U R 1
H H19B 0.5244 0.6522 0.7154 0.05 Uiso calc U R 1
H H19C 0.6317 0.7106 0.6504 0.05 Uiso calc U R 1
C C20 0.8483(3) 0.7398(4) 0.8065(3) 0.0320(8) Uani d . . 1
H H20A 0.869 0.7501 0.734 0.048 Uiso calc U R 1
H H20B 0.9123 0.6991 0.8415 0.048 Uiso calc U R 1
H H20C 0.851 0.8269 0.8567 0.048 Uiso calc U R 1
C C21 0.4422(3) 0.1894(3) 0.6968(3) 0.0256(7) Uani d . . 1
C C22 0.3578(3) 0.2477(4) 0.7781(3) 0.0321(8) Uani d . . 1
H H22A 0.4025 0.2644 0.8563 0.048 Uiso calc U R 1
H H22B 0.2738 0.1849 0.7653 0.048 Uiso calc U R 1
H H22C 0.3432 0.3311 0.7645 0.048 Uiso calc U R 1
C C23 0.4517(4) 0.0535(4) 0.7133(4) 0.0363(9) Uani d . . 1
H H23A 0.4967 0.0094 0.6566 0.054 Uiso calc U R 1
H H23B 0.3638 -0.0006 0.7046 0.054 Uiso calc U R 1
H H23C 0.5005 0.0649 0.7892 0.054 Uiso calc U R 1
C C24 0.3755(4) 0.1714(4) 0.5745(3) 0.0414(9) Uani d . . 1
H H24A 0.3683 0.258 0.5636 0.062 Uiso calc U R 1
H H24B 0.2882 0.1138 0.5597 0.062 Uiso calc U R 1
H H24C 0.4274 0.131 0.5221 0.062 Uiso calc U R 1
C C25 0.9338(3) 0.2676(4) 0.7695(3) 0.0276(7) Uani d . . 1
C C26 0.9114(4) 0.2040(5) 0.8662(4) 0.0415(10) Uani d . . 1
H H26A 0.9925 0.1832 0.897 0.062 Uiso calc U R 1
H H26B 0.8431 0.1224 0.8374 0.062 Uiso calc U R 1
H H26C 0.8845 0.2659 0.926 0.062 Uiso calc U R 1
C C27 0.9597(4) 0.1618(4) 0.6718(3) 0.0348(8) Uani d . . 1
H H27A 0.9862 0.2028 0.6132 0.052 Uiso calc U R 1
H H27B 0.88 0.0923 0.6396 0.052 Uiso calc U R 1
H H27C 1.0293 0.1229 0.7004 0.052 Uiso calc U R 1
C C28 1.0529(3) 0.3819(4) 0.8195(3) 0.0306(8) Uani d . . 1
H H28A 1.129 0.3468 0.8397 0.046 Uiso calc U R 1
H H28B 1.0367 0.4413 0.8872 0.046 Uiso calc U R 1
H H28C 1.0695 0.4311 0.7635 0.046 Uiso calc U R 1
C C31 0.8283(3) 0.3090(3) 0.2556(3) 0.0224(7) Uani d . . 1
C C32 0.7378(3) 0.3246(3) 0.1703(3) 0.0228(7) Uani d . . 1
F F32 0.69822(18) 0.43862(19) 0.17770(16) 0.0291(4) Uani d . . 1
C C33 0.6796(3) 0.2258(4) 0.0706(3) 0.0294(7) Uani d . . 1
F F33 0.5941(2) 0.2485(2) -0.00788(18) 0.0407(5) Uani d . . 1
C C34 0.7120(3) 0.1042(3) 0.0536(3) 0.0298(8) Uani d . . 1
F F34 0.6574(2) 0.0078(2) -0.04230(18) 0.0420(5) Uani d . . 1
C C35 0.8000(3) 0.0833(3) 0.1348(3) 0.0281(7) Uani d . . 1
F F35 0.8327(2) -0.0348(2) 0.11941(18) 0.0365(5) Uani d . . 1
C C36 0.8530(3) 0.1830(3) 0.2329(3) 0.0243(7) Uani d . . 1
F F36 0.93223(18) 0.15016(19) 0.31164(16) 0.0285(4) Uani d . . 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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_site_symmetry_3
_geom_angle
C2 B1 C31 . 116.1(3)
C2 B1 C3 . 102.1(2)
C31 B1 C3 . 110.8(3)
C2 B1 P1 2_766 110.6(2)
C31 B1 P1 2_766 110.9(2)
C3 B1 P1 2_766 105.5(2)
C2 C1 P1 . 108.2(2)
C2 C1 H1A . 110.1
P1 C1 H1A . 110.1
C2 C1 H1B . 110.1
P1 C1 H1B . 110.1
H1A C1 H1B . 108.4
C3 P1 C1 . 94.11(15)
C3 P1 C11 . 104.88(14)
C1 P1 C11 . 105.73(14)
C3 P1 B1 2_766 104.51(14)
C1 P1 B1 2_766 108.09(15)
C11 P1 B1 2_766 132.79(14)
C1 C2 B1 . 111.6(3)
C1 C2 H2A . 109.3
B1 C2 H2A . 109.3
C1 C2 H2B . 109.3
B1 C2 H2B . 109.3
H2A C2 H2B . 108.0
C4 C3 B1 . 108.4(3)
C4 C3 P1 . 111.8(2)
B1 C3 P1 . 103.4(2)
C4 C3 H3 . 111.0
B1 C3 H3 . 111.0
P1 C3 H3 . 111.0
C3 C4 H4A . 109.5
C3 C4 H4B . 109.5
H4A C4 H4B . 109.5
C3 C4 H4C . 109.5
H4A C4 H4C . 109.5
H4B C4 H4C . 109.5
C16 C11 C12 . 116.2(3)
C16 C11 P1 . 120.8(2)
C12 C11 P1 . 118.3(2)
C13 C12 C11 . 117.6(3)
C13 C12 C17 . 115.4(3)
C11 C12 C17 . 125.2(3)
C12 C13 C14 . 123.5(3)
C12 C13 H13 . 118.2
C14 C13 H13 . 118.2
C15 C14 C13 . 115.6(3)
C15 C14 C21 . 123.2(3)
C13 C14 C21 . 121.2(3)
C14 C15 C16 . 122.9(3)
C14 C15 H15 . 118.6
C16 C15 H15 . 118.6
C15 C16 C11 . 118.3(3)
C15 C16 C25 . 115.8(3)
C11 C16 C25 . 125.7(3)
C20 C17 C19 . 110.6(3)
C20 C17 C18 . 105.9(3)
C19 C17 C18 . 107.7(3)
C20 C17 C12 . 113.6(3)
C19 C17 C12 . 113.7(3)
C18 C17 C12 . 104.5(3)
C17 C18 H18A . 109.5
C17 C18 H18B . 109.5
H18A C18 H18B . 109.5
C17 C18 H18C . 109.5
H18A C18 H18C . 109.5
H18B C18 H18C . 109.5
C17 C19 H19A . 109.5
C17 C19 H19B . 109.5
H19A C19 H19B . 109.5
C17 C19 H19C . 109.5
H19A C19 H19C . 109.5
H19B C19 H19C . 109.5
C17 C20 H20A . 109.5
C17 C20 H20B . 109.5
H20A C20 H20B . 109.5
C17 C20 H20C . 109.5
H20A C20 H20C . 109.5
H20B C20 H20C . 109.5
C14 C21 C23 . 112.2(3)
C14 C21 C22 . 110.9(3)
C23 C21 C22 . 107.5(3)
C14 C21 C24 . 107.9(3)
C23 C21 C24 . 109.1(3)
C22 C21 C24 . 109.2(3)
C21 C22 H22A . 109.5
C21 C22 H22B . 109.5
H22A C22 H22B . 109.5
C21 C22 H22C . 109.5
H22A C22 H22C . 109.5
H22B C22 H22C . 109.5
C21 C23 H23A . 109.5
C21 C23 H23B . 109.5
H23A C23 H23B . 109.5
C21 C23 H23C . 109.5
H23A C23 H23C . 109.5
H23B C23 H23C . 109.5
C21 C24 H24A . 109.5
C21 C24 H24B . 109.5
H24A C24 H24B . 109.5
C21 C24 H24C . 109.5
H24A C24 H24C . 109.5
H24B C24 H24C . 109.5
C28 C25 C26 . 105.0(3)
C28 C25 C27 . 111.8(3)
C26 C25 C27 . 107.8(3)
C28 C25 C16 . 110.2(3)
C26 C25 C16 . 109.1(3)
C27 C25 C16 . 112.7(3)
C25 C26 H26A . 109.5
C25 C26 H26B . 109.5
H26A C26 H26B . 109.5
C25 C26 H26C . 109.5
H26A C26 H26C . 109.5
H26B C26 H26C . 109.5
C25 C27 H27A . 109.5
C25 C27 H27B . 109.5
H27A C27 H27B . 109.5
C25 C27 H27C . 109.5
H27A C27 H27C . 109.5
H27B C27 H27C . 109.5
C25 C28 H28A . 109.5
C25 C28 H28B . 109.5
H28A C28 H28B . 109.5
C25 C28 H28C . 109.5
H28A C28 H28C . 109.5
H28B C28 H28C . 109.5
C36 C31 C32 . 113.0(3)
C36 C31 B1 . 123.0(3)
C32 C31 B1 . 123.6(3)
F32 C32 C31 . 122.1(3)
F32 C32 C33 . 113.7(3)
C31 C32 C33 . 124.2(3)
F33 C33 C34 . 120.2(3)
F33 C33 C32 . 120.7(3)
C34 C33 C32 . 119.0(3)
F34 C34 C35 . 120.8(3)
F34 C34 C33 . 120.0(3)
C35 C34 C33 . 119.2(3)
F35 C35 C34 . 119.9(3)
F35 C35 C36 . 120.5(3)
C34 C35 C36 . 119.6(3)
F36 C36 C35 . 115.3(3)
F36 C36 C31 . 119.8(3)
C35 C36 C31 . 124.8(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
B1 C2 . 1.635(5)
B1 C31 . 1.649(5)
B1 C3 . 1.667(5)
B1 P1 2_766 2.080(3)
C1 C2 . 1.555(4)
C1 P1 . 1.848(3)
C1 H1A . 0.99
C1 H1B . 0.99
P1 C3 . 1.829(3)
P1 C11 . 1.885(3)
P1 B1 2_766 2.080(3)
C2 H2A . 0.99
C2 H2B . 0.99
C3 C4 . 1.551(4)
C3 H3 . 1.0
C4 H4A . 0.98
C4 H4B . 0.98
C4 H4C . 0.98
C11 C16 . 1.421(5)
C11 C12 . 1.442(4)
C12 C13 . 1.384(4)
C12 C17 . 1.558(5)
C13 C14 . 1.395(5)
C13 H13 . 0.95
C14 C15 . 1.386(4)
C14 C21 . 1.526(4)
C15 C16 . 1.403(4)
C15 H15 . 0.95
C16 C25 . 1.546(4)
C17 C20 . 1.520(5)
C17 C19 . 1.536(5)
C17 C18 . 1.547(5)
C18 H18A . 0.98
C18 H18B . 0.98
C18 H18C . 0.98
C19 H19A . 0.98
C19 H19B . 0.98
C19 H19C . 0.98
C20 H20A . 0.98
C20 H20B . 0.98
C20 H20C . 0.98
C21 C23 . 1.531(5)
C21 C22 . 1.535(5)
C21 C24 . 1.536(5)
C22 H22A . 0.98
C22 H22B . 0.98
C22 H22C . 0.98
C23 H23A . 0.98
C23 H23B . 0.98
C23 H23C . 0.98
C24 H24A . 0.98
C24 H24B . 0.98
C24 H24C . 0.98
C25 C28 . 1.527(5)
C25 C26 . 1.537(5)
C25 C27 . 1.538(5)
C26 H26A . 0.98
C26 H26B . 0.98
C26 H26C . 0.98
C27 H27A . 0.98
C27 H27B . 0.98
C27 H27C . 0.98
C28 H28A . 0.98
C28 H28B . 0.98
C28 H28C . 0.98
C31 C36 . 1.388(5)
C31 C32 . 1.393(5)
C32 F32 . 1.346(4)
C32 C33 . 1.397(5)
C33 F33 . 1.336(4)
C33 C34 . 1.380(5)
C34 F34 . 1.348(4)
C34 C35 . 1.368(5)
C35 F35 . 1.346(4)
C35 C36 . 1.380(5)
C36 F36 . 1.356(4)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C2 C1 P1 C3 . . -22.3(2)
C2 C1 P1 C11 . . -129.0(2)
C2 C1 P1 B1 . 2_766 84.5(2)
P1 C1 C2 B1 . . -3.6(3)
C31 B1 C2 C1 . . 151.7(3)
C3 B1 C2 C1 . . 31.1(3)
P1 B1 C2 C1 2_766 . -80.8(3)
C2 B1 C3 C4 . . 73.7(3)
C31 B1 C3 C4 . . -50.6(3)
P1 B1 C3 C4 2_766 . -170.6(2)
C2 B1 C3 P1 . . -45.2(3)
C31 B1 C3 P1 . . -169.4(2)
P1 B1 C3 P1 2_766 . 70.5(2)
C1 P1 C3 C4 . . -76.3(3)
C11 P1 C3 C4 . . 31.2(3)
B1 P1 C3 C4 2_766 . 173.8(2)
C1 P1 C3 B1 . . 40.1(2)
C11 P1 C3 B1 . . 147.57(19)
B1 P1 C3 B1 2_766 . -69.8(2)
C3 P1 C11 C16 . . 46.8(3)
C1 P1 C11 C16 . . 145.5(3)
B1 P1 C11 C16 2_766 . -80.1(3)
C3 P1 C11 C12 . . -108.2(3)
C1 P1 C11 C12 . . -9.5(3)
B1 P1 C11 C12 2_766 . 125.0(3)
C16 C11 C12 C13 . . -25.1(4)
P1 C11 C12 C13 . . 131.0(3)
C16 C11 C12 C17 . . 139.0(3)
P1 C11 C12 C17 . . -64.9(4)
C11 C12 C13 C14 . . 8.5(5)
C17 C12 C13 C14 . . -157.1(3)
C12 C13 C14 C15 . . 10.9(5)
C12 C13 C14 C21 . . -172.1(3)
C13 C14 C15 C16 . . -13.9(5)
C21 C14 C15 C16 . . 169.2(3)
C14 C15 C16 C11 . . -2.9(5)
C14 C15 C16 C25 . . 172.7(3)
C12 C11 C16 C15 . . 22.4(4)
P1 C11 C16 C15 . . -133.0(3)
C12 C11 C16 C25 . . -152.7(3)
P1 C11 C16 C25 . . 51.8(4)
C13 C12 C17 C20 . . 171.7(3)
C11 C12 C17 C20 . . 7.3(5)
C13 C12 C17 C19 . . -60.5(4)
C11 C12 C17 C19 . . 135.1(3)
C13 C12 C17 C18 . . 56.7(4)
C11 C12 C17 C18 . . -107.7(3)
C15 C14 C21 C23 . . 8.1(4)
C13 C14 C21 C23 . . -168.7(3)
C15 C14 C21 C22 . . 128.3(3)
C13 C14 C21 C22 . . -48.5(4)
C15 C14 C21 C24 . . -112.1(4)
C13 C14 C21 C24 . . 71.1(4)
C15 C16 C25 C28 . . -153.6(3)
C11 C16 C25 C28 . . 21.6(4)
C15 C16 C25 C26 . . -38.9(4)
C11 C16 C25 C26 . . 136.4(3)
C15 C16 C25 C27 . . 80.8(4)
C11 C16 C25 C27 . . -104.0(4)
C2 B1 C31 C36 . . -157.7(3)
C3 B1 C31 C36 . . -41.9(4)
P1 B1 C31 C36 2_766 . 74.9(3)
C2 B1 C31 C32 . . 14.7(4)
C3 B1 C31 C32 . . 130.5(3)
P1 B1 C31 C32 2_766 . -112.7(3)
C36 C31 C32 F32 . . 178.2(3)
B1 C31 C32 F32 . . 5.1(4)
C36 C31 C32 C33 . . -1.5(4)
B1 C31 C32 C33 . . -174.6(3)
F32 C32 C33 F33 . . 0.7(4)
C31 C32 C33 F33 . . -179.6(3)
F32 C32 C33 C34 . . -179.7(3)
C31 C32 C33 C34 . . 0.1(5)
F33 C33 C34 F34 . . 0.0(5)
C32 C33 C34 F34 . . -179.7(3)
F33 C33 C34 C35 . . 179.8(3)
C32 C33 C34 C35 . . 0.1(5)
F34 C34 C35 F35 . . -0.1(5)
C33 C34 C35 F35 . . -179.9(3)
F34 C34 C35 C36 . . -179.0(3)
C33 C34 C35 C36 . . 1.2(5)
F35 C35 C36 F36 . . -3.2(4)
C34 C35 C36 F36 . . 175.6(3)
F35 C35 C36 C31 . . 178.2(3)
C34 C35 C36 C31 . . -2.9(5)
C32 C31 C36 F36 . . -175.6(3)
B1 C31 C36 F36 . . -2.4(4)
C32 C31 C36 C35 . . 2.9(4)
B1 C31 C36 C35 . . 176.1(3)
