#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:30:07 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260784 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/36/7703694.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_7703694
loop_
_publ_author_name
'Bentley, Jordan N.'
'Pradhan, Ekadashi'
'Zeng, Tao'
'Caputo, Christopher B.'
_publ_section_title
;
 Bis(pentafluorophenyl)phenothiazylborane - an intramolecular frustrated
 Lewis pair catalyst for stannane dehydrocoupling.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16054
_journal_page_last               16058
_journal_paper_doi               10.1039/d0dt00506a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C24 H8 B F10 N S'
_chemical_formula_sum            'C24 H8 B F10 N S'
_chemical_formula_weight         543.18
_chemical_name_systematic        JNB017
_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   difmap
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-01-27
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2020-01-28 deposited with the CCDC.	2020-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                99.0980(10)
_cell_angle_beta                 107.0960(10)
_cell_angle_gamma                98.3520(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7033(4)
_cell_length_b                   10.0984(4)
_cell_length_c                   11.5708(4)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      46.518
_cell_measurement_theta_min      2.740
_cell_volume                     1047.75(7)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      173.0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Quest ECO'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1800
_diffrn_reflns_av_unetI/netI     0.0829
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            125982
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         46.671
_diffrn_reflns_theta_min         2.735
_exptl_absorpt_coefficient_mu    0.258
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         18699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.1575
_refine_ls_R_factor_gt           0.0970
_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)+(0.0779P)²+0.9230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2010
_refine_ls_wR_factor_ref         0.2497
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11459
_reflns_number_total             18699
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00506a2.cif
_cod_data_source_block           jnb017_0ma_a
_cod_depositor_comments          'Adding full bibliography for 7703694.cif.'
_cod_database_code               7703694
_shelx_shelxl_version_number     2018/3
_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   0.950
_shelx_estimated_absorpt_t_min   0.904
_olex2_refinement_description
;
;
_olex2_submission_original_sample_id JNB0017
_olex2_submission_special_instructions 'No special instructions were received'
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
S001 S 0.42246(4) 1.04085(4) 0.33345(3) 0.02317(7) Uani 1 1 d . . . . .
F00A F 0.98614(16) 0.50341(16) 0.26634(15) 0.0495(4) Uani 1 1 d . . . . .
F00B F 1.14991(14) 0.70729(17) 0.46537(16) 0.0498(4) Uani 1 1 d . . . . .
F002 F 0.73475(11) 0.89821(10) 0.44795(10) 0.02688(18) Uani 1 1 d . . . . .
F003 F 0.45649(12) 0.68966(10) 0.45703(9) 0.02657(18) Uani 1 1 d . . . . .
F004 F 0.22768(14) 0.21285(10) 0.11674(10) 0.0321(2) Uani 1 1 d . . . . .
F005 F 0.16433(13) 0.24692(11) 0.33167(11) 0.0322(2) Uani 1 1 d . . . . .
F006 F 0.69867(14) 0.49643(12) 0.16122(10) 0.0327(2) Uani 1 1 d . . . . .
F007 F 0.39316(14) 0.41923(11) 0.06663(9) 0.0304(2) Uani 1 1 d . . . . .
F008 F 1.01975(12) 0.89712(12) 0.56053(11) 0.0326(2) Uani 1 1 d . . . . .
F009 F 0.28333(13) 0.48382(11) 0.50383(10) 0.0292(2) Uani 1 1 d . . . . .
N00C N 0.47296(12) 0.79270(10) 0.19222(10) 0.01642(15) Uani 1 1 d . . . . .
C00D C 0.55865(14) 0.91707(12) 0.18312(11) 0.01746(18) Uani 1 1 d . . . . .
C00E C 0.31165(15) 0.46880(13) 0.39669(12) 0.01960(19) Uani 1 1 d . . . . .
C00F C 0.43107(14) 0.56192(12) 0.26048(11) 0.01690(17) Uani 1 1 d . . . . .
C00G C 0.39962(14) 0.57317(12) 0.37067(11) 0.01762(18) Uani 1 1 d . . . . .
C00H C 0.79426(15) 0.80149(13) 0.39913(13) 0.01978(19) Uani 1 1 d . . . . .
C00I C 0.37115(16) 0.43817(13) 0.17696(12) 0.01960(19) Uani 1 1 d . . . . .
C00J C 0.65041(17) 0.91472(14) 0.11079(14) 0.0223(2) Uani 1 1 d . . . . .
C00K C 0.70722(14) 0.70070(12) 0.29660(12) 0.01798(18) Uani 1 1 d . . . . .
C00L C 0.54536(15) 1.04090(13) 0.24741(13) 0.01981(19) Uani 1 1 d . . . . .
C00M C 0.21008(16) 0.69331(14) 0.07898(13) 0.0220(2) Uani 1 1 d . . . . .
C00N C 0.28211(15) 0.90644(13) 0.23136(12) 0.01980(19) Uani 1 1 d . . . . .
C00O C 0.31941(14) 0.79589(12) 0.16648(11) 0.01749(17) Uani 1 1 d . . . . .
C00P C 0.25272(16) 0.34746(13) 0.30984(13) 0.0210(2) Uani 1 1 d . . . . .
C00Q C 0.28349(16) 0.33061(13) 0.19999(12) 0.0209(2) Uani 1 1 d . . . . .
C00R C 0.77660(17) 0.60045(15) 0.25678(13) 0.0226(2) Uani 1 1 d . . . . .
C00S C 0.94186(16) 0.80315(15) 0.45842(14) 0.0238(2) Uani 1 1 d . . . . .
C00T C 0.62970(19) 1.16343(14) 0.24333(16) 0.0263(3) Uani 1 1 d . . . . .
C00U C 0.13401(17) 0.90948(16) 0.21408(16) 0.0261(3) Uani 1 1 d . . . . .
C00V C 0.06297(17) 0.69716(17) 0.06184(17) 0.0285(3) Uani 1 1 d . . . . .
C00W C 0.02523(18) 0.80398(18) 0.13055(18) 0.0296(3) Uani 1 1 d . . . . .
C00X C 0.7351(2) 1.03696(17) 0.10727(17) 0.0290(3) Uani 1 1 d . . . . .
C00Y C 0.92418(19) 0.60125(18) 0.31105(18) 0.0299(3) Uani 1 1 d . . . . .
C00Z C 1.00710(18) 0.70372(19) 0.41223(18) 0.0300(3) Uani 1 1 d . . . . .
C010 C 0.7260(2) 1.16037(17) 0.17458(18) 0.0307(3) Uani 1 1 d . . . . .
B11 B 0.53447(16) 0.68897(14) 0.24182(13) 0.0169(2) Uani 1 1 d . . . . .
H00M H 0.240(3) 0.626(3) 0.034(2) 0.030(6) Uiso 1 1 d . . . . .
H00V H -0.017(3) 0.623(3) 0.001(3) 0.042(7) Uiso 1 1 d . . . . .
H00W H -0.077(4) 0.809(3) 0.123(3) 0.046(8) Uiso 1 1 d . . . . .
H00U H 0.110(3) 0.985(3) 0.259(2) 0.023(5) Uiso 1 1 d . . . . .
H00T H 0.618(3) 1.247(3) 0.289(2) 0.029(6) Uiso 1 1 d . . . . .
H00X H 0.803(3) 1.037(3) 0.060(3) 0.037(7) Uiso 1 1 d . . . . .
H00J H 0.657(3) 0.827(3) 0.064(2) 0.026(6) Uiso 1 1 d . . . . .
H010 H 0.784(3) 1.248(3) 0.176(3) 0.034(7) Uiso 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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C00N S001 C00L 97.61(6) . . ?
C00O N00C C00D 113.15(10) . . ?
B11 N00C C00D 123.69(11) . . ?
B11 N00C C00O 122.26(11) . . ?
C00J C00D N00C 121.24(11) . . ?
C00J C00D C00L 120.64(12) . . ?
C00L C00D N00C 118.10(11) . . ?
F009 C00E C00G 121.19(12) . . ?
F009 C00E C00P 119.85(12) . . ?
C00P C00E C00G 118.96(12) . . ?
C00G C00F B11 118.22(10) . . ?
C00I C00F C00G 116.05(11) . . ?
C00I C00F B11 125.71(11) . . ?
F003 C00G C00E 117.79(11) . . ?
F003 C00G C00F 119.25(11) . . ?
C00E C00G C00F 122.97(11) . . ?
F002 C00H C00K 119.96(12) . . ?
F002 C00H C00S 117.33(13) . . ?
C00S C00H C00K 122.63(12) . . ?
F007 C00I C00F 120.12(11) . . ?
F007 C00I C00Q 117.11(11) . . ?
C00F C00I C00Q 122.74(12) . . ?
C00D C00J C00X 119.58(13) . . ?
C00D C00J H00J 119.8(15) . . ?
C00X C00J H00J 120.6(15) . . ?
C00H C00K B11 121.68(11) . . ?
C00R C00K C00H 115.81(12) . . ?
C00R C00K B11 121.90(12) . . ?
C00D C00L S001 119.54(10) . . ?
C00D C00L C00T 119.69(13) . . ?
C00T C00L S001 120.77(11) . . ?
C00O C00M H00M 117.4(17) . . ?
C00V C00M C00O 119.49(13) . . ?
C00V C00M H00M 123.1(17) . . ?
C00O C00N S001 119.58(10) . . ?
C00U C00N S001 120.75(10) . . ?
C00U C00N C00O 119.67(13) . . ?
C00M C00O N00C 121.61(11) . . ?
C00M C00O C00N 120.45(12) . . ?
C00N C00O N00C 117.93(11) . . ?
F005 C00P C00E 119.91(12) . . ?
F005 C00P C00Q 119.99(13) . . ?
C00Q C00P C00E 120.09(12) . . ?
F004 C00Q C00I 120.81(12) . . ?
F004 C00Q C00P 120.02(12) . . ?
C00P C00Q C00I 119.17(12) . . ?
F006 C00R C00K 119.49(13) . . ?
F006 C00R C00Y 117.40(13) . . ?
C00Y C00R C00K 123.11(14) . . ?
F008 C00S C00H 120.94(14) . . ?
F008 C00S C00Z 119.81(14) . . ?
C00Z C00S C00H 119.23(14) . . ?
C00L C00T H00T 117.4(16) . . ?
C010 C00T C00L 119.53(14) . . ?
C010 C00T H00T 123.0(16) . . ?
C00N C00U H00U 118.9(15) . . ?
C00W C00U C00N 119.65(14) . . ?
C00W C00U H00U 121.5(15) . . ?
C00M C00V C00W 120.18(14) . . ?
C00M C00V H00V 120.4(17) . . ?
C00W C00V H00V 119.4(17) . . ?
C00U C00W C00V 120.41(14) . . ?
C00U C00W H00W 116.7(19) . . ?
C00V C00W H00W 122.9(19) . . ?
C00J C00X H00X 120.5(17) . . ?
C010 C00X C00J 119.97(14) . . ?
C010 C00X H00X 119.5(17) . . ?
F00A C00Y C00R 120.41(17) . . ?
F00A C00Y C00Z 120.33(15) . . ?
C00Z C00Y C00R 119.26(14) . . ?
F00B C00Z C00S 119.80(17) . . ?
F00B C00Z C00Y 120.32(16) . . ?
C00S C00Z C00Y 119.89(14) . . ?
C00T C010 H010 116.4(15) . . ?
C00X C010 C00T 120.50(14) . . ?
C00X C010 H010 123.1(16) . . ?
N00C B11 C00F 119.92(11) . . ?
N00C B11 C00K 122.29(11) . . ?
C00K B11 C00F 117.35(10) . . ?
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
S001 C00L 1.7638(14) . ?
S001 C00N 1.7614(14) . ?
F00A C00Y 1.3413(19) . ?
F00B C00Z 1.3331(19) . ?
F002 C00H 1.3370(16) . ?
F003 C00G 1.3426(15) . ?
F004 C00Q 1.3339(16) . ?
F005 C00P 1.3363(16) . ?
F006 C00R 1.3447(18) . ?
F007 C00I 1.3441(15) . ?
F008 C00S 1.3340(19) . ?
F009 C00E 1.3373(15) . ?
N00C C00D 1.4386(15) . ?
N00C C00O 1.4372(16) . ?
N00C B11 1.3976(17) . ?
C00D C00J 1.3898(18) . ?
C00D C00L 1.3940(17) . ?
C00E C00G 1.3857(18) . ?
C00E C00P 1.3812(19) . ?
C00F C00G 1.3873(17) . ?
C00F C00I 1.3821(17) . ?
C00F B11 1.5939(18) . ?
C00H C00K 1.3914(19) . ?
C00H C00S 1.391(2) . ?
C00I C00Q 1.3896(18) . ?
C00J C00X 1.393(2) . ?
C00J H00J 0.98(2) . ?
C00K C00R 1.3868(18) . ?
C00K B11 1.5872(19) . ?
C00L C00T 1.3964(19) . ?
C00M C00O 1.3933(19) . ?
C00M C00V 1.389(2) . ?
C00M H00M 0.93(3) . ?
C00N C00O 1.3975(17) . ?
C00N C00U 1.397(2) . ?
C00P C00Q 1.379(2) . ?
C00R C00Y 1.382(2) . ?
C00S C00Z 1.381(2) . ?
C00T C010 1.395(3) . ?
C00T H00T 0.96(3) . ?
C00U C00W 1.390(2) . ?
C00U H00U 0.95(2) . ?
C00V C00W 1.394(2) . ?
C00V H00V 1.00(3) . ?
C00W H00W 0.98(3) . ?
C00X C010 1.390(3) . ?
C00X H00X 0.97(3) . ?
C00Y C00Z 1.382(3) . ?
C010 H010 0.98(3) . ?
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
S001 C00L C00T C010 179.98(13) . . . . ?
S001 C00N C00O N00C 3.88(16) . . . . ?
S001 C00N C00O C00M -175.53(10) . . . . ?
S001 C00N C00U C00W 178.29(13) . . . . ?
F00A C00Y C00Z F00B 0.9(3) . . . . ?
F00A C00Y C00Z C00S -179.28(17) . . . . ?
F002 C00H C00K C00R -176.51(12) . . . . ?
F002 C00H C00K B11 -5.38(19) . . . . ?
F002 C00H C00S F008 0.6(2) . . . . ?
F002 C00H C00S C00Z 178.96(14) . . . . ?
F005 C00P C00Q F004 -1.5(2) . . . . ?
F005 C00P C00Q C00I 177.60(13) . . . . ?
F006 C00R C00Y F00A 2.0(3) . . . . ?
F006 C00R C00Y C00Z -177.78(16) . . . . ?
F007 C00I C00Q F004 1.8(2) . . . . ?
F007 C00I C00Q C00P -177.28(13) . . . . ?
F008 C00S C00Z F00B -4.2(3) . . . . ?
F008 C00S C00Z C00Y 175.95(16) . . . . ?
F009 C00E C00G F003 0.50(19) . . . . ?
F009 C00E C00G C00F -179.69(12) . . . . ?
F009 C00E C00P F005 1.9(2) . . . . ?
F009 C00E C00P C00Q -178.97(13) . . . . ?
N00C C00D C00J C00X -178.05(14) . . . . ?
N00C C00D C00L S001 -1.45(17) . . . . ?
N00C C00D C00L C00T 178.34(13) . . . . ?
C00D N00C C00O C00M 127.08(13) . . . . ?
C00D N00C C00O C00N -52.32(15) . . . . ?
C00D N00C B11 C00F 173.81(11) . . . . ?
C00D N00C B11 C00K 1.61(18) . . . . ?
C00D C00J C00X C010 -0.8(3) . . . . ?
C00D C00L C00T C010 0.2(2) . . . . ?
C00E C00P C00Q F004 179.33(13) . . . . ?
C00E C00P C00Q C00I -1.6(2) . . . . ?
C00F C00I C00Q F004 179.92(13) . . . . ?
C00F C00I C00Q C00P 0.8(2) . . . . ?
C00G C00E C00P F005 -178.16(13) . . . . ?
C00G C00E C00P C00Q 1.0(2) . . . . ?
C00G C00F C00I F007 178.51(12) . . . . ?
C00G C00F C00I C00Q 0.4(2) . . . . ?
C00G C00F B11 N00C -87.89(15) . . . . ?
C00G C00F B11 C00K 84.70(14) . . . . ?
C00H C00K C00R F006 177.44(12) . . . . ?
C00H C00K C00R C00Y -2.4(2) . . . . ?
C00H C00K B11 N00C 63.09(17) . . . . ?
C00H C00K B11 C00F -109.30(13) . . . . ?
C00H C00S C00Z F00B 177.41(16) . . . . ?
C00H C00S C00Z C00Y -2.4(3) . . . . ?
C00I C00F C00G F003 178.77(12) . . . . ?
C00I C00F C00G C00E -1.04(19) . . . . ?
C00I C00F B11 N00C 93.62(16) . . . . ?
C00I C00F B11 C00K -93.80(16) . . . . ?
C00J C00D C00L S001 177.49(11) . . . . ?
C00J C00D C00L C00T -2.7(2) . . . . ?
C00J C00X C010 C00T -1.7(3) . . . . ?
C00K C00H C00S F008 -176.30(13) . . . . ?
C00K C00H C00S C00Z 2.1(2) . . . . ?
C00K C00R C00Y F00A -178.20(16) . . . . ?
C00K C00R C00Y C00Z 2.1(3) . . . . ?
C00L S001 C00N C00O 35.66(12) . . . . ?
C00L S001 C00N C00U -144.02(13) . . . . ?
C00L C00D C00J C00X 3.0(2) . . . . ?
C00L C00T C010 C00X 2.0(3) . . . . ?
C00M C00V C00W C00U 1.9(3) . . . . ?
C00N S001 C00L C00D -36.92(12) . . . . ?
C00N S001 C00L C00T 143.28(13) . . . . ?
C00N C00U C00W C00V -1.6(3) . . . . ?
C00O N00C C00D C00J -127.94(13) . . . . ?
C00O N00C C00D C00L 50.99(15) . . . . ?
C00O N00C B11 C00F 5.46(17) . . . . ?
C00O N00C B11 C00K -166.75(11) . . . . ?
C00O C00M C00V C00W 0.9(2) . . . . ?
C00O C00N C00U C00W -1.4(2) . . . . ?
C00P C00E C00G F003 -179.49(12) . . . . ?
C00P C00E C00G C00F 0.3(2) . . . . ?
C00R C00K B11 N00C -126.32(14) . . . . ?
C00R C00K B11 C00F 61.29(16) . . . . ?
C00R C00Y C00Z F00B -179.38(17) . . . . ?
C00R C00Y C00Z C00S 0.5(3) . . . . ?
C00S C00H C00K C00R 0.30(19) . . . . ?
C00S C00H C00K B11 171.43(12) . . . . ?
C00U C00N C00O N00C -176.44(13) . . . . ?
C00U C00N C00O C00M 4.2(2) . . . . ?
C00V C00M C00O N00C 176.72(13) . . . . ?
C00V C00M C00O C00N -3.9(2) . . . . ?
B11 N00C C00D C00J 62.76(18) . . . . ?
B11 N00C C00D C00L -118.31(14) . . . . ?
B11 N00C C00O C00M -63.44(17) . . . . ?
B11 N00C C00O C00N 117.15(13) . . . . ?
B11 C00F C00G F003 0.14(18) . . . . ?
B11 C00F C00G C00E -179.68(12) . . . . ?
B11 C00F C00I F007 -3.0(2) . . . . ?
B11 C00F C00I C00Q 178.97(13) . . . . ?
B11 C00K C00R F006 6.3(2) . . . . ?
B11 C00K C00R C00Y -173.50(14) . . . . ?
