#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/99/7009969.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_7009969
loop_
_publ_author_name
'Broder, Charlotte K.'
'Goeta, Andrés E.'
'Howard, Judith A. K.'
'Hughes, Andrew K.'
'Johnson, Andrew L.'
'Malget, John M.'
'Wade, Ken'
_publ_section_title
;
 Insertion and cleavage reactions of [closo-3,1,2-Ta(NMe2)3(C2B9H11)]
 with nitriles, phenols and thiols; structural characterisation of
 N,N-dimethylamidinate ligands †
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3526
_journal_paper_doi               10.1039/b004862n
_journal_year                    2000
_chemical_formula_sum            'C31.5 H37 B9 N S4 Ta'
_chemical_formula_weight         836.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.016(3)
_cell_angle_beta                 96.548(2)
_cell_angle_gamma                102.996(2)
_cell_formula_units_Z            2
_cell_length_a                   11.236(1)
_cell_length_b                   11.950(1)
_cell_length_c                   15.081(2)
_cell_measurement_reflns_used    700
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      18.92
_cell_measurement_theta_min      10.23
_cell_volume                     1813.1(3)
_computing_cell_refinement       'SMART-NT V5.0 (Bruker, 1998a)'
_computing_data_collection       'SMART-NT V5.0 (Bruker, 1998a)'
_computing_data_reduction        'SAINT-NT V5.0 (Bruker, 1998b)'
_computing_molecular_graphics    'SHELXTL-NT V5.1 (Bruker, 1998c)'
_computing_publication_material  'SHELXTL-NT V5.1 (Bruker, 1998c)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker SMART-CCD'
_diffrn_measurement_method       ω
_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  0.0864
_diffrn_reflns_av_sigmaI/netI    0.1763
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21823
_diffrn_reflns_theta_full        30.33
_diffrn_reflns_theta_max         30.33
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.286
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SHELXTL-NT V5.1 (Bruker, 1998c)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
_exptl_crystal_F_000             830
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.390
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         9807
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0265P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                6099
_reflns_number_total             9807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b004862n.txt
_cod_data_source_block           8
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C31.50 H37 B9 N S4 Ta'
_cod_database_code               7009969
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5535(5) 0.7321(5) 0.6665(4) 0.0176(13) Uani 1 1 d . . .
H1 H 0.5910 0.6972 0.6098 0.021 Uiso 1 1 calc R . .
C2 C 0.4102(5) 0.6831(5) 0.6631(4) 0.0182(13) Uani 1 1 d . . .
H2 H 0.3542 0.6151 0.6038 0.022 Uiso 1 1 calc R . .
Ta Ta 0.51260(3) 0.55162(2) 0.719614(19) 0.01397(7) Uani 1 1 d . . .
B4 B 0.6389(7) 0.7776(6) 0.7780(5) 0.0193(16) Uani 1 1 d . . .
H4 H 0.7353 0.7738 0.7954 0.023(16) Uiso 1 1 calc R . .
B5 B 0.6109(7) 0.8875(6) 0.7296(5) 0.0233(17) Uani 1 1 d . . .
H5 H 0.6879 0.9496 0.7153 0.019(15) Uiso 1 1 calc R . .
B6 B 0.4639(7) 0.8250(6) 0.6516(5) 0.0223(17) Uani 1 1 d . . .
H6 H 0.4433 0.8449 0.5864 0.013(14) Uiso 1 1 calc R . .
B7 B 0.4813(7) 0.9357(7) 0.7687(5) 0.0232(16) Uani 1 1 d . . .
H7 H 0.4722 1.0292 0.7807 0.05(2) Uiso 1 1 calc R . .
B8 B 0.5903(7) 0.9074(6) 0.8469(5) 0.0213(17) Uani 1 1 d . . .
H8 H 0.6539 0.9837 0.9102 0.011(14) Uiso 1 1 calc R . .
B9 B 0.5256(6) 0.7589(6) 0.8515(4) 0.0141(14) Uani 1 1 d . . .
B10 B 0.3797(7) 0.6932(6) 0.7713(5) 0.0221(16) Uani 1 1 d . . .
H10 H 0.3002 0.6326 0.7844 0.013(14) Uiso 1 1 calc R . .
B11 B 0.3520(7) 0.8016(6) 0.7217(5) 0.0208(16) Uani 1 1 d . . .
H11 H 0.2565 0.8061 0.7012 0.006(13) Uiso 1 1 calc R . .
B12 B 0.4291(6) 0.8561(6) 0.8429(5) 0.0209(16) Uani 1 1 d . . .
H12 H 0.3859 0.8988 0.9029 0.004(13) Uiso 1 1 calc R . .
N1 N 0.5558(5) 0.7451(5) 0.9514(3) 0.0197(12) Uani 1 1 d . . .
H1N H 0.570(5) 0.685(5) 0.941(4) 0.002(16) Uiso 1 1 d . . .
C3 C 0.45119(13) 0.74310(12) 1.00427(9) 0.0304(16) Uani 1 1 d . . .
H3A H 0.4768 0.7331 1.0634 0.046 Uiso 1 1 calc R . .
H3B H 0.3800 0.6751 0.9649 0.046 Uiso 1 1 calc R . .
H3C H 0.4295 0.8197 1.0185 0.046 Uiso 1 1 calc R . .
C4 C 0.67491(13) 0.83284(12) 1.01629(9) 0.0313(17) Uani 1 1 d R . .
H4A H 0.6872 0.8180 1.0749 0.047 Uiso 1 1 calc R . .
H4B H 0.6713 0.9166 1.0311 0.047 Uiso 1 1 calc R . .
H4C H 0.7431 0.8204 0.9848 0.047 Uiso 1 1 calc R . .
S1 S 0.44989(13) 0.43875(12) 0.82100(9) 0.0196(3) Uani 1 1 d R . .
C10 C 0.29217(13) 0.34707(12) 0.79142(9) 0.0186(13) Uani 1 1 d R . .
C11 C 0.26841(13) 0.21870(12) 0.76323(9) 0.0277(16) Uani 1 1 d R . .
H11C H 0.3342 0.1832 0.7565 0.033 Uiso 1 1 calc R . .
C12 C 0.1461(7) 0.1428(6) 0.7450(5) 0.0357(18) Uani 1 1 d . . .
H12C H 0.1305 0.0572 0.7256 0.043 Uiso 1 1 calc R . .
C13 C 0.0498(7) 0.1959(7) 0.7561(5) 0.0367(18) Uani 1 1 d . . .
H13C H -0.0314 0.1458 0.7437 0.044 Uiso 1 1 calc R . .
C14 C 0.0716(6) 0.3208(6) 0.7849(5) 0.0327(17) Uani 1 1 d . . .
H14C H 0.0052 0.3553 0.7925 0.039 Uiso 1 1 calc R . .
C15 C 0.1911(6) 0.3971(6) 0.8031(4) 0.0275(15) Uani 1 1 d . . .
H15C H 0.2045 0.4825 0.8234 0.033 Uiso 1 1 calc R . .
S2 S 0.32519(14) 0.41505(13) 0.60188(10) 0.0178(3) Uani 1 1 d . . .
C20 C 0.2981(6) 0.2524(5) 0.5591(4) 0.0200(12) Uani 1 1 d U . .
C21 C 0.3833(6) 0.1900(6) 0.5747(4) 0.0270(14) Uani 1 1 d U . .
H21C H 0.4636 0.2347 0.6106 0.032 Uiso 1 1 calc R . .
C22 C 0.3493(6) 0.0603(6) 0.5367(4) 0.0300(14) Uani 1 1 d U . .
H22C H 0.4067 0.0188 0.5476 0.036 Uiso 1 1 calc R . .
C23 C 0.2310(7) -0.0060(6) 0.4832(5) 0.0367(15) Uani 1 1 d U . .
H23C H 0.2080 -0.0923 0.4575 0.044 Uiso 1 1 calc R . .
C24 C 0.1471(7) 0.0566(6) 0.4679(5) 0.0372(16) Uani 1 1 d U . .
H24C H 0.0669 0.0113 0.4322 0.045 Uiso 1 1 calc R . .
C25 C 0.1778(6) 0.1837(5) 0.5036(4) 0.0273(14) Uani 1 1 d U . .
H25C H 0.1198 0.2239 0.4913 0.033 Uiso 1 1 calc R . .
S3 S 0.60052(14) 0.45139(13) 0.58522(10) 0.0174(3) Uani 1 1 d . . .
C30 C 0.7663(6) 0.4850(6) 0.6063(4) 0.0221(12) Uani 1 1 d U . .
C31 C 0.8175(6) 0.3857(6) 0.5828(4) 0.0320(14) Uani 1 1 d U . .
H31C H 0.7656 0.3049 0.5600 0.038 Uiso 1 1 calc R . .
C32 C 0.9453(6) 0.4067(7) 0.5933(5) 0.0381(15) Uani 1 1 d U . .
H32C H 0.9794 0.3401 0.5792 0.046 Uiso 1 1 calc R . .
C33 C 1.0222(6) 0.5256(7) 0.6244(5) 0.0406(16) Uani 1 1 d U . .
H33C H 1.1082 0.5394 0.6323 0.049 Uiso 1 1 calc R . .
C34 C 0.9717(6) 0.6257(7) 0.6442(5) 0.0413(16) Uani 1 1 d U . .
H34C H 1.0238 0.7059 0.6631 0.050 Uiso 1 1 calc R . .
C35 C 0.8441(6) 0.6057(6) 0.6357(4) 0.0314(14) Uani 1 1 d U . .
H35C H 0.8102 0.6724 0.6495 0.038 Uiso 1 1 calc R . .
S4 S 0.71033(14) 0.58098(13) 0.82485(10) 0.0190(3) Uani 1 1 d . . .
C40 C 0.7372(5) 0.4466(5) 0.8395(4) 0.0172(13) Uani 1 1 d . . .
C41 C 0.6975(5) 0.3289(5) 0.7680(5) 0.0240(15) Uani 1 1 d . . .
H41C H 0.6519 0.3158 0.7081 0.029 Uiso 1 1 calc R . .
C42 C 0.7257(6) 0.2305(6) 0.7858(5) 0.0302(16) Uani 1 1 d . . .
H42C H 0.6996 0.1515 0.7373 0.036 Uiso 1 1 calc R . .
C43 C 0.7916(6) 0.2483(6) 0.8740(5) 0.0315(17) Uani 1 1 d . . .
H43C H 0.8087 0.1814 0.8857 0.038 Uiso 1 1 calc R . .
C44 C 0.8331(6) 0.3670(6) 0.9463(5) 0.0325(17) Uani 1 1 d . . .
H44C H 0.8784 0.3801 1.0063 0.039 Uiso 1 1 calc R . .
C45 C 0.8062(6) 0.4647(6) 0.9277(4) 0.0251(15) Uani 1 1 d . . .
H45C H 0.8349 0.5442 0.9754 0.030 Uiso 1 1 calc R . .
C1T C 0.957(3) 0.1735(15) 1.0885(12) 0.102(3) Uiso 0.50 1 d PD . .
C2T C 0.976(2) 0.0588(12) 1.0257(10) 0.102(3) Uiso 0.50 1 d PGD . .
C3T C 0.9852(18) -0.0328(13) 1.0611(9) 0.102(3) Uiso 0.50 1 d PGD . .
C4T C 1.0118(16) -0.1392(12) 1.0036(11) 0.102(3) Uiso 0.50 1 d PG . .
C5T C 1.0288(17) -0.1540(12) 0.9108(11) 0.102(3) Uiso 0.50 1 d PG . .
C6T C 1.0191(16) -0.0624(14) 0.8755(8) 0.102(3) Uiso 0.50 1 d PG . .
C7T C 0.9925(16) 0.0439(13) 0.9329(9) 0.102(3) Uiso 0.50 1 d PGD . .
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'
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'
Ta Ta -0.7052 6.5227 '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
C2 C1 B4 111.5(5) . . ?
C2 C1 B5 112.4(4) . . ?
B4 C1 B5 63.4(4) . . ?
C2 C1 B6 64.0(4) . . ?
B4 C1 B6 115.6(4) . . ?
B5 C1 B6 61.9(4) . . ?
C2 C1 Ta 69.5(3) . . ?
B4 C1 Ta 71.4(3) . . ?
B5 C1 Ta 131.9(4) . . ?
B6 C1 Ta 132.0(4) . . ?
C2 C1 H1 121.3 . . ?
B4 C1 H1 118.9 . . ?
B5 C1 H1 115.7 . . ?
B6 C1 H1 113.8 . . ?
Ta C1 H1 99.6 . . ?
C1 C2 B10 112.8(5) . . ?
C1 C2 B11 111.1(4) . . ?
B10 C2 B11 63.0(4) . . ?
C1 C2 B6 61.8(4) . . ?
B10 C2 B6 114.9(4) . . ?
B11 C2 B6 61.7(4) . . ?
C1 C2 Ta 73.7(3) . . ?
B10 C2 Ta 71.4(3) . . ?
B11 C2 Ta 132.2(4) . . ?
B6 C2 Ta 134.0(4) . . ?
C1 C2 H2 120.5 . . ?
B10 C2 H2 119.1 . . ?
B11 C2 H2 116.9 . . ?
B6 C2 H2 114.8 . . ?
Ta C2 H2 96.8 . . ?
S3 Ta S2 78.96(5) . . ?
S3 Ta S1 117.56(5) . . ?
S2 Ta S1 86.76(5) . . ?
S3 Ta C2 103.43(13) . . ?
S2 Ta C2 73.04(13) . . ?
S1 Ta C2 129.61(14) . . ?
S3 Ta S4 87.04(5) . . ?
S2 Ta S4 150.00(5) . . ?
S1 Ta S4 76.36(5) . . ?
C2 Ta S4 136.53(14) . . ?
S3 Ta B10 142.85(16) . . ?
S2 Ta B10 84.28(17) . . ?
S1 Ta B10 94.06(17) . . ?
C2 Ta B10 39.6(2) . . ?
S4 Ta B10 121.03(16) . . ?
S3 Ta C1 85.26(13) . . ?
S2 Ta C1 100.52(13) . . ?
S1 Ta C1 157.09(13) . . ?
C2 Ta C1 36.88(18) . . ?
S4 Ta C1 104.64(14) . . ?
B10 Ta C1 65.5(2) . . ?
S3 Ta B4 102.90(15) . . ?
S2 Ta B4 137.40(17) . . ?
S1 Ta B4 126.03(15) . . ?
C2 Ta B4 65.1(2) . . ?
S4 Ta B4 71.46(17) . . ?
B10 Ta B4 68.7(2) . . ?
C1 Ta B4 38.8(2) . . ?
S3 Ta B9 144.48(16) . . ?
S2 Ta B9 124.85(15) . . ?
S1 Ta B9 91.93(15) . . ?
C2 Ta B9 66.03(19) . . ?
S4 Ta B9 80.94(15) . . ?
B10 Ta B9 40.8(2) . . ?
C1 Ta B9 66.01(19) . . ?
B4 Ta B9 41.6(2) . . ?
C1 B4 B5 58.8(4) . . ?
C1 B4 B8 103.6(5) . . ?
B5 B4 B8 59.0(4) . . ?
C1 B4 B9 104.7(5) . . ?
B5 B4 B9 107.5(5) . . ?
B8 B4 B9 59.7(4) . . ?
C1 B4 Ta 69.8(3) . . ?
B5 B4 Ta 126.2(4) . . ?
B8 B4 Ta 125.3(4) . . ?
B9 B4 Ta 69.6(3) . . ?
C1 B4 H4 125.7 . . ?
B5 B4 H4 119.0 . . ?
B8 B4 H4 120.9 . . ?
B9 B4 H4 123.5 . . ?
Ta B4 H4 102.9 . . ?
C1 B5 B6 59.4(4) . . ?
C1 B5 B8 104.2(5) . . ?
B6 B5 B8 108.5(5) . . ?
C1 B5 B7 104.8(5) . . ?
B6 B5 B7 60.1(4) . . ?
B8 B5 B7 60.3(4) . . ?
C1 B5 B4 57.7(4) . . ?
B6 B5 B4 108.7(5) . . ?
B8 B5 B4 60.9(4) . . ?
B7 B5 B4 109.2(5) . . ?
C1 B5 H5 125.3 . . ?
B6 B5 H5 120.9 . . ?
B8 B5 H5 122.1 . . ?
B7 B5 H5 121.9 . . ?
B4 B5 H5 120.9 . . ?
C1 B6 C2 54.2(3) . . ?
C1 B6 B5 58.7(4) . . ?
C2 B6 B5 102.1(5) . . ?
C1 B6 B7 104.6(5) . . ?
C2 B6 B7 103.9(5) . . ?
B5 B6 B7 60.5(4) . . ?
C1 B6 B11 102.1(5) . . ?
C2 B6 B11 58.2(4) . . ?
B5 B6 B11 107.2(5) . . ?
B7 B6 B11 60.0(4) . . ?
C1 B6 H6 125.9 . . ?
C2 B6 H6 126.5 . . ?
B5 B6 H6 122.6 . . ?
B7 B6 H6 122.4 . . ?
B11 B6 H6 122.9 . . ?
B6 B7 B11 60.1(4) . . ?
B6 B7 B12 108.3(5) . . ?
B11 B7 B12 59.6(4) . . ?
B6 B7 B8 107.2(5) . . ?
B11 B7 B8 106.4(5) . . ?
B12 B7 B8 59.8(4) . . ?
B6 B7 B5 59.4(4) . . ?
B11 B7 B5 106.4(5) . . ?
B12 B7 B5 107.2(5) . . ?
B8 B7 B5 59.3(4) . . ?
B6 B7 H7 121.6 . . ?
B11 B7 H7 122.7 . . ?
B12 B7 H7 121.7 . . ?
B8 B7 H7 122.6 . . ?
B5 B7 H7 122.7 . . ?
B5 B8 B12 108.3(5) . . ?
B5 B8 B7 60.4(4) . . ?
B12 B8 B7 60.1(4) . . ?
B5 B8 B4 60.2(4) . . ?
B12 B8 B4 108.4(5) . . ?
B7 B8 B4 108.7(5) . . ?
B5 B8 B9 109.3(5) . . ?
B12 B8 B9 60.3(4) . . ?
B7 B8 B9 109.2(5) . . ?
B4 B8 B9 60.7(4) . . ?
B5 B8 H8 121.3 . . ?
B12 B8 H8 121.7 . . ?
B7 B8 H8 121.2 . . ?
B4 B8 H8 121.4 . . ?
B9 B8 H8 120.7 . . ?
N1 B9 B10 124.9(5) . . ?
N1 B9 B12 117.5(5) . . ?
B10 B9 B12 60.7(4) . . ?
N1 B9 B8 117.5(5) . . ?
B10 B9 B8 106.9(5) . . ?
B12 B9 B8 59.2(4) . . ?
N1 B9 B4 124.1(5) . . ?
B10 B9 B4 105.5(4) . . ?
B12 B9 B4 106.6(5) . . ?
B8 B9 B4 59.6(4) . . ?
N1 B9 Ta 107.2(4) . . ?
B10 B9 Ta 67.7(3) . . ?
B12 B9 Ta 124.7(4) . . ?
B8 B9 Ta 124.5(4) . . ?
B4 B9 Ta 68.8(3) . . ?
C2 B10 B9 105.3(5) . . ?
C2 B10 B11 59.3(4) . . ?
B9 B10 B11 108.3(5) . . ?
C2 B10 B12 104.5(5) . . ?
B9 B10 B12 60.4(4) . . ?
B11 B10 B12 59.2(4) . . ?
C2 B10 Ta 69.1(3) . . ?
B9 B10 Ta 71.5(3) . . ?
B11 B10 Ta 126.5(4) . . ?
B12 B10 Ta 127.9(4) . . ?
C2 B10 H10 126.0 . . ?
B9 B10 H10 122.4 . . ?
B11 B10 H10 118.9 . . ?
B12 B10 H10 119.7 . . ?
Ta B10 H10 101.6 . . ?
C2 B11 B12 104.6(5) . . ?
C2 B11 B7 105.3(5) . . ?
B12 B11 B7 60.3(4) . . ?
C2 B11 B10 57.6(4) . . ?
B12 B11 B10 61.0(4) . . ?
B7 B11 B10 109.2(5) . . ?
C2 B11 B6 60.2(4) . . ?
B12 B11 B6 108.7(5) . . ?
B7 B11 B6 59.9(4) . . ?
B10 B11 B6 109.1(5) . . ?
C2 B11 H11 124.9 . . ?
B12 B11 H11 122.0 . . ?
B7 B11 H11 122.0 . . ?
B10 B11 H11 120.9 . . ?
B6 B11 H11 120.6 . . ?
B11 B12 B8 107.2(5) . . ?
B11 B12 B7 60.2(4) . . ?
B8 B12 B7 60.2(4) . . ?
B11 B12 B9 107.7(4) . . ?
B8 B12 B9 60.6(4) . . ?
B7 B12 B9 109.5(5) . . ?
B11 B12 B10 59.8(4) . . ?
B8 B12 B10 106.6(5) . . ?
B7 B12 B10 108.2(5) . . ?
B9 B12 B10 58.9(4) . . ?
B11 B12 H12 122.1 . . ?
B8 B12 H12 122.3 . . ?
B7 B12 H12 120.8 . . ?
B9 B12 H12 121.3 . . ?
B10 B12 H12 122.6 . . ?
C4 N1 C3 111.2(3) . . ?
C4 N1 B9 114.4(4) . . ?
C3 N1 B9 114.9(4) . . ?
C4 N1 H1N 101(4) . . ?
C3 N1 H1N 107(4) . . ?
B9 N1 H1N 107(4) . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C10 S1 Ta 117.3 . . ?
C11 C10 C15 117.9(3) . . ?
C11 C10 S1 118.3 . . ?
C15 C10 S1 123.6(3) . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11C 119.7 . . ?
C12 C11 H11C 119.7 . . ?
C13 C12 C11 119.4(6) . . ?
C13 C12 H12C 120.3 . . ?
C11 C12 H12C 120.3 . . ?
C14 C13 C12 120.8(6) . . ?
C14 C13 H13C 119.6 . . ?
C12 C13 H13C 119.6 . . ?
C13 C14 C15 120.7(6) . . ?
C13 C14 H14C 119.6 . . ?
C15 C14 H14C 119.6 . . ?
C14 C15 C10 120.6(5) . . ?
C14 C15 H15C 119.7 . . ?
C10 C15 H15C 119.7 . . ?
C20 S2 Ta 120.5(2) . . ?
C21 C20 C25 119.2(6) . . ?
C21 C20 S2 126.2(5) . . ?
C25 C20 S2 114.6(5) . . ?
C20 C21 C22 120.3(6) . . ?
C20 C21 H21C 119.9 . . ?
C22 C21 H21C 119.9 . . ?
C23 C22 C21 120.0(7) . . ?
C23 C22 H22C 120.0 . . ?
C21 C22 H22C 120.0 . . ?
C24 C23 C22 119.3(6) . . ?
C24 C23 H23C 120.3 . . ?
C22 C23 H23C 120.3 . . ?
C25 C24 C23 122.1(7) . . ?
C25 C24 H24C 118.9 . . ?
C23 C24 H24C 118.9 . . ?
C24 C25 C20 119.1(6) . . ?
C24 C25 H25C 120.5 . . ?
C20 C25 H25C 120.5 . . ?
C30 S3 Ta 116.62(19) . . ?
C31 C30 C35 119.6(6) . . ?
C31 C30 S3 118.0(5) . . ?
C35 C30 S3 122.1(5) . . ?
C32 C31 C30 120.2(7) . . ?
C32 C31 H31C 119.9 . . ?
C30 C31 H31C 119.9 . . ?
C33 C32 C31 120.2(7) . . ?
C33 C32 H32C 119.9 . . ?
C31 C32 H32C 119.9 . . ?
C32 C33 C34 120.2(7) . . ?
C32 C33 H33C 119.9 . . ?
C34 C33 H33C 119.9 . . ?
C35 C34 C33 120.0(7) . . ?
C35 C34 H34C 120.0 . . ?
C33 C34 H34C 120.0 . . ?
C34 C35 C30 119.8(6) . . ?
C34 C35 H35C 120.1 . . ?
C30 C35 H35C 120.1 . . ?
C40 S4 Ta 116.8(2) . . ?
C41 C40 C45 119.3(6) . . ?
C41 C40 S4 124.2(5) . . ?
C45 C40 S4 116.5(4) . . ?
C40 C41 C42 119.9(6) . . ?
C40 C41 H41C 120.1 . . ?
C42 C41 H41C 120.1 . . ?
C43 C42 C41 120.6(6) . . ?
C43 C42 H42C 119.7 . . ?
C41 C42 H42C 119.7 . . ?
C42 C43 C44 119.9(6) . . ?
C42 C43 H43C 120.1 . . ?
C44 C43 H43C 120.1 . . ?
C45 C44 C43 119.2(6) . . ?
C45 C44 H44C 120.4 . . ?
C43 C44 H44C 120.4 . . ?
C44 C45 C40 121.1(6) . . ?
C44 C45 H45C 119.4 . . ?
C40 C45 H45C 119.4 . . ?
C5T C1T C4T 79(5) 2_757 2_757 ?
C5T C1T C2T 40(6) 2_757 . ?
C4T C1T C2T 48.4(10) 2_757 . ?
C5T C1T C6T 28(6) 2_757 2_757 ?
C4T C1T C6T 102.8(13) 2_757 2_757 ?
C2T C1T C6T 56.0(8) . 2_757 ?
C4T C2T C5T 70.7(13) 2_757 2_757 ?
C4T C2T C3T 65.1(13) 2_757 2_757 ?
C5T C2T C3T 134(2) 2_757 2_757 ?
C4T C2T C3T 169(2) 2_757 . ?
C5T C2T C3T 112.0(17) 2_757 . ?
C3T C2T C3T 109.3(11) 2_757 . ?
C4T C2T C7T 56.3(14) 2_757 . ?
C5T C2T C7T 127.0(17) 2_757 . ?
C3T C2T C7T 13.5(12) 2_757 . ?
C3T C2T C7T 120.0 . . ?
C4T C2T C1T 64.3(14) 2_757 . ?
C5T C2T C1T 9.3(17) 2_757 . ?
C3T C2T C1T 129.3(12) 2_757 . ?
C3T C2T C1T 119.6(3) . . ?
C7T C2T C1T 120.2(3) . . ?
C4T C2T C6T 130.7(19) 2_757 2_757 ?
C5T C2T C6T 61.3(11) 2_757 2_757 ?
C3T C2T C6T 154(3) 2_757 2_757 ?
C3T C2T C6T 50.7(12) . 2_757 ?
C7T C2T C6T 167.3(18) . 2_757 ?
C1T C2T C6T 69.2(12) . 2_757 ?
C4T C2T C2T 119(2) 2_757 2_757 ?
C5T C2T C2T 158(3) 2_757 2_757 ?
C3T C2T C2T 54.8(9) 2_757 2_757 ?
C3T C2T C2T 54.5(9) . 2_757 ?
C7T C2T C2T 66.0(9) . 2_757 ?
C1T C2T C2T 167(2) . 2_757 ?
C6T C2T C2T 103.0(18) 2_757 2_757 ?
C4T C2T C7T 161(3) 2_757 2_757 ?
C5T C2T C7T 113.4(19) 2_757 2_757 ?
C3T C2T C7T 105.1(14) 2_757 2_757 ?
C3T C2T C7T 7.9(13) . 2_757 ?
C7T C2T C7T 116.7(9) . 2_757 ?
C1T C2T C7T 121.8(9) . 2_757 ?
C6T C2T C7T 52.7(9) 2_757 2_757 ?
C2T C2T C7T 50.7(9) 2_757 2_757 ?
C7T C3T C6T 114(6) 2_757 2_757 ?
C7T C3T C2T 84(5) 2_757 2_757 ?
C6T C3T C2T 134(2) 2_757 2_757 ?
C7T C3T C4T 54(5) 2_757 . ?
C6T C3T C4T 168(2) 2_757 . ?
C2T C3T C4T 50.1(10) 2_757 . ?
C7T C3T C2T 136(6) 2_757 . ?
C6T C3T C2T 68.0(15) 2_757 . ?
C2T C3T C2T 70.7(10) 2_757 . ?
C4T C3T C2T 120.0 . . ?
C2T C4T C7T 70.7(13) 2_757 2_757 ?
C2T C4T C5T 56.3(10) 2_757 . ?
C7T C4T C5T 127.0(12) 2_757 . ?
C2T C4T C3T 64.7(11) 2_757 . ?
C7T C4T C3T 12.4(16) 2_757 . ?
C5T C4T C3T 120.0 . . ?
C2T C4T C1T 67.3(12) 2_757 2_757 ?
C7T C4T C1T 137(2) 2_757 2_757 ?
C5T C4T C1T 12.7(11) . 2_757 ?
C3T C4T C1T 131.8(10) . 2_757 ?
C1T C5T C2T 131(6) 2_757 2_757 ?
C1T C5T C4T 88(4) 2_757 . ?
C2T C5T C4T 53.0(12) 2_757 . ?
C1T C5T C6T 146(6) 2_757 . ?
C2T C5T C6T 68.0(12) 2_757 . ?
C4T C5T C6T 120.0 . . ?
C3T C6T C5T 112.0(12) 2_757 . ?
C3T C6T C7T 12.4(14) 2_757 . ?
C5T C6T C7T 120.0 . . ?
C3T C6T C2T 61.3(10) 2_757 2_757 ?
C5T C6T C2T 50.7(9) . 2_757 ?
C7T C6T C2T 70.0(9) . 2_757 ?
C3T C6T C1T 116.0(16) 2_757 2_757 ?
C5T C6T C1T 6.1(11) . 2_757 ?
C7T C6T C1T 124.7(7) . 2_757 ?
C2T C6T C1T 54.9(9) 2_757 2_757 ?
C3T C7T C4T 114(6) 2_757 2_757 ?
C3T C7T C6T 54(4) 2_757 . ?
C4T C7T C6T 168(2) 2_757 . ?
C3T C7T C2T 82(4) 2_757 . ?
C4T C7T C2T 53.0(14) 2_757 . ?
C6T C7T C2T 120.0 . . ?
C3T C7T C2T 36(4) 2_757 2_757 ?
C4T C7T C2T 113.4(18) 2_757 2_757 ?
C6T C7T C2T 57.3(7) . 2_757 ?
C2T C7T C2T 63.3(8) . 2_757 ?
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 C2 1.573(8) . ?
C1 B4 1.677(9) . ?
C1 B5 1.697(8) . ?
C1 B6 1.708(9) . ?
C1 Ta 2.515(6) . ?
C1 H1 1.0001 . ?
C2 B10 1.674(9) . ?
C2 B11 1.706(8) . ?
C2 B6 1.742(9) . ?
C2 Ta 2.454(6) . ?
C2 H2 1.0001 . ?
Ta S3 2.4177(14) . ?
Ta S2 2.4224(15) . ?
Ta S1 2.4255(14) . ?
Ta S4 2.4580(16) . ?
Ta B10 2.489(7) . ?
Ta B4 2.539(6) . ?
Ta B9 2.552(6) . ?
B4 B5 1.774(10) . ?
B4 B8 1.787(9) . ?
B4 B9 1.807(10) . ?
B4 H4 1.1000 . ?
B5 B6 1.752(10) . ?
B5 B8 1.752(10) . ?
B5 B7 1.772(10) . ?
B5 H5 1.1000 . ?
B6 B7 1.764(10) . ?
B6 B11 1.768(10) . ?
B6 H6 1.1000 . ?
B7 B11 1.767(10) . ?
B7 B12 1.768(10) . ?
B7 B8 1.770(11) . ?
B7 H7 1.1000 . ?
B8 B12 1.763(10) . ?
B8 B9 1.788(9) . ?
B8 H8 1.1000 . ?
B9 N1 1.577(8) . ?
B9 B10 1.757(9) . ?
B9 B12 1.783(9) . ?
B10 B11 1.768(10) . ?
B10 B12 1.789(9) . ?
B10 H10 1.1000 . ?
B11 B12 1.756(10) . ?
B11 H11 1.1000 . ?
B12 H12 1.1000 . ?
N1 C4 1.489(5) . ?
N1 C3 1.494(5) . ?
N1 H1N 0.74(5) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
S1 C10 1.7753 . ?
C10 C11 1.3960 . ?
C10 C15 1.399(7) . ?
C11 C12 1.403(7) . ?
C11 H11C 0.9300 . ?
C12 C13 1.371(9) . ?
C12 H12C 0.9300 . ?
C13 C14 1.357(9) . ?
C13 H13C 0.9300 . ?
C14 C15 1.379(8) . ?
C14 H14C 0.9300 . ?
C15 H15C 0.9300 . ?
S2 C20 1.766(6) . ?
C20 C21 1.385(8) . ?
C20 C25 1.405(8) . ?
C21 C22 1.398(8) . ?
C21 H21C 0.9300 . ?
C22 C23 1.375(9) . ?
C22 H22C 0.9300 . ?
C23 C24 1.373(9) . ?
C23 H23C 0.9300 . ?
C24 C25 1.370(8) . ?
C24 H24C 0.9300 . ?
C25 H25C 0.9300 . ?
S3 C30 1.781(6) . ?
C30 C31 1.389(8) . ?
C30 C35 1.396(8) . ?
C31 C32 1.383(9) . ?
C31 H31C 0.9300 . ?
C32 C33 1.373(9) . ?
C32 H32C 0.9300 . ?
C33 C34 1.393(9) . ?
C33 H33C 0.9300 . ?
C34 C35 1.383(8) . ?
C34 H34C 0.9300 . ?
C35 H35C 0.9300 . ?
S4 C40 1.779(6) . ?
C40 C41 1.382(8) . ?
C40 C45 1.382(8) . ?
C41 C42 1.386(8) . ?
C41 H41C 0.9300 . ?
C42 C43 1.369(9) . ?
C42 H42C 0.9300 . ?
C43 C44 1.395(9) . ?
C43 H43C 0.9300 . ?
C44 C45 1.376(8) . ?
C44 H44C 0.9300 . ?
C45 H45C 0.9300 . ?
C1T C5T 0.31(3) 2_757 ?
C1T C4T 1.42(3) 2_757 ?
C1T C2T 1.4499 . ?
C1T C6T 1.66(3) 2_757 ?
C2T C4T 1.18(3) 2_757 ?
C2T C5T 1.23(2) 2_757 ?
C2T C3T 1.39(2) 2_757 ?
C2T C3T 1.3900 . ?
C2T C7T 1.3900 . ?
C2T C6T 1.47(3) 2_757 ?
C2T C2T 1.60(2) 2_757 ?
C2T C7T 1.64(3) 2_757 ?
C3T C7T 0.33(3) 2_757 ?
C3T C6T 1.23(2) 2_757 ?
C3T C2T 1.39(2) 2_757 ?
C3T C4T 1.3900 . ?
C4T C2T 1.18(2) 2_757 ?
C4T C7T 1.23(3) 2_757 ?
C4T C5T 1.3900 . ?
C4T C1T 1.42(2) 2_757 ?
C5T C1T 0.31(3) 2_757 ?
C5T C2T 1.23(2) 2_757 ?
C5T C6T 1.3900 . ?
C6T C3T 1.23(2) 2_757 ?
C6T C7T 1.3900 . ?
C6T C2T 1.47(2) 2_757 ?
C6T C1T 1.66(2) 2_757 ?
C7T C3T 0.33(3) 2_757 ?
C7T C4T 1.23(3) 2_757 ?
C7T C2T 1.64(2) 2_757 ?
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
B4 C1 C2 B10 1.9(6) . . . . ?
B5 C1 C2 B10 -67.1(6) . . . . ?
B6 C1 C2 B10 -107.0(5) . . . . ?
Ta C1 C2 B10 61.0(4) . . . . ?
B4 C1 C2 B11 70.5(6) . . . . ?
B5 C1 C2 B11 1.5(6) . . . . ?
B6 C1 C2 B11 -38.4(5) . . . . ?
Ta C1 C2 B11 129.6(4) . . . . ?
B4 C1 C2 B6 108.9(5) . . . . ?
B5 C1 C2 B6 39.9(5) . . . . ?
Ta C1 C2 B6 168.0(3) . . . . ?
B4 C1 C2 Ta -59.1(4) . . . . ?
B5 C1 C2 Ta -128.1(4) . . . . ?
B6 C1 C2 Ta -168.0(3) . . . . ?
C1 C2 Ta S3 -62.6(3) . . . . ?
B10 C2 Ta S3 175.7(3) . . . . ?
B11 C2 Ta S3 -166.5(5) . . . . ?
B6 C2 Ta S3 -77.4(5) . . . . ?
C1 C2 Ta S2 -136.4(3) . . . . ?
B10 C2 Ta S2 101.8(3) . . . . ?
B11 C2 Ta S2 119.7(5) . . . . ?
B6 C2 Ta S2 -151.2(5) . . . . ?
C1 C2 Ta S1 152.8(2) . . . . ?
B10 C2 Ta S1 31.1(4) . . . . ?
B11 C2 Ta S1 48.9(6) . . . . ?
B6 C2 Ta S1 138.0(4) . . . . ?
C1 C2 Ta S4 37.4(4) . . . . ?
B10 C2 Ta S4 -84.3(4) . . . . ?
B11 C2 Ta S4 -66.5(6) . . . . ?
B6 C2 Ta S4 22.7(6) . . . . ?
C1 C2 Ta B10 121.7(4) . . . . ?
B11 C2 Ta B10 17.8(5) . . . . ?
B6 C2 Ta B10 107.0(6) . . . . ?
B10 C2 Ta C1 -121.7(4) . . . . ?
B11 C2 Ta C1 -103.9(6) . . . . ?
B6 C2 Ta C1 -14.7(4) . . . . ?
C1 C2 Ta B4 35.5(3) . . . . ?
B10 C2 Ta B4 -86.2(3) . . . . ?
B11 C2 Ta B4 -68.4(5) . . . . ?
B6 C2 Ta B4 20.8(5) . . . . ?
C1 C2 Ta B9 81.4(3) . . . . ?
B10 C2 Ta B9 -40.3(3) . . . . ?
B11 C2 Ta B9 -22.5(5) . . . . ?
B6 C2 Ta B9 66.7(5) . . . . ?
C2 C1 Ta S3 119.9(3) . . . . ?
B4 C1 Ta S3 -117.4(3) . . . . ?
B5 C1 Ta S3 -138.0(5) . . . . ?
B6 C1 Ta S3 134.5(5) . . . . ?
C2 C1 Ta S2 42.1(3) . . . . ?
B4 C1 Ta S2 164.7(3) . . . . ?
B5 C1 Ta S2 144.2(5) . . . . ?
B6 C1 Ta S2 56.7(5) . . . . ?
C2 C1 Ta S1 -64.9(5) . . . . ?
B4 C1 Ta S1 57.8(5) . . . . ?
B5 C1 Ta S1 37.3(7) . . . . ?
B6 C1 Ta S1 -50.3(7) . . . . ?
B4 C1 Ta C2 122.6(4) . . . . ?
B5 C1 Ta C2 102.1(6) . . . . ?
B6 C1 Ta C2 14.6(4) . . . . ?
C2 C1 Ta S4 -154.4(2) . . . . ?
B4 C1 Ta S4 -31.8(3) . . . . ?
B5 C1 Ta S4 -52.3(5) . . . . ?
B6 C1 Ta S4 -139.8(4) . . . . ?
C2 C1 Ta B10 -36.6(3) . . . . ?
B4 C1 Ta B10 86.0(3) . . . . ?
B5 C1 Ta B10 65.5(5) . . . . ?
B6 C1 Ta B10 -22.0(5) . . . . ?
C2 C1 Ta B4 -122.6(4) . . . . ?
B5 C1 Ta B4 -20.5(5) . . . . ?
B6 C1 Ta B4 -108.1(6) . . . . ?
C2 C1 Ta B9 -81.5(3) . . . . ?
B4 C1 Ta B9 41.1(3) . . . . ?
B5 C1 Ta B9 20.6(5) . . . . ?
B6 C1 Ta B9 -66.9(5) . . . . ?
C2 C1 B4 B5 -105.1(5) . . . . ?
B6 C1 B4 B5 -34.6(5) . . . . ?
Ta C1 B4 B5 -163.1(4) . . . . ?
C2 C1 B4 B8 -65.1(5) . . . . ?
B5 C1 B4 B8 40.0(4) . . . . ?
B6 C1 B4 B8 5.4(6) . . . . ?
Ta C1 B4 B8 -123.0(4) . . . . ?
C2 C1 B4 B9 -3.3(6) . . . . ?
B5 C1 B4 B9 101.8(5) . . . . ?
B6 C1 B4 B9 67.1(6) . . . . ?
Ta C1 B4 B9 -61.3(3) . . . . ?
C2 C1 B4 Ta 58.0(4) . . . . ?
B5 C1 B4 Ta 163.1(4) . . . . ?
B6 C1 B4 Ta 128.4(5) . . . . ?
S3 Ta B4 C1 65.1(3) . . . . ?
S2 Ta B4 C1 -22.5(4) . . . . ?
S1 Ta B4 C1 -156.0(2) . . . . ?
C2 Ta B4 C1 -33.9(3) . . . . ?
S4 Ta B4 C1 147.5(3) . . . . ?
B10 Ta B4 C1 -76.9(3) . . . . ?
B9 Ta B4 C1 -115.2(5) . . . . ?
S3 Ta B4 B5 83.1(5) . . . . ?
S2 Ta B4 B5 -4.5(6) . . . . ?
S1 Ta B4 B5 -138.0(4) . . . . ?
C2 Ta B4 B5 -15.9(4) . . . . ?
S4 Ta B4 B5 165.5(5) . . . . ?
B10 Ta B4 B5 -58.9(5) . . . . ?
C1 Ta B4 B5 18.0(4) . . . . ?
B9 Ta B4 B5 -97.2(6) . . . . ?
S3 Ta B4 B8 157.8(5) . . . . ?
S2 Ta B4 B8 70.1(5) . . . . ?
S1 Ta B4 B8 -63.3(6) . . . . ?
C2 Ta B4 B8 58.8(5) . . . . ?
S4 Ta B4 B8 -119.9(5) . . . . ?
B10 Ta B4 B8 15.7(5) . . . . ?
C1 Ta B4 B8 92.6(6) . . . . ?
B9 Ta B4 B8 -22.5(4) . . . . ?
S3 Ta B4 B9 -179.7(3) . . . . ?
S2 Ta B4 B9 92.7(3) . . . . ?
S1 Ta B4 B9 -40.8(4) . . . . ?
C2 Ta B4 B9 81.3(3) . . . . ?
S4 Ta B4 B9 -97.3(3) . . . . ?
B10 Ta B4 B9 38.3(3) . . . . ?
C1 Ta B4 B9 115.2(5) . . . . ?
C2 C1 B5 B6 -40.8(5) . . . . ?
B4 C1 B5 B6 -144.5(5) . . . . ?
Ta C1 B5 B6 -122.7(5) . . . . ?
C2 C1 B5 B8 62.6(6) . . . . ?
B4 C1 B5 B8 -41.1(5) . . . . ?
B6 C1 B5 B8 103.4(5) . . . . ?
Ta C1 B5 B8 -19.3(7) . . . . ?
C2 C1 B5 B7 0.1(6) . . . . ?
B4 C1 B5 B7 -103.6(5) . . . . ?
B6 C1 B5 B7 40.9(5) . . . . ?
Ta C1 B5 B7 -81.8(6) . . . . ?
C2 C1 B5 B4 103.7(5) . . . . ?
B6 C1 B5 B4 144.5(5) . . . . ?
Ta C1 B5 B4 21.8(5) . . . . ?
B8 B4 B5 C1 -133.1(5) . . . . ?
B9 B4 B5 C1 -96.9(5) . . . . ?
Ta B4 B5 C1 -19.8(4) . . . . ?
C1 B4 B5 B6 31.8(4) . . . . ?
B8 B4 B5 B6 -101.3(5) . . . . ?
B9 B4 B5 B6 -65.1(5) . . . . ?
Ta B4 B5 B6 12.0(7) . . . . ?
C1 B4 B5 B8 133.1(5) . . . . ?
B9 B4 B5 B8 36.2(4) . . . . ?
Ta B4 B5 B8 113.3(5) . . . . ?
C1 B4 B5 B7 95.7(5) . . . . ?
B8 B4 B5 B7 -37.4(5) . . . . ?
B9 B4 B5 B7 -1.2(6) . . . . ?
Ta B4 B5 B7 75.9(6) . . . . ?
B4 C1 B6 C2 -102.6(5) . . . . ?
B5 C1 B6 C2 -137.8(5) . . . . ?
Ta C1 B6 C2 -15.2(4) . . . . ?
C2 C1 B6 B5 137.8(5) . . . . ?
B4 C1 B6 B5 35.2(5) . . . . ?
Ta C1 B6 B5 122.6(5) . . . . ?
C2 C1 B6 B7 96.7(5) . . . . ?
B4 C1 B6 B7 -5.9(7) . . . . ?
B5 C1 B6 B7 -41.0(5) . . . . ?
Ta C1 B6 B7 81.6(6) . . . . ?
C2 C1 B6 B11 34.9(4) . . . . ?
B4 C1 B6 B11 -67.7(6) . . . . ?
B5 C1 B6 B11 -102.9(5) . . . . ?
Ta C1 B6 B11 19.7(6) . . . . ?
B10 C2 B6 C1 103.7(5) . . . . ?
B11 C2 B6 C1 138.8(5) . . . . ?
Ta C2 B6 C1 16.1(5) . . . . ?
C1 C2 B6 B5 -36.0(4) . . . . ?
B10 C2 B6 B5 67.7(6) . . . . ?
B11 C2 B6 B5 102.8(5) . . . . ?
Ta C2 B6 B5 -19.9(6) . . . . ?
C1 C2 B6 B7 -98.2(5) . . . . ?
B10 C2 B6 B7 5.5(7) . . . . ?
B11 C2 B6 B7 40.6(5) . . . . ?
Ta C2 B6 B7 -82.1(6) . . . . ?
C1 C2 B6 B11 -138.8(5) . . . . ?
B10 C2 B6 B11 -35.1(5) . . . . ?
Ta C2 B6 B11 -122.7(5) . . . . ?
B8 B5 B6 C1 -95.9(5) . . . . ?
B7 B5 B6 C1 -133.1(5) . . . . ?
B4 B5 B6 C1 -31.2(4) . . . . ?
C1 B5 B6 C2 33.9(4) . . . . ?
B8 B5 B6 C2 -62.0(5) . . . . ?
B7 B5 B6 C2 -99.2(5) . . . . ?
B4 B5 B6 C2 2.7(6) . . . . ?
C1 B5 B6 B7 133.1(5) . . . . ?
B8 B5 B6 B7 37.3(5) . . . . ?
B4 B5 B6 B7 101.9(5) . . . . ?
C1 B5 B6 B11 94.0(5) . . . . ?
B8 B5 B6 B11 -1.9(6) . . . . ?
B7 B5 B6 B11 -39.1(5) . . . . ?
B4 B5 B6 B11 62.8(6) . . . . ?
C1 B6 B7 B11 -95.7(5) . . . . ?
C2 B6 B7 B11 -39.7(5) . . . . ?
B5 B6 B7 B11 -135.9(5) . . . . ?
C1 B6 B7 B12 -59.4(6) . . . . ?
C2 B6 B7 B12 -3.4(7) . . . . ?
B5 B6 B7 B12 -99.6(6) . . . . ?
B11 B6 B7 B12 36.3(5) . . . . ?
C1 B6 B7 B8 3.6(7) . . . . ?
C2 B6 B7 B8 59.7(6) . . . . ?
B5 B6 B7 B8 -36.5(5) . . . . ?
B11 B6 B7 B8 99.4(6) . . . . ?
C1 B6 B7 B5 40.1(5) . . . . ?
C2 B6 B7 B5 96.2(5) . . . . ?
B11 B6 B7 B5 135.9(5) . . . . ?
C1 B5 B7 B6 -40.5(5) . . . . ?
B8 B5 B7 B6 -138.6(5) . . . . ?
B4 B5 B7 B6 -101.0(5) . . . . ?
C1 B5 B7 B11 -1.5(6) . . . . ?
B6 B5 B7 B11 39.0(5) . . . . ?
B8 B5 B7 B11 -99.7(6) . . . . ?
B4 B5 B7 B11 -62.0(6) . . . . ?
C1 B5 B7 B12 61.0(6) . . . . ?
B6 B5 B7 B12 101.5(5) . . . . ?
B8 B5 B7 B12 -37.2(5) . . . . ?
B4 B5 B7 B12 0.5(6) . . . . ?
C1 B5 B7 B8 98.1(5) . . . . ?
B6 B5 B7 B8 138.6(5) . . . . ?
B4 B5 B7 B8 37.6(5) . . . . ?
C1 B5 B8 B12 -61.6(6) . . . . ?
B6 B5 B8 B12 0.4(6) . . . . ?
B7 B5 B8 B12 37.6(5) . . . . ?
B4 B5 B8 B12 -101.1(5) . . . . ?
C1 B5 B8 B7 -99.2(5) . . . . ?
B6 B5 B8 B7 -37.2(5) . . . . ?
B4 B5 B8 B7 -138.7(5) . . . . ?
C1 B5 B8 B4 39.5(4) . . . . ?
B6 B5 B8 B4 101.5(5) . . . . ?
B7 B5 B8 B4 138.7(5) . . . . ?
C1 B5 B8 B9 2.4(6) . . . . ?
B6 B5 B8 B9 64.4(6) . . . . ?
B7 B5 B8 B9 101.6(5) . . . . ?
B4 B5 B8 B9 -37.1(5) . . . . ?
B6 B7 B8 B5 36.6(5) . . . . ?
B11 B7 B8 B5 99.6(5) . . . . ?
B12 B7 B8 B5 138.1(5) . . . . ?
B6 B7 B8 B12 -101.5(5) . . . . ?
B11 B7 B8 B12 -38.5(4) . . . . ?
B5 B7 B8 B12 -138.1(5) . . . . ?
B6 B7 B8 B4 -0.6(7) . . . . ?
B11 B7 B8 B4 62.4(6) . . . . ?
B12 B7 B8 B4 100.9(5) . . . . ?
B5 B7 B8 B4 -37.2(5) . . . . ?
B6 B7 B8 B9 -65.3(6) . . . . ?
B11 B7 B8 B9 -2.2(6) . . . . ?
B12 B7 B8 B9 36.3(4) . . . . ?
B5 B7 B8 B9 -101.8(5) . . . . ?
C1 B4 B8 B5 -40.0(5) . . . . ?
B9 B4 B8 B5 -139.3(5) . . . . ?
Ta B4 B8 B5 -114.7(5) . . . . ?
C1 B4 B8 B12 61.1(6) . . . . ?
B5 B4 B8 B12 101.0(5) . . . . ?
B9 B4 B8 B12 -38.2(5) . . . . ?
Ta B4 B8 B12 -13.7(7) . . . . ?
C1 B4 B8 B7 -2.7(6) . . . . ?
B5 B4 B8 B7 37.3(5) . . . . ?
B9 B4 B8 B7 -102.0(5) . . . . ?
Ta B4 B8 B7 -77.4(6) . . . . ?
C1 B4 B8 B9 99.3(5) . . . . ?
B5 B4 B8 B9 139.3(5) . . . . ?
Ta B4 B8 B9 24.6(4) . . . . ?
B5 B8 B9 N1 152.2(5) . . . . ?
B12 B8 B9 N1 -107.2(6) . . . . ?
B7 B8 B9 N1 -143.4(5) . . . . ?
B4 B8 B9 N1 115.3(6) . . . . ?
B5 B8 B9 B10 -61.5(6) . . . . ?
B12 B8 B9 B10 39.0(4) . . . . ?
B7 B8 B9 B10 2.8(6) . . . . ?
B4 B8 B9 B10 -98.4(5) . . . . ?
B5 B8 B9 B12 -100.6(5) . . . . ?
B7 B8 B9 B12 -36.2(4) . . . . ?
B4 B8 B9 B12 -137.4(5) . . . . ?
B5 B8 B9 B4 36.8(5) . . . . ?
B12 B8 B9 B4 137.4(5) . . . . ?
B7 B8 B9 B4 101.2(5) . . . . ?
B5 B8 B9 Ta 12.7(7) . . . . ?
B12 B8 B9 Ta 113.2(5) . . . . ?
B7 B8 B9 Ta 77.0(6) . . . . ?
B4 B8 B9 Ta -24.2(5) . . . . ?
C1 B4 B9 N1 158.3(5) . . . . ?
B5 B4 B9 N1 -140.2(5) . . . . ?
B8 B4 B9 N1 -104.4(6) . . . . ?
Ta B4 B9 N1 96.9(5) . . . . ?
C1 B4 B9 B10 3.5(5) . . . . ?
B5 B4 B9 B10 64.9(5) . . . . ?
B8 B4 B9 B10 100.8(5) . . . . ?
Ta B4 B9 B10 -58.0(4) . . . . ?
C1 B4 B9 B12 -60.0(5) . . . . ?
B5 B4 B9 B12 1.4(6) . . . . ?
B8 B4 B9 B12 37.3(4) . . . . ?
Ta B4 B9 B12 -121.5(4) . . . . ?
C1 B4 B9 B8 -97.3(5) . . . . ?
B5 B4 B9 B8 -35.9(4) . . . . ?
Ta B4 B9 B8 -158.8(4) . . . . ?
C1 B4 B9 Ta 61.5(3) . . . . ?
B5 B4 B9 Ta 122.9(4) . . . . ?
B8 B4 B9 Ta 158.8(4) . . . . ?
S3 Ta B9 N1 -120.2(3) . . . . ?
S2 Ta B9 N1 114.8(3) . . . . ?
S1 Ta B9 N1 27.4(4) . . . . ?
C2 Ta B9 N1 160.5(4) . . . . ?
S4 Ta B9 N1 -48.5(3) . . . . ?
B10 Ta B9 N1 121.4(5) . . . . ?
C1 Ta B9 N1 -159.0(4) . . . . ?
B4 Ta B9 N1 -120.7(5) . . . . ?
S3 Ta B9 B10 118.4(3) . . . . ?
S2 Ta B9 B10 -6.6(4) . . . . ?
S1 Ta B9 B10 -94.0(3) . . . . ?
C2 Ta B9 B10 39.1(3) . . . . ?
S4 Ta B9 B10 -169.8(3) . . . . ?
C1 Ta B9 B10 79.6(3) . . . . ?
B4 Ta B9 B10 118.0(5) . . . . ?
S3 Ta B9 B12 96.5(5) . . . . ?
S2 Ta B9 B12 -28.5(5) . . . . ?
S1 Ta B9 B12 -115.9(5) . . . . ?
C2 Ta B9 B12 17.2(4) . . . . ?
S4 Ta B9 B12 168.2(5) . . . . ?
B10 Ta B9 B12 -22.0(4) . . . . ?
C1 Ta B9 B12 57.7(5) . . . . ?
B4 Ta B9 B12 96.0(6) . . . . ?
S3 Ta B9 B8 22.8(6) . . . . ?
S2 Ta B9 B8 -102.3(5) . . . . ?
S1 Ta B9 B8 170.3(5) . . . . ?
C2 Ta B9 B8 -56.6(5) . . . . ?
S4 Ta B9 B8 94.5(5) . . . . ?
B10 Ta B9 B8 -95.7(6) . . . . ?
C1 Ta B9 B8 -16.1(4) . . . . ?
B4 Ta B9 B8 22.3(4) . . . . ?
S3 Ta B9 B4 0.5(5) . . . . ?
S2 Ta B9 B4 -124.5(3) . . . . ?
S1 Ta B9 B4 148.1(3) . . . . ?
C2 Ta B9 B4 -78.8(3) . . . . ?
S4 Ta B9 B4 72.2(3) . . . . ?
B10 Ta B9 B4 -118.0(5) . . . . ?
C1 Ta B9 B4 -38.3(3) . . . . ?
C1 C2 B10 B9 0.5(6) . . . . ?
B11 C2 B10 B9 -102.4(5) . . . . ?
B6 C2 B10 B9 -67.8(6) . . . . ?
Ta C2 B10 B9 62.8(4) . . . . ?
C1 C2 B10 B11 102.9(5) . . . . ?
B6 C2 B10 B11 34.6(5) . . . . ?
Ta C2 B10 B11 165.3(4) . . . . ?
C1 C2 B10 B12 63.2(6) . . . . ?
B11 C2 B10 B12 -39.8(5) . . . . ?
B6 C2 B10 B12 -5.1(7) . . . . ?
Ta C2 B10 B12 125.5(4) . . . . ?
C1 C2 B10 Ta -62.3(4) . . . . ?
B11 C2 B10 Ta -165.3(4) . . . . ?
B6 C2 B10 Ta -130.6(5) . . . . ?
N1 B9 B10 C2 -157.1(5) . . . . ?
B12 B9 B10 C2 98.2(5) . . . . ?
B8 B9 B10 C2 59.9(5) . . . . ?
B4 B9 B10 C2 -2.4(6) . . . . ?
Ta B9 B10 C2 -61.2(3) . . . . ?
N1 B9 B10 B11 140.7(5) . . . . ?
B12 B9 B10 B11 36.0(4) . . . . ?
B8 B9 B10 B11 -2.3(6) . . . . ?
B4 B9 B10 B11 -64.6(5) . . . . ?
Ta B9 B10 B11 -123.4(4) . . . . ?
N1 B9 B10 B12 104.7(6) . . . . ?
B8 B9 B10 B12 -38.3(4) . . . . ?
B4 B9 B10 B12 -100.6(5) . . . . ?
Ta B9 B10 B12 -159.4(4) . . . . ?
N1 B9 B10 Ta -95.9(5) . . . . ?
B12 B9 B10 Ta 159.4(4) . . . . ?
B8 B9 B10 Ta 121.0(4) . . . . ?
B4 B9 B10 Ta 58.7(3) . . . . ?
S3 Ta B10 C2 -7.0(5) . . . . ?
S2 Ta B10 C2 -70.2(3) . . . . ?
S1 Ta B10 C2 -156.5(3) . . . . ?
S4 Ta B10 C2 127.0(3) . . . . ?
C1 Ta B10 C2 34.1(3) . . . . ?
B4 Ta B10 C2 76.2(3) . . . . ?
B9 Ta B10 C2 115.2(5) . . . . ?
S3 Ta B10 B9 -122.2(3) . . . . ?
S2 Ta B10 B9 174.6(3) . . . . ?
S1 Ta B10 B9 88.3(3) . . . . ?
C2 Ta B10 B9 -115.2(5) . . . . ?
S4 Ta B10 B9 11.7(4) . . . . ?
C1 Ta B10 B9 -81.1(3) . . . . ?
B4 Ta B10 B9 -39.0(3) . . . . ?
S3 Ta B10 B11 -22.8(7) . . . . ?
S2 Ta B10 B11 -86.0(5) . . . . ?
S1 Ta B10 B11 -172.3(5) . . . . ?
C2 Ta B10 B11 -15.8(4) . . . . ?
S4 Ta B10 B11 111.2(5) . . . . ?
C1 Ta B10 B11 18.4(5) . . . . ?
B4 Ta B10 B11 60.5(5) . . . . ?
B9 Ta B10 B11 99.4(6) . . . . ?
S3 Ta B10 B12 -99.4(5) . . . . ?
S2 Ta B10 B12 -162.6(5) . . . . ?
S1 Ta B10 B12 111.1(5) . . . . ?
C2 Ta B10 B12 -92.4(6) . . . . ?
S4 Ta B10 B12 34.6(6) . . . . ?
C1 Ta B10 B12 -58.2(5) . . . . ?
B4 Ta B10 B12 -16.1(5) . . . . ?
B9 Ta B10 B12 22.8(4) . . . . ?
C1 C2 B11 B12 -65.0(6) . . . . ?
B10 C2 B11 B12 40.7(5) . . . . ?
B6 C2 B11 B12 -103.5(5) . . . . ?
Ta C2 B11 B12 21.7(7) . . . . ?
C1 C2 B11 B7 -2.4(6) . . . . ?
B10 C2 B11 B7 103.3(5) . . . . ?
B6 C2 B11 B7 -40.9(5) . . . . ?
Ta C2 B11 B7 84.3(6) . . . . ?
C1 C2 B11 B10 -105.7(5) . . . . ?
B6 C2 B11 B10 -144.2(5) . . . . ?
Ta C2 B11 B10 -19.0(5) . . . . ?
C1 C2 B11 B6 38.5(5) . . . . ?
B10 C2 B11 B6 144.2(5) . . . . ?
Ta C2 B11 B6 125.2(5) . . . . ?
B6 B7 B11 C2 41.0(5) . . . . ?
B12 B7 B11 C2 -98.3(5) . . . . ?
B8 B7 B11 C2 -59.7(6) . . . . ?
B5 B7 B11 C2 2.3(6) . . . . ?
B6 B7 B11 B12 139.3(5) . . . . ?
B8 B7 B11 B12 38.6(4) . . . . ?
B5 B7 B11 B12 100.7(6) . . . . ?
B6 B7 B11 B10 101.5(5) . . . . ?
B12 B7 B11 B10 -37.9(4) . . . . ?
B8 B7 B11 B10 0.7(6) . . . . ?
B5 B7 B11 B10 62.8(6) . . . . ?
B12 B7 B11 B6 -139.3(5) . . . . ?
B8 B7 B11 B6 -100.7(5) . . . . ?
B5 B7 B11 B6 -38.6(5) . . . . ?
B9 B10 B11 C2 97.3(5) . . . . ?
B12 B10 B11 C2 133.8(5) . . . . ?
Ta B10 B11 C2 17.2(4) . . . . ?
C2 B10 B11 B12 -133.8(5) . . . . ?
B9 B10 B11 B12 -36.5(4) . . . . ?
Ta B10 B11 B12 -116.7(5) . . . . ?
C2 B10 B11 B7 -96.3(5) . . . . ?
B9 B10 B11 B7 1.0(6) . . . . ?
B12 B10 B11 B7 37.5(5) . . . . ?
Ta B10 B11 B7 -79.1(6) . . . . ?
C2 B10 B11 B6 -32.5(4) . . . . ?
B9 B10 B11 B6 64.8(6) . . . . ?
B12 B10 B11 B6 101.3(5) . . . . ?
Ta B10 B11 B6 -15.3(7) . . . . ?
C1 B6 B11 C2 -33.1(4) . . . . ?
B5 B6 B11 C2 -93.8(5) . . . . ?
B7 B6 B11 C2 -133.2(5) . . . . ?
C1 B6 B11 B12 63.4(5) . . . . ?
C2 B6 B11 B12 96.5(5) . . . . ?
B5 B6 B11 B12 2.7(6) . . . . ?
B7 B6 B11 B12 -36.7(5) . . . . ?
C1 B6 B11 B7 100.1(5) . . . . ?
C2 B6 B11 B7 133.2(5) . . . . ?
B5 B6 B11 B7 39.4(5) . . . . ?
C1 B6 B11 B10 -1.6(6) . . . . ?
C2 B6 B11 B10 31.6(4) . . . . ?
B5 B6 B11 B10 -62.3(6) . . . . ?
B7 B6 B11 B10 -101.6(6) . . . . ?
C2 B11 B12 B8 60.6(6) . . . . ?
B7 B11 B12 B8 -39.0(5) . . . . ?
B10 B11 B12 B8 99.6(5) . . . . ?
B6 B11 B12 B8 -2.4(6) . . . . ?
C2 B11 B12 B7 99.5(5) . . . . ?
B10 B11 B12 B7 138.5(5) . . . . ?
B6 B11 B12 B7 36.5(5) . . . . ?
C2 B11 B12 B9 -3.3(6) . . . . ?
B7 B11 B12 B9 -102.8(5) . . . . ?
B10 B11 B12 B9 35.7(5) . . . . ?
B6 B11 B12 B9 -66.2(6) . . . . ?
C2 B11 B12 B10 -39.0(4) . . . . ?
B7 B11 B12 B10 -138.5(5) . . . . ?
B6 B11 B12 B10 -102.0(5) . . . . ?
B5 B8 B12 B11 1.3(6) . . . . ?
B7 B8 B12 B11 39.0(4) . . . . ?
B4 B8 B12 B11 -62.5(6) . . . . ?
B9 B8 B12 B11 -101.0(5) . . . . ?
B5 B8 B12 B7 -37.7(5) . . . . ?
B4 B8 B12 B7 -101.5(5) . . . . ?
B9 B8 B12 B7 -139.9(5) . . . . ?
B5 B8 B12 B9 102.2(5) . . . . ?
B7 B8 B12 B9 139.9(5) . . . . ?
B4 B8 B12 B9 38.5(4) . . . . ?
B5 B8 B12 B10 64.1(6) . . . . ?
B7 B8 B12 B10 101.8(5) . . . . ?
B4 B8 B12 B10 0.3(6) . . . . ?
B9 B8 B12 B10 -38.2(4) . . . . ?
B6 B7 B12 B11 -36.5(5) . . . . ?
B8 B7 B12 B11 -136.2(5) . . . . ?
B5 B7 B12 B11 -99.2(5) . . . . ?
B6 B7 B12 B8 99.7(5) . . . . ?
B11 B7 B12 B8 136.2(5) . . . . ?
B5 B7 B12 B8 37.0(5) . . . . ?
B6 B7 B12 B9 63.2(6) . . . . ?
B11 B7 B12 B9 99.7(5) . . . . ?
B8 B7 B12 B9 -36.5(4) . . . . ?
B5 B7 B12 B9 0.5(6) . . . . ?
B6 B7 B12 B10 0.5(7) . . . . ?
B11 B7 B12 B10 37.1(5) . . . . ?
B8 B7 B12 B10 -99.1(5) . . . . ?
B5 B7 B12 B10 -62.2(6) . . . . ?
N1 B9 B12 B11 -152.7(5) . . . . ?
B10 B9 B12 B11 -36.1(5) . . . . ?
B8 B9 B12 B11 100.2(5) . . . . ?
B4 B9 B12 B11 62.7(6) . . . . ?
Ta B9 B12 B11 -12.8(7) . . . . ?
N1 B9 B12 B8 107.1(6) . . . . ?
B10 B9 B12 B8 -136.3(5) . . . . ?
B4 B9 B12 B8 -37.5(4) . . . . ?
Ta B9 B12 B8 -112.9(5) . . . . ?
N1 B9 B12 B7 143.5(5) . . . . ?
B10 B9 B12 B7 -100.0(5) . . . . ?
B8 B9 B12 B7 36.3(5) . . . . ?
B4 B9 B12 B7 -1.2(6) . . . . ?
Ta B9 B12 B7 -76.6(6) . . . . ?
N1 B9 B12 B10 -116.6(6) . . . . ?
B8 B9 B12 B10 136.3(5) . . . . ?
B4 B9 B12 B10 98.8(5) . . . . ?
Ta B9 B12 B10 23.4(4) . . . . ?
C2 B10 B12 B11 39.9(5) . . . . ?
B9 B10 B12 B11 139.5(5) . . . . ?
Ta B10 B12 B11 114.4(6) . . . . ?
C2 B10 B12 B8 -60.7(6) . . . . ?
B9 B10 B12 B8 38.9(5) . . . . ?
B11 B10 B12 B8 -100.6(5) . . . . ?
Ta B10 B12 B8 13.8(7) . . . . ?
C2 B10 B12 B7 2.6(6) . . . . ?
B9 B10 B12 B7 102.3(5) . . . . ?
B11 B10 B12 B7 -37.2(5) . . . . ?
Ta B10 B12 B7 77.2(6) . . . . ?
C2 B10 B12 B9 -99.6(5) . . . . ?
B11 B10 B12 B9 -139.5(5) . . . . ?
Ta B10 B12 B9 -25.1(5) . . . . ?
B10 B9 N1 C4 -166.0(4) . . . . ?
B12 B9 N1 C4 -94.0(6) . . . . ?
B8 B9 N1 C4 -26.4(7) . . . . ?
B4 B9 N1 C4 43.9(7) . . . . ?
Ta B9 N1 C4 119.6(4) . . . . ?
B10 B9 N1 C3 -35.6(7) . . . . ?
B12 B9 N1 C3 36.4(7) . . . . ?
B8 B9 N1 C3 104.0(5) . . . . ?
B4 B9 N1 C3 174.3(4) . . . . ?
Ta B9 N1 C3 -110.0(4) . . . . ?
S3 Ta S1 C10 -92.71(5) . . . . ?
S2 Ta S1 C10 -16.95(4) . . . . ?
C2 Ta S1 C10 47.83(17) . . . . ?
S4 Ta S1 C10 -171.95(4) . . . . ?
B10 Ta S1 C10 67.07(16) . . . . ?
C1 Ta S1 C10 92.7(3) . . . . ?
B4 Ta S1 C10 133.6(2) . . . . ?
B9 Ta S1 C10 107.85(15) . . . . ?
Ta S1 C10 C11 116.1 . . . . ?
Ta S1 C10 C15 -69.9(3) . . . . ?
C15 C10 C11 C12 1.6(4) . . . . ?
S1 C10 C11 C12 175.9(3) . . . . ?
C10 C11 C12 C13 -0.7(7) . . . . ?
C11 C12 C13 C14 -0.4(10) . . . . ?
C12 C13 C14 C15 0.4(10) . . . . ?
C13 C14 C15 C10 0.6(9) . . . . ?
C11 C10 C15 C14 -1.5(7) . . . . ?
S1 C10 C15 C14 -175.6(4) . . . . ?
S3 Ta S2 C20 62.6(2) . . . . ?
S1 Ta S2 C20 -56.3(2) . . . . ?
C2 Ta S2 C20 170.5(3) . . . . ?
S4 Ta S2 C20 -1.1(3) . . . . ?
B10 Ta S2 C20 -150.7(3) . . . . ?
C1 Ta S2 C20 145.6(2) . . . . ?
B4 Ta S2 C20 159.7(3) . . . . ?
B9 Ta S2 C20 -146.4(3) . . . . ?
Ta S2 C20 C21 -10.5(6) . . . . ?
Ta S2 C20 C25 170.1(4) . . . . ?
C25 C20 C21 C22 -0.8(9) . . . . ?
S2 C20 C21 C22 179.8(5) . . . . ?
C20 C21 C22 C23 0.3(9) . . . . ?
C21 C22 C23 C24 -0.2(10) . . . . ?
C22 C23 C24 C25 0.7(10) . . . . ?
C23 C24 C25 C20 -1.2(10) . . . . ?
C21 C20 C25 C24 1.2(9) . . . . ?
S2 C20 C25 C24 -179.3(5) . . . . ?
S2 Ta S3 C30 -173.8(2) . . . . ?
S1 Ta S3 C30 -93.4(2) . . . . ?
C2 Ta S3 C30 116.8(3) . . . . ?
S4 Ta S3 C30 -20.5(2) . . . . ?
B10 Ta S3 C30 121.4(4) . . . . ?
C1 Ta S3 C30 84.5(3) . . . . ?
B4 Ta S3 C30 49.7(3) . . . . ?
B9 Ta S3 C30 49.4(4) . . . . ?
Ta S3 C30 C31 127.8(4) . . . . ?
Ta S3 C30 C35 -59.0(5) . . . . ?
C35 C30 C31 C32 3.4(9) . . . . ?
S3 C30 C31 C32 176.7(5) . . . . ?
C30 C31 C32 C33 -1.8(10) . . . . ?
C31 C32 C33 C34 -1.0(10) . . . . ?
C32 C33 C34 C35 2.2(10) . . . . ?
C33 C34 C35 C30 -0.6(10) . . . . ?
C31 C30 C35 C34 -2.2(9) . . . . ?
S3 C30 C35 C34 -175.2(5) . . . . ?
S3 Ta S4 C40 -72.8(2) . . . . ?
S2 Ta S4 C40 -11.1(2) . . . . ?
S1 Ta S4 C40 46.5(2) . . . . ?
C2 Ta S4 C40 -179.3(3) . . . . ?
B10 Ta S4 C40 133.0(3) . . . . ?
C1 Ta S4 C40 -157.1(2) . . . . ?
B4 Ta S4 C40 -177.5(3) . . . . ?
B9 Ta S4 C40 140.7(3) . . . . ?
Ta S4 C40 C41 34.3(5) . . . . ?
Ta S4 C40 C45 -148.1(4) . . . . ?
C45 C40 C41 C42 0.8(8) . . . . ?
S4 C40 C41 C42 178.4(4) . . . . ?
C40 C41 C42 C43 0.7(9) . . . . ?
C41 C42 C43 C44 -1.3(9) . . . . ?
C42 C43 C44 C45 0.4(9) . . . . ?
C43 C44 C45 C40 1.1(9) . . . . ?
C41 C40 C45 C44 -1.7(9) . . . . ?
S4 C40 C45 C44 -179.5(5) . . . . ?
C5T C1T C2T C4T -132(13) 2_757 . . 2_757 ?
C6T C1T C2T C4T -163(4) 2_757 . . 2_757 ?
C4T C1T C2T C5T 132(13) 2_757 . . 2_757 ?
C6T C1T C2T C5T -32(10) 2_757 . . 2_757 ?
C5T C1T C2T C3T -127(13) 2_757 . . 2_757 ?
C4T C1T C2T C3T 5.2(13) 2_757 . . 2_757 ?
C6T C1T C2T C3T -158(4) 2_757 . . 2_757 ?
C5T C1T C2T C3T 37(11) 2_757 . . . ?
C4T C1T C2T C3T 168(3) 2_757 . . . ?
C6T C1T C2T C3T 5.0(17) 2_757 . . . ?
C5T C1T C2T C7T -139(11) 2_757 . . . ?
C4T C1T C2T C7T -7.1(19) 2_757 . . . ?
C6T C1T C2T C7T -170(3) 2_757 . . . ?
C5T C1T C2T C6T 32(10) 2_757 . . 2_757 ?
C4T C1T C2T C6T 163(4) 2_757 . . 2_757 ?
C5T C1T C2T C2T -23(9) 2_757 . . 2_757 ?
C4T C1T C2T C2T 109(8) 2_757 . . 2_757 ?
C6T C1T C2T C2T -55(6) 2_757 . . 2_757 ?
C5T C1T C2T C7T 28(10) 2_757 . . 2_757 ?
C4T C1T C2T C7T 159(4) 2_757 . . 2_757 ?
C6T C1T C2T C7T -3.9(10) 2_757 . . 2_757 ?
C4T C2T C3T C7T 0(9) 2_757 . . 2_757 ?
C5T C2T C3T C7T -102(8) 2_757 . . 2_757 ?
C3T C2T C3T C7T 58(6) 2_757 . . 2_757 ?
C7T C2T C3T C7T 67(7) . . . 2_757 ?
C1T C2T C3T C7T -108(7) . . . 2_757 ?
C6T C2T C3T C7T -102(8) 2_757 . . 2_757 ?
C2T C2T C3T C7T 58(6) 2_757 . . 2_757 ?
C4T C2T C3T C6T 102(9) 2_757 . . 2_757 ?
C5T C2T C3T C6T 0.0(11) 2_757 . . 2_757 ?
C3T C2T C3T C6T 160(4) 2_757 . . 2_757 ?
C7T C2T C3T C6T 169(3) . . . 2_757 ?
C1T C2T C3T C6T -6(2) . . . 2_757 ?
C2T C2T C3T C6T 160(4) 2_757 . . 2_757 ?
C7T C2T C3T C6T 102(8) 2_757 . . 2_757 ?
C4T C2T C3T C2T -58(7) 2_757 . . 2_757 ?
C5T C2T C3T C2T -160(4) 2_757 . . 2_757 ?
C3T C2T C3T C2T 0.0(8) 2_757 . . 2_757 ?
C7T C2T C3T C2T 9.2(13) . . . 2_757 ?
C1T C2T C3T C2T -166(3) . . . 2_757 ?
C6T C2T C3T C2T -160(4) 2_757 . . 2_757 ?
C7T C2T C3T C2T -58(6) 2_757 . . 2_757 ?
C4T C2T C3T C4T -67(8) 2_757 . . . ?
C5T C2T C3T C4T -169(3) 2_757 . . . ?
C3T C2T C3T C4T -9.2(14) 2_757 . . . ?
C7T C2T C3T C4T 0.0 . . . . ?
C1T C2T C3T C4T -175(2) . . . . ?
C6T C2T C3T C4T -169(3) 2_757 . . . ?
C2T C2T C3T C4T -9.2(14) 2_757 . . . ?
C7T C2T C3T C4T -67(7) 2_757 . . . ?
C7T C3T C4T C2T -116(8) 2_757 . . 2_757 ?
C6T C3T C4T C2T -116(11) 2_757 . . 2_757 ?
C2T C3T C4T C2T 11.3(17) . . . 2_757 ?
C6T C3T C4T C7T 0(5) 2_757 . . 2_757 ?
C2T C3T C4T C7T 116(8) 2_757 . . 2_757 ?
C2T C3T C4T C7T 128(7) . . . 2_757 ?
C7T C3T C4T C5T -128(7) 2_757 . . . ?
C6T C3T C4T C5T -128(9) 2_757 . . . ?
C2T C3T C4T C5T -11.3(17) 2_757 . . . ?
C2T C3T C4T C5T 0.0 . . . . ?
C7T C3T C4T C1T -122(8) 2_757 . . 2_757 ?
C6T C3T C4T C1T -122(9) 2_757 . . 2_757 ?
C2T C3T C4T C1T -5(3) 2_757 . . 2_757 ?
C2T C3T C4T C1T 6(2) . . . 2_757 ?
C2T C4T C5T C1T 147(8) 2_757 . . 2_757 ?
C7T C4T C5T C1T 147(8) 2_757 . . 2_757 ?
C3T C4T C5T C1T 160(8) . . . 2_757 ?
C7T C4T C5T C2T 0.0(11) 2_757 . . 2_757 ?
C3T C4T C5T C2T 12.3(18) . . . 2_757 ?
C1T C4T C5T C2T -147(8) 2_757 . . 2_757 ?
C2T C4T C5T C6T -12.3(19) 2_757 . . . ?
C7T C4T C5T C6T -12(2) 2_757 . . . ?
C3T C4T C5T C6T 0.0 . . . . ?
C1T C4T C5T C6T -160(8) 2_757 . . . ?
C1T C5T C6T C3T -132(12) 2_757 . . 2_757 ?
C2T C5T C6T C3T 0.0(8) 2_757 . . 2_757 ?
C4T C5T C6T C3T 10.6(17) . . . 2_757 ?
C1T C5T C6T C7T -142(12) 2_757 . . . ?
C2T C5T C6T C7T -10.6(16) 2_757 . . . ?
C4T C5T C6T C7T 0.0 . . . . ?
C1T C5T C6T C2T -132(12) 2_757 . . 2_757 ?
C4T C5T C6T C2T 10.6(16) . . . 2_757 ?
C2T C5T C6T C1T 132(12) 2_757 . . 2_757 ?
C4T C5T C6T C1T 142(12) . . . 2_757 ?
C5T C6T C7T C3T 52(6) . . . 2_757 ?
C2T C6T C7T C3T 44(5) 2_757 . . 2_757 ?
C1T C6T C7T C3T 48(6) 2_757 . . 2_757 ?
C3T C6T C7T C4T 0(5) 2_757 . . 2_757 ?
C5T C6T C7T C4T 52(9) . . . 2_757 ?
C2T C6T C7T C4T 44(8) 2_757 . . 2_757 ?
C1T C6T C7T C4T 48(9) 2_757 . . 2_757 ?
C3T C6T C7T C2T -52(6) 2_757 . . . ?
C5T C6T C7T C2T 0.0 . . . . ?
C2T C6T C7T C2T -8.7(13) 2_757 . . . ?
C1T C6T C7T C2T -4.5(18) 2_757 . . . ?
C3T C6T C7T C2T -44(5) 2_757 . . 2_757 ?
C5T C6T C7T C2T 8.7(13) . . . 2_757 ?
C1T C6T C7T C2T 4(2) 2_757 . . 2_757 ?
C4T C2T C7T C3T 128(7) 2_757 . . 2_757 ?
C5T C2T C7T C3T 128(8) 2_757 . . 2_757 ?
C3T C2T C7T C3T -40(5) . . . 2_757 ?
C1T C2T C7T C3T 135(6) . . . 2_757 ?
C6T C2T C7T C3T 0(8) 2_757 . . 2_757 ?
C2T C2T C7T C3T -32(4) 2_757 . . 2_757 ?
C7T C2T C7T C3T -32(5) 2_757 . . 2_757 ?
C5T C2T C7T C4T 0.0(14) 2_757 . . 2_757 ?
C3T C2T C7T C4T -128(7) 2_757 . . 2_757 ?
C3T C2T C7T C4T -168(3) . . . 2_757 ?
C1T C2T C7T C4T 8(2) . . . 2_757 ?
C6T C2T C7T C4T -128(11) 2_757 . . 2_757 ?
C2T C2T C7T C4T -159(4) 2_757 . . 2_757 ?
C7T C2T C7T C4T -159(4) 2_757 . . 2_757 ?
C4T C2T C7T C6T 168(3) 2_757 . . . ?
C5T C2T C7T C6T 168(4) 2_757 . . . ?
C3T C2T C7T C6T 40(5) 2_757 . . . ?
C3T C2T C7T C6T 0.0 . . . . ?
C1T C2T C7T C6T 175(2) . . . . ?
C6T C2T C7T C6T 40(8) 2_757 . . . ?
C2T C2T C7T C6T 8.2(12) 2_757 . . . ?
C7T C2T C7T C6T 8.2(15) 2_757 . . . ?
C4T C2T C7T C2T 159(4) 2_757 . . 2_757 ?
C5T C2T C7T C2T 159(5) 2_757 . . 2_757 ?
C3T C2T C7T C2T 32(4) 2_757 . . 2_757 ?
C3T C2T C7T C2T -8.2(12) . . . 2_757 ?
C1T C2T C7T C2T 167(3) . . . 2_757 ?
C6T C2T C7T C2T 32(7) 2_757 . . 2_757 ?
C7T C2T C7T C2T 0.0(7) 2_757 . . 2_757 ?
