#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:14:08 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289556 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/45/7714584.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_7714584
loop_
_publ_author_name
'Yeganeh-Salman, Amir'
'Yeung, Jason'
'Miao, Linkun'
'Stephan, Douglas W.'
_publ_section_title
;
 Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1178
_journal_page_last               1189
_journal_paper_doi               10.1039/d3dt03660j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C27 H17 B F10 N2'
_chemical_formula_sum            'C27 H17 B F10 N2'
_chemical_formula_weight         570.258
_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_Int_Tables_number      2
_audit_creation_date             2023-09-21
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-11-27 deposited with the CCDC.	2023-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                115.932(5)
_cell_angle_beta                 104.289(5)
_cell_angle_gamma                98.930(6)
_cell_formula_units_Z            2
_cell_length_a                   10.5293(14)
_cell_length_b                   11.4040(15)
_cell_length_c                   12.0299(14)
_cell_measurement_reflns_used    4534
_cell_measurement_temperature    150.01
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.33
_cell_volume                     1200.1(3)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.01
_diffrn_measured_fraction_theta_full 0.9991
_diffrn_measured_fraction_theta_max 0.9991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 0.9991
_diffrn_reflns_Laue_measured_fraction_max 0.9991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21382
_diffrn_reflns_point_group_measured_fraction_full 0.9991
_diffrn_reflns_point_group_measured_fraction_max 0.9991
_diffrn_reflns_theta_full        24.9978
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       block
_exptl_crystal_F_000             576.574
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.3972
_refine_diff_density_min         -0.3193
_refine_diff_density_rms         0.0825
_refine_ls_d_res_high            0.8409
_refine_ls_d_res_low             10.1172
_refine_ls_goodness_of_fit_ref   1.0780
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    30
_refine_ls_number_parameters     363
_refine_ls_number_reflns         4239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0780
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          -0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0389P)²+0.4191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              11
_reflns_limit_k_min              -13
_reflns_limit_l_max              14
_reflns_limit_l_min              0
_reflns_number_gt                2989
_reflns_number_total             4239
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d3dt03660j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7714584--7714593.cif.'
_cod_database_code               7714584
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C37(H37), C39(H39)
2.b Idealised Me refined as rotating group:
 C35(H35a,H35b,H35c), C40(H40a,H40b,H40c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
F1 F 0.13497(14) 0.70867(13) 0.01017(12) 0.0315(3) Uani 1.000000 .
F2 F 0.11967(14) 1.11878(14) -0.10028(13) 0.0341(4) Uani 1.000000 .
F3 F 0.31630(14) 1.16592(14) 0.11143(13) 0.0333(4) Uani 1.000000 .
F4 F 0.37023(15) 1.18630(14) 0.47610(13) 0.0355(4) Uani 1.000000 .
F5 F -0.08103(14) 0.87360(14) -0.25337(12) 0.0314(4) Uani 1.000000 .
F6 F 0.57264(14) 1.07860(14) 0.14624(12) 0.0339(4) Uani 1.000000 .
F7 F -0.06912(15) 0.67092(14) -0.19450(13) 0.0373(4) Uani 1.000000 .
F8 F 0.74016(15) 1.33362(15) 0.28149(14) 0.0429(4) Uani 1.000000 .
F9 F 0.54031(16) 1.43637(15) 0.60903(13) 0.0431(4) Uani 1.000000 .
N10 N 0.44647(18) 0.85939(18) 0.16492(16) 0.0187(4) Uani 1.000000 .
F11 F 0.72285(15) 1.51761(14) 0.51281(14) 0.0442(4) Uani 1.000000 .
C12 C 0.2402(2) 0.9397(2) 0.0749(2) 0.0183(5) Uani 1.000000 .
C13 C 0.4615(2) 1.1157(2) 0.3019(2) 0.0206(5) Uani 1.000000 .
N14 N 0.6998(2) 0.6117(2) 0.06697(18) 0.0268(5) Uani 1.000000 .
C15 C 0.0299(2) 0.7921(2) -0.1196(2) 0.0232(5) Uani 1.000000 .
C16 C 0.1245(2) 1.0172(2) -0.0720(2) 0.0228(5) Uani 1.000000 .
C17 C 0.0243(2) 0.8938(2) -0.1505(2) 0.0220(5) Uani 1.000000 .
C18 C 0.6185(2) 0.6921(2) 0.0987(2) 0.0206(5) Uani 1.000000 .
C19 C 0.6399(3) 1.3880(2) 0.4454(2) 0.0299(6) Uani 1.000000 .
C20 C 0.2269(2) 1.0378(2) 0.0372(2) 0.0204(5) Uani 1.000000 .
C21 C 0.1357(2) 0.8830(2) 0.4712(2) 0.0253(6) Uani 1.000000 .
H21 H 0.1669(2) 0.9753(2) 0.4917(2) 0.0304(7) Uiso 1.000000 R
C22 C 0.4606(2) 1.2145(2) 0.4213(2) 0.0233(5) Uani 1.000000 .
C23 C 0.5616(2) 1.1636(2) 0.2627(2) 0.0236(5) Uani 1.000000 .
C24 C 0.2651(2) 0.8164(2) 0.3158(2) 0.0206(5) Uani 1.000000 .
H24 H 0.3234(2) 0.7615(2) 0.2913(2) 0.0247(6) Uiso 1.000000 R
C25 C 0.5452(2) 0.8559(2) 0.2588(2) 0.0225(5) Uani 1.000000 .
H25 H 0.5560(2) 0.9117(2) 0.3487(2) 0.0270(6) Uiso 1.000000 R
C26 C 0.1354(2) 0.8162(2) -0.0109(2) 0.0211(5) Uani 1.000000 .
C27 C 0.1776(2) 0.7836(2) 0.3825(2) 0.0190(5) Uani 1.000000 .
B28 B 0.3543(3) 0.9594(3) 0.2094(2) 0.0194(6) Uani 1.000000 .
C29 C 0.5159(2) 0.6976(2) 0.0024(2) 0.0209(5) Uani 1.000000 .
H29 H 0.5026(2) 0.6436(2) -0.0884(2) 0.0250(6) Uiso 1.000000 R
C30 C 0.1316(2) 0.6503(2) 0.3574(2) 0.0215(5) Uani 1.000000 .
H30 H 0.1607(2) 0.5811(2) 0.2993(2) 0.0258(6) Uiso 1.000000 R
C31 C 0.2698(2) 0.9165(2) 0.2866(2) 0.0213(5) Uani 1.000000 .
H31 H 0.2134(2) 0.9718(2) 0.3166(2) 0.0255(6) Uiso 1.000000 R
C32 C 0.6298(2) 0.7767(2) 0.2314(2) 0.0236(5) Uani 1.000000 .
H32 H 0.6969(2) 0.7780(2) 0.3015(2) 0.0284(7) Uiso 1.000000 R
C33 C 0.0445(2) 0.6161(2) 0.4150(2) 0.0269(6) Uani 1.000000 .
H33 H 0.0131(2) 0.5240(2) 0.3950(2) 0.0323(7) Uiso 1.000000 R
C34 C 0.4354(2) 0.7798(2) 0.0383(2) 0.0219(5) Uani 1.000000 .
H34 H 0.3676(2) 0.7812(2) -0.0294(2) 0.0263(6) Uiso 1.000000 R
C35 C 0.6949(3) 0.5373(3) -0.0687(2) 0.0319(6) Uani 1.000000 .
H35a H 0.6024(5) 0.4737(12) -0.1257(3) 0.0478(9) Uiso 1.000000 GR
H35b H 0.7174(16) 0.6022(3) -0.0991(6) 0.0478(9) Uiso 1.000000 GR
H35c H 0.7617(12) 0.4859(13) -0.0728(3) 0.0478(9) Uiso 1.000000 GR
C36 C 0.5467(3) 1.3472(2) 0.4921(2) 0.0282(6) Uani 1.000000 .
C37 C 0.0494(3) 0.8495(3) 0.5299(2) 0.0310(6) Uani 1.000000 .
H37 H 0.0219(3) 0.9186(3) 0.5898(2) 0.0372(7) Uiso 1.000000 R
C38 C 0.6486(2) 1.2951(3) 0.3297(2) 0.0290(6) Uani 1.000000 .
C39 C 0.0030(3) 0.7151(3) 0.5013(2) 0.0294(6) Uani 1.000000 .
H39 H -0.0568(3) 0.6918(3) 0.5410(2) 0.0352(7) Uiso 1.000000 R
C40 C 0.8070(3) 0.6108(3) 0.1691(3) 0.0441(8) Uani 1.000000 .
H40a H 0.8766(10) 0.7008(6) 0.2223(11) 0.0662(12) Uiso 1.000000 GR
H40b H 0.7668(4) 0.5898(18) 0.2260(11) 0.0662(12) Uiso 1.000000 GR
H40c H 0.8500(13) 0.5411(13) 0.1278(3) 0.0662(12) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
B 0.00156 0.00068 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.19320 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
F 0.01756 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.27760 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
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
B28 N10 C25 119.13(17) . . ?
C34 N10 C25 116.43(19) . . ?
C34 N10 B28 124.41(18) . . ?
C26 C12 C20 111.9(2) . . ?
B28 C12 C20 127.7(2) . . ?
B28 C12 C26 120.25(19) . . ?
C23 C13 C22 112.6(2) . . ?
B28 C13 C22 125.7(2) . . ?
B28 C13 C23 121.63(19) . . ?
C35 N14 C18 120.83(19) . . ?
C40 N14 C18 120.94(19) . . ?
C40 N14 C35 117.74(19) . . ?
C17 C15 F7 119.6(2) . . ?
C26 C15 F7 120.9(2) . . ?
C26 C15 C17 119.5(2) . . ?
C17 C16 F2 119.5(2) . . ?
C20 C16 F2 120.7(2) . . ?
C20 C16 C17 119.8(2) . . ?
C15 C17 F5 120.2(2) . . ?
C16 C17 F5 121.0(2) . . ?
C16 C17 C15 118.8(2) . . ?
C29 C18 N14 122.3(2) . . ?
C32 C18 N14 122.4(2) . . ?
C32 C18 C29 115.3(2) . . ?
C36 C19 F11 120.3(2) . . ?
C38 C19 F11 120.6(2) . . ?
C38 C19 C36 119.1(2) . . ?
C12 C20 F3 120.43(19) . . ?
C16 C20 F3 114.65(19) . . ?
C16 C20 C12 124.9(2) . . ?
C27 C21 H21 119.41(13) . . ?
C37 C21 H21 119.41(14) . . ?
C37 C21 C27 121.2(2) . . ?
C13 C22 F4 121.2(2) . . ?
C36 C22 F4 114.68(19) . . ?
C36 C22 C13 124.1(2) . . ?
C13 C23 F6 119.0(2) . . ?
C38 C23 F6 115.8(2) . . ?
C38 C23 C13 125.1(2) . . ?
C27 C24 H24 117.22(12) . . ?
C31 C24 H24 117.22(14) . . ?
C31 C24 C27 125.6(2) . . ?
H25 C25 N10 118.23(12) . . ?
C32 C25 N10 123.5(2) . . ?
C32 C25 H25 118.23(13) . . ?
C12 C26 F1 119.40(19) . . ?
C15 C26 F1 115.5(2) . . ?
C15 C26 C12 125.1(2) . . ?
C24 C27 C21 121.9(2) . . ?
C30 C27 C21 117.5(2) . . ?
C30 C27 C24 120.5(2) . . ?
C12 B28 N10 108.61(17) . . ?
C13 B28 N10 106.32(18) . . ?
C13 B28 C12 112.28(18) . . ?
C31 B28 N10 109.86(18) . . ?
C31 B28 C12 107.11(18) . . ?
C31 B28 C13 112.61(18) . . ?
H29 C29 C18 119.72(13) . . ?
C34 C29 C18 120.6(2) . . ?
C34 C29 H29 119.72(13) . . ?
H30 C30 C27 119.27(13) . . ?
C33 C30 C27 121.5(2) . . ?
C33 C30 H30 119.27(14) . . ?
B28 C31 C24 130.9(2) . . ?
H31 C31 C24 114.55(14) . . ?
H31 C31 B28 114.55(12) . . ?
C25 C32 C18 120.4(2) . . ?
H32 C32 C18 119.78(13) . . ?
H32 C32 C25 119.78(13) . . ?
H33 C33 C30 119.88(14) . . ?
C39 C33 C30 120.2(2) . . ?
C39 C33 H33 119.88(14) . . ?
C29 C34 N10 123.8(2) . . ?
H34 C34 N10 118.12(13) . . ?
H34 C34 C29 118.12(13) . . ?
H35a C35 N14 109.5 . . ?
H35b C35 N14 109.5 . . ?
H35b C35 H35a 109.5 . . ?
H35c C35 N14 109.5 . . ?
H35c C35 H35a 109.5 . . ?
H35c C35 H35b 109.5 . . ?
C19 C36 F9 119.9(2) . . ?
C22 C36 F9 120.2(2) . . ?
C22 C36 C19 119.9(2) . . ?
H37 C37 C21 119.91(14) . . ?
C39 C37 C21 120.2(2) . . ?
C39 C37 H37 119.91(14) . . ?
C19 C38 F8 120.0(2) . . ?
C23 C38 F8 120.9(2) . . ?
C23 C38 C19 119.1(2) . . ?
C37 C39 C33 119.4(2) . . ?
H39 C39 C33 120.31(14) . . ?
H39 C39 C37 120.31(14) . . ?
H40a C40 N14 109.5 . . ?
H40b C40 N14 109.5 . . ?
H40b C40 H40a 109.5 . . ?
H40c C40 N14 109.5 . . ?
H40c C40 H40a 109.5 . . ?
H40c C40 H40b 109.5 . . ?
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
F1 C26 1.356(2) . ?
F2 C16 1.347(3) . ?
F3 C20 1.355(3) . ?
F4 C22 1.358(3) . ?
F5 C17 1.344(2) . ?
F6 C23 1.358(2) . ?
F7 C15 1.345(3) . ?
F8 C38 1.351(3) . ?
F9 C36 1.354(3) . ?
N10 C25 1.353(3) . ?
N10 B28 1.612(3) . ?
N10 C34 1.352(3) . ?
F11 C19 1.344(3) . ?
C12 C20 1.392(3) . ?
C12 C26 1.396(3) . ?
C12 B28 1.658(3) . ?
C13 C22 1.388(3) . ?
C13 C23 1.386(3) . ?
C13 B28 1.646(3) . ?
N14 C18 1.348(3) . ?
N14 C35 1.457(3) . ?
N14 C40 1.454(3) . ?
C15 C17 1.369(3) . ?
C15 C26 1.376(3) . ?
C16 C17 1.367(3) . ?
C16 C20 1.377(3) . ?
C18 C29 1.407(3) . ?
C18 C32 1.420(3) . ?
C19 C36 1.362(3) . ?
C19 C38 1.368(3) . ?
C21 H21 0.9500 . ?
C21 C27 1.396(3) . ?
C21 C37 1.383(3) . ?
C22 C36 1.379(3) . ?
C23 C38 1.374(3) . ?
C24 H24 0.9500 . ?
C24 C27 1.468(3) . ?
C24 C31 1.330(3) . ?
C25 H25 0.9500 . ?
C25 C32 1.361(3) . ?
C27 C30 1.391(3) . ?
B28 C31 1.601(3) . ?
C29 H29 0.9500 . ?
C29 C34 1.362(3) . ?
C30 H30 0.9500 . ?
C30 C33 1.384(3) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C39 1.376(3) . ?
C34 H34 0.9500 . ?
C35 H35a 0.9800 . ?
C35 H35b 0.9800 . ?
C35 H35c 0.9800 . ?
C37 H37 0.9500 . ?
C37 C39 1.389(3) . ?
C39 H39 0.9500 . ?
C40 H40a 0.9800 . ?
C40 H40b 0.9800 . ?
C40 H40c 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F1 C26 C12 C20 178.53(19) . . . . ?
F1 C26 C12 B28 -6.0(2) . . . . ?
F1 C26 C15 F7 3.0(2) . . . . ?
F1 C26 C15 C17 -178.22(18) . . . . ?
F2 C16 C17 F5 -1.9(2) . . . . ?
F2 C16 C17 C15 -179.31(19) . . . . ?
F2 C16 C20 F3 1.4(2) . . . . ?
F2 C16 C20 C12 179.71(18) . . . . ?
F3 C20 C12 C26 177.50(19) . . . . ?
F3 C20 C12 B28 2.4(3) . . . . ?
F3 C20 C16 C17 -176.73(18) . . . . ?
F4 C22 C13 C23 -179.6(2) . . . . ?
F4 C22 C13 B28 2.9(3) . . . . ?
F4 C22 C36 F9 2.4(2) . . . . ?
F4 C22 C36 C19 -178.73(19) . . . . ?
F5 C17 C15 F7 1.4(2) . . . . ?
F5 C17 C15 C26 -177.38(19) . . . . ?
F5 C17 C16 C20 176.23(19) . . . . ?
F6 C23 C13 C22 -178.8(2) . . . . ?
F6 C23 C13 B28 -1.1(3) . . . . ?
F6 C23 C38 F8 -1.2(2) . . . . ?
F6 C23 C38 C19 177.6(2) . . . . ?
F7 C15 C17 C16 178.85(19) . . . . ?
F7 C15 C26 C12 -177.96(19) . . . . ?
F8 C38 C19 F11 -0.7(3) . . . . ?
F8 C38 C19 C36 179.8(2) . . . . ?
F8 C38 C23 C13 -177.8(2) . . . . ?
F9 C36 C19 F11 -2.0(3) . . . . ?
F9 C36 C19 C38 177.4(2) . . . . ?
F9 C36 C22 C13 -178.91(19) . . . . ?
N10 C25 C32 C18 0.4(3) . . . . ?
N10 B28 C12 C20 -118.39(18) . . . . ?
N10 B28 C12 C26 66.9(2) . . . . ?
N10 B28 C13 C22 -135.00(17) . . . . ?
N10 B28 C13 C23 47.7(2) . . . . ?
N10 B28 C31 C24 -0.5(3) . . . . ?
N10 C34 C29 C18 -0.4(3) . . . . ?
F11 C19 C36 C22 179.1(2) . . . . ?
F11 C19 C38 C23 -179.6(2) . . . . ?
C12 C20 C16 C17 1.6(3) . . . . ?
C12 C26 C15 C17 0.8(3) . . . . ?
C12 B28 C13 C22 106.4(2) . . . . ?
C12 B28 C13 C23 -71.0(2) . . . . ?
C12 B28 C31 C24 117.3(2) . . . . ?
C13 C22 C36 C19 -0.0(3) . . . . ?
C13 C23 C38 C19 1.0(3) . . . . ?
C13 B28 C31 C24 -118.8(2) . . . . ?
N14 C18 C29 C34 179.7(2) . . . . ?
N14 C18 C32 C25 -179.7(2) . . . . ?
C15 C17 C16 C20 -1.2(2) . . . . ?
C21 C27 C24 C31 -28.4(3) . . . . ?
C21 C27 C30 C33 1.7(2) . . . . ?
C21 C37 C39 C33 0.5(3) . . . . ?
C24 C27 C30 C33 -177.3(2) . . . . ?
C27 C30 C33 C39 -1.2(3) . . . . ?
C30 C33 C39 C37 0.0(3) . . . . ?
