#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:53:12 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179082 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/44/4304416.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_4304416
loop_
_publ_author_name
'Jamin L. Krinsky'
'Laura L. Anderson'
'John Arnold'
'Robert G. Bergman'
_publ_section_title
;
Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1053
_journal_page_last               1066
_journal_paper_doi               10.1021/ic701920v
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C84 H56 Cl14 N14 O Ta6, 2(C6 H6), 2(C4 H11 N)'
_chemical_formula_sum            'C104 H90 Cl14 N16 O Ta6'
_chemical_formula_weight         3161.92
_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                108.6870(10)
_cell_angle_beta                 96.2770(10)
_cell_angle_gamma                94.8470(10)
_cell_formula_units_Z            1
_cell_length_a                   13.1480(9)
_cell_length_b                   13.7959(10)
_cell_length_c                   16.0049(11)
_cell_measurement_reflns_used    5522
_cell_measurement_temperature    168(2)
_cell_measurement_theta_max      26.25
_cell_measurement_theta_min      2.31
_cell_volume                     2711.5(3)
_computing_cell_refinement       'Bruker SAINT v7.07B'
_computing_data_collection       'Bruker SMART v5.631'
_computing_data_reduction        'Bruker SAINT v7.07B'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      168(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       'ω scans'
_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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15509
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.428
_exptl_absorpt_correction_T_max  0.6990
_exptl_absorpt_correction_T_min  0.3321
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            'red orange'
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1510
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.309
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     617
_refine_ls_number_reflns         10598
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0303
_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)+(0.0417P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0741
_reflns_number_gt                8490
_reflns_number_total             10598
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701920v-file003.cif
_cod_data_source_block           compound_7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304416
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
O1 O 0.5000 0.5000 0.5000 0.0358(14) Uani 1 2 d S . .
Ta1 Ta 0.402971(16) 0.384911(16) 0.387156(14) 0.02066(6) Uani 1 1 d . . .
Ta2 Ta 0.583282(16) 0.552872(16) 0.408846(14) 0.02052(6) Uani 1 1 d . . .
Ta3 Ta 0.392109(16) 0.609990(16) 0.498869(14) 0.02024(6) Uani 1 1 d . . .
N1 N 0.3136(3) 0.2918(3) 0.2978(3) 0.0260(10) Uani 1 1 d . . .
N2 N 0.6479(3) 0.5998(3) 0.3328(3) 0.0231(10) Uani 1 1 d . . .
N3 N 0.2974(3) 0.6969(3) 0.4944(3) 0.0246(10) Uani 1 1 d . . .
N4 N 0.4167(3) 0.5317(3) 0.3632(3) 0.0220(9) Uani 1 1 d . . .
N5 N 0.3068(3) 0.4621(3) 0.4876(3) 0.0229(10) Uani 1 1 d . . .
N6 N 0.5620(3) 0.3824(3) 0.3627(3) 0.0238(10) Uani 1 1 d . . .
N7 N 0.4515(3) 0.3134(3) 0.4863(3) 0.0223(9) Uani 1 1 d . . .
N8 N 0.5080(6) 0.6028(6) 0.0469(5) 0.087(2) Uiso 1 1 d . . .
Cl1 Cl 0.18175(17) 0.09009(15) -0.02889(11) 0.0632(5) Uani 1 1 d . . .
Cl2 Cl 0.9313(2) 0.5912(3) 0.13829(19) 0.0810(13) Uani 0.749(5) 1 d P . .
Cl3 Cl 0.0830(3) 0.9720(2) 0.6500(2) 0.1242(12) Uani 1 1 d . . .
Cl4 Cl 0.14676(18) 0.44734(19) 0.08355(14) 0.0834(7) Uani 1 1 d . . .
Cl5 Cl -0.01762(13) 0.46238(16) 0.28175(12) 0.0552(5) Uani 1 1 d . . .
Cl6 Cl 0.53467(18) 0.02708(14) 0.12212(14) 0.0738(6) Uani 1 1 d . . .
Cl7 Cl 0.51832(16) -0.06104(13) 0.34754(14) 0.0649(6) Uani 1 1 d . . .
Cl21 Cl 0.7250(8) 0.9021(8) 0.2196(6) 0.082(3) Uiso 0.251(5) 1 d P . .
C11 C 0.2338(4) 0.2280(4) 0.2351(4) 0.0305(13) Uani 1 1 d . . .
C12 C 0.2466(5) 0.1924(4) 0.1460(4) 0.0340(14) Uani 1 1 d . . .
H12 H 0.3110 0.2076 0.1282 0.041 Uiso 1 1 calc R . .
C13 C 0.1645(5) 0.1346(5) 0.0833(4) 0.0415(16) Uani 1 1 d . . .
C14 C 0.0692(5) 0.1123(5) 0.1075(5) 0.0520(19) Uani 1 1 d . . .
H14 H 0.0130 0.0740 0.0635 0.062 Uiso 1 1 calc R . .
C15 C 0.0578(5) 0.1464(5) 0.1952(5) 0.0536(19) Uani 1 1 d . . .
H15 H -0.0068 0.1312 0.2127 0.064 Uiso 1 1 calc R . .
C16 C 0.1397(5) 0.2032(5) 0.2596(4) 0.0421(16) Uani 1 1 d . . .
H16 H 0.1312 0.2251 0.3208 0.050 Uiso 1 1 calc R . .
C21 C 0.6969(4) 0.6421(4) 0.2779(4) 0.0278(12) Uani 1 1 d . . .
C22 C 0.7728(6) 0.5961(6) 0.2331(5) 0.054(2) Uani 1 1 d . . .
H22 H 0.7907 0.5324 0.2374 0.064 Uiso 1 1 calc R . .
C23 C 0.8235(6) 0.6428(8) 0.1816(6) 0.078(3) Uani 1 1 d . . .
C24 C 0.7952(6) 0.7278(7) 0.1670(6) 0.074(3) Uani 1 1 d . . .
H24 H 0.8255 0.7540 0.1261 0.089 Uiso 1 1 calc R . .
C25 C 0.7233(6) 0.7742(6) 0.2119(5) 0.056(2) Uani 1 1 d . . .
H25 H 0.7047 0.8363 0.2045 0.067 Uiso 1 1 calc R . .
C26 C 0.6749(6) 0.7350(5) 0.2686(5) 0.0473(17) Uani 1 1 d . . .
H26 H 0.6263 0.7719 0.3015 0.057 Uiso 1 1 calc R . .
C31 C 0.2199(4) 0.7568(4) 0.4869(4) 0.0327(14) Uani 1 1 d . . .
C32 C 0.1965(5) 0.8289(5) 0.5633(5) 0.0429(16) Uani 1 1 d . . .
H32 H 0.2351 0.8393 0.6199 0.052 Uiso 1 1 calc R . .
C33 C 0.1152(7) 0.8856(6) 0.5553(6) 0.067(2) Uani 1 1 d . . .
C34 C 0.0590(6) 0.8709(7) 0.4718(7) 0.073(3) Uani 1 1 d . . .
H34 H 0.0034 0.9094 0.4671 0.087 Uiso 1 1 calc R . .
C35 C 0.0837(5) 0.8019(6) 0.3977(6) 0.060(2) Uani 1 1 d . . .
H35 H 0.0459 0.7927 0.3411 0.071 Uiso 1 1 calc R . .
C36 C 0.1645(5) 0.7442(5) 0.4042(5) 0.0424(16) Uani 1 1 d . . .
H36 H 0.1817 0.6961 0.3520 0.051 Uiso 1 1 calc R . .
C41 C 0.3683(4) 0.5628(4) 0.2943(3) 0.0212(11) Uani 1 1 d . . .
C42 C 0.2915(4) 0.4977(5) 0.2278(4) 0.0327(13) Uani 1 1 d . . .
H42 H 0.2735 0.4289 0.2263 0.039 Uiso 1 1 calc R . .
C43 C 0.2417(5) 0.5324(5) 0.1646(4) 0.0439(16) Uani 1 1 d . . .
C44 C 0.2628(5) 0.6317(6) 0.1654(4) 0.0507(19) Uani 1 1 d . . .
H44 H 0.2251 0.6548 0.1229 0.061 Uiso 1 1 calc R . .
C45 C 0.3400(5) 0.6981(5) 0.2292(4) 0.0436(16) Uani 1 1 d . . .
H45 H 0.3571 0.7666 0.2297 0.052 Uiso 1 1 calc R . .
C46 C 0.3920(5) 0.6630(5) 0.2924(4) 0.0333(13) Uani 1 1 d . . .
H46 H 0.4452 0.7085 0.3355 0.040 Uiso 1 1 calc R . .
C51 C 0.1984(4) 0.4383(4) 0.4679(3) 0.0200(11) Uani 1 1 d . . .
C52 C 0.1468(4) 0.4616(4) 0.3965(4) 0.0265(12) Uani 1 1 d . . .
H52 H 0.1841 0.4971 0.3652 0.032 Uiso 1 1 calc R . .
C53 C 0.0418(4) 0.4330(5) 0.3718(4) 0.0354(14) Uani 1 1 d . . .
C54 C -0.0162(4) 0.3818(5) 0.4155(4) 0.0358(14) Uani 1 1 d . . .
H54 H -0.0882 0.3618 0.3971 0.043 Uiso 1 1 calc R . .
C55 C 0.0343(4) 0.3607(4) 0.4872(4) 0.0327(13) Uani 1 1 d . . .
H55 H -0.0040 0.3272 0.5194 0.039 Uiso 1 1 calc R . .
C56 C 0.1395(4) 0.3877(4) 0.5125(4) 0.0301(13) Uani 1 1 d . . .
H56 H 0.1724 0.3715 0.5613 0.036 Uiso 1 1 calc R . .
C61 C 0.6078(4) 0.3122(4) 0.2969(3) 0.0215(11) Uani 1 1 d . . .
C62 C 0.5545(5) 0.2147(4) 0.2453(4) 0.0327(13) Uani 1 1 d . . .
H62 H 0.4850 0.1967 0.2513 0.039 Uiso 1 1 calc R . .
C63 C 0.6044(5) 0.1460(4) 0.1863(4) 0.0372(15) Uani 1 1 d . . .
C64 C 0.7058(5) 0.1674(5) 0.1757(4) 0.0443(16) Uani 1 1 d . . .
H64 H 0.7388 0.1178 0.1353 0.053 Uiso 1 1 calc R . .
C65 C 0.7569(5) 0.2622(5) 0.2251(4) 0.0356(14) Uani 1 1 d . . .
H65 H 0.8258 0.2795 0.2172 0.043 Uiso 1 1 calc R . .
C66 C 0.7112(4) 0.3335(5) 0.2863(4) 0.0306(13) Uani 1 1 d . . .
H66 H 0.7499 0.3976 0.3216 0.037 Uiso 1 1 calc R . .
C71 C 0.4185(4) 0.2070(4) 0.4681(3) 0.0209(11) Uani 1 1 d . . .
C72 C 0.4782(5) 0.1319(4) 0.4256(4) 0.0339(14) Uani 1 1 d . . .
H72 H 0.5435 0.1518 0.4118 0.041 Uiso 1 1 calc R . .
C73 C 0.4419(5) 0.0289(4) 0.4037(4) 0.0395(15) Uani 1 1 d . . .
C74 C 0.3499(5) -0.0042(5) 0.4236(4) 0.0449(17) Uani 1 1 d . . .
H74 H 0.3277 -0.0757 0.4089 0.054 Uiso 1 1 calc R . .
C75 C 0.2904(6) 0.0681(5) 0.4651(5) 0.0532(19) Uani 1 1 d . . .
H75 H 0.2255 0.0464 0.4786 0.064 Uiso 1 1 calc R . .
C76 C 0.3235(5) 0.1731(4) 0.4878(4) 0.0382(15) Uani 1 1 d . . .
H76 H 0.2812 0.2221 0.5169 0.046 Uiso 1 1 calc R . .
C81 C 0.2482(8) -0.0644(7) 0.1698(8) 0.084(3) Uani 1 1 d . . .
H81 H 0.3067 -0.0178 0.2037 0.101 Uiso 1 1 calc R . .
C82 C 0.2444(8) -0.1127(8) 0.0796(8) 0.082(3) Uani 1 1 d . . .
H82 H 0.3015 -0.0985 0.0520 0.098 Uiso 1 1 calc R . .
C83 C 0.1638(8) -0.1787(8) 0.0293(7) 0.083(3) Uani 1 1 d . . .
H83 H 0.1627 -0.2112 -0.0329 0.099 Uiso 1 1 calc R . .
C84 C 0.0823(7) -0.1974(7) 0.0715(6) 0.076(3) Uani 1 1 d . . .
H84 H 0.0237 -0.2447 0.0385 0.092 Uiso 1 1 calc R . .
C85 C 0.0856(8) -0.1483(9) 0.1606(7) 0.086(3) Uani 1 1 d . . .
H85 H 0.0279 -0.1599 0.1887 0.103 Uiso 1 1 calc R . .
C86 C 0.1676(8) -0.0846(8) 0.2087(7) 0.080(3) Uani 1 1 d . . .
H86 H 0.1693 -0.0532 0.2711 0.096 Uiso 1 1 calc R . .
C91 C 0.4839(6) 0.6560(6) -0.0214(5) 0.060(2) Uiso 1 1 d . . .
C93 C 0.5105(8) 0.7745(9) 0.0252(7) 0.098(3) Uiso 1 1 d . . .
C92 C 0.5388(9) 0.6171(9) -0.1005(7) 0.106(4) Uiso 1 1 d . . .
C94 C 0.3668(9) 0.6254(9) -0.0524(8) 0.112(4) 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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 '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
Ta3 O1 Ta1 90.090(9) . . ?
Ta3 O1 Ta2 89.801(9) . . ?
Ta1 O1 Ta2 90.025(9) . . ?
N1 Ta1 N6 112.89(18) . . ?
N1 Ta1 O1 175.50(14) . . ?
N6 Ta1 O1 71.61(11) . . ?
N1 Ta1 N4 109.18(18) . . ?
N6 Ta1 N4 84.60(16) . . ?
O1 Ta1 N4 70.87(11) . . ?
N1 Ta1 N7 108.80(18) . . ?
N6 Ta1 N7 84.17(16) . . ?
O1 Ta1 N7 70.97(11) . . ?
N4 Ta1 N7 141.83(15) . . ?
N1 Ta1 N5 105.29(17) . . ?
N6 Ta1 N5 141.81(15) . . ?
O1 Ta1 N5 70.21(10) . . ?
N4 Ta1 N5 83.87(16) . . ?
N7 Ta1 N5 82.81(15) . . ?
N1 Ta1 Ta3 131.99(13) . . ?
N6 Ta1 Ta3 104.44(11) . . ?
N7 Ta1 Ta3 103.87(11) . . ?
N1 Ta1 Ta2 138.12(14) . . ?
N7 Ta1 Ta2 104.20(11) . . ?
N5 Ta1 Ta2 103.74(11) . . ?
Ta3 Ta1 Ta2 59.840(8) . . ?
N2 Ta2 O1 177.57(13) . . ?
N2 Ta2 N4 107.68(17) . . ?
O1 Ta2 N4 70.36(11) . . ?
N2 Ta2 N6 110.68(17) . . ?
O1 Ta2 N6 70.73(11) . . ?
N4 Ta2 N6 83.17(15) . . ?
N2 Ta2 Ta3 132.70(13) . . ?
N6 Ta2 Ta3 103.50(11) . . ?
N2 Ta2 Ta1 134.68(14) . . ?
Ta3 Ta2 Ta1 59.937(8) . . ?
N3 Ta3 O1 177.23(14) . . ?
N3 Ta3 N4 107.33(17) . . ?
O1 Ta3 N4 71.18(11) . . ?
N3 Ta3 N5 106.86(18) . . ?
O1 Ta3 N5 70.81(11) . . ?
N4 Ta3 N5 84.64(16) . . ?
N3 Ta3 Ta2 135.28(13) . . ?
N5 Ta3 Ta2 104.73(11) . . ?
N3 Ta3 Ta1 132.24(14) . . ?
Ta2 Ta3 Ta1 60.222(7) . . ?
C11 N1 Ta1 171.6(4) . . ?
C21 N2 Ta2 176.4(4) . . ?
C31 N3 Ta3 175.7(4) . . ?
C41 N4 Ta3 118.5(3) . . ?
C41 N4 Ta1 131.6(3) . . ?
Ta3 N4 Ta1 90.00(16) . . ?
C41 N4 Ta2 125.9(3) . . ?
Ta3 N4 Ta2 89.35(15) . . ?
Ta1 N4 Ta2 89.57(15) . . ?
C51 N5 Ta3 124.6(3) . . ?
C51 N5 Ta1 119.1(3) . . ?
Ta3 N5 Ta1 88.53(15) . . ?
C61 N6 Ta1 131.0(3) . . ?
C61 N6 Ta2 129.3(3) . . ?
Ta1 N6 Ta2 89.33(15) . . ?
C71 N7 Ta1 118.9(3) . . ?
C12 C11 C16 119.4(5) . . ?
C12 C11 N1 119.5(5) . . ?
C16 C11 N1 121.0(5) . . ?
C13 C12 C11 119.2(6) . . ?
C12 C13 C14 121.6(6) . . ?
C12 C13 Cl1 118.7(5) . . ?
C14 C13 Cl1 119.7(5) . . ?
C15 C14 C13 118.8(6) . . ?
C14 C15 C16 120.7(7) . . ?
C11 C16 C15 120.4(6) . . ?
C22 C21 N2 121.4(5) . . ?
C22 C21 C26 116.9(6) . . ?
N2 C21 C26 121.6(5) . . ?
C21 C22 C23 120.0(7) . . ?
C24 C23 C22 122.4(7) . . ?
C24 C23 Cl2 119.2(6) . . ?
C22 C23 Cl2 118.4(6) . . ?
C25 C24 C23 117.7(7) . . ?
C24 C25 C26 122.2(7) . . ?
C24 C25 Cl21 113.5(7) . . ?
C26 C25 Cl21 121.5(7) . . ?
C25 C26 C21 120.4(6) . . ?
N3 C31 C36 120.6(5) . . ?
N3 C31 C32 119.3(5) . . ?
C36 C31 C32 120.1(6) . . ?
C31 C32 C33 118.7(7) . . ?
C32 C33 C34 120.6(7) . . ?
C32 C33 Cl3 119.0(7) . . ?
C34 C33 Cl3 120.4(6) . . ?
C35 C34 C33 120.2(7) . . ?
C34 C35 C36 120.2(8) . . ?
C31 C36 C35 120.2(7) . . ?
C42 C41 C46 116.9(5) . . ?
C42 C41 N4 122.1(5) . . ?
C46 C41 N4 120.9(5) . . ?
C43 C42 C41 120.6(6) . . ?
C44 C43 C42 121.9(6) . . ?
C44 C43 Cl4 119.7(5) . . ?
C42 C43 Cl4 118.4(5) . . ?
C43 C44 C45 119.2(6) . . ?
C44 C45 C46 119.2(6) . . ?
C45 C46 C41 122.1(6) . . ?
C56 C51 C52 117.6(5) . . ?
C56 C51 N5 123.6(5) . . ?
C52 C51 N5 118.8(4) . . ?
C53 C52 C51 120.1(5) . . ?
C52 C53 C54 122.2(5) . . ?
C52 C53 Cl5 118.0(5) . . ?
C54 C53 Cl5 119.8(5) . . ?
C53 C54 C55 117.7(5) . . ?
C56 C55 C54 121.0(5) . . ?
C55 C56 C51 121.4(5) . . ?
C66 C61 C62 117.7(5) . . ?
C66 C61 N6 121.1(5) . . ?
C62 C61 N6 121.0(5) . . ?
C63 C62 C61 119.2(5) . . ?
C62 C63 C64 123.0(6) . . ?
C62 C63 Cl6 117.6(5) . . ?
C64 C63 Cl6 119.4(5) . . ?
C65 C64 C63 117.8(6) . . ?
C64 C65 C66 121.7(6) . . ?
C65 C66 C61 120.7(5) . . ?
C72 C71 C76 117.5(5) . . ?
C72 C71 N7 120.8(5) . . ?
C76 C71 N7 121.6(5) . . ?
C73 C72 C71 119.8(6) . . ?
C74 C73 C72 122.7(6) . . ?
C74 C73 Cl7 119.8(5) . . ?
C72 C73 Cl7 117.5(5) . . ?
C73 C74 C75 118.4(6) . . ?
C74 C75 C76 121.0(6) . . ?
C75 C76 C71 120.6(6) . . ?
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
O1 Ta3 2.1658(2) . ?
O1 Ta1 2.1741(2) . ?
O1 Ta2 2.1808(2) . ?
Ta1 N1 1.811(4) . ?
Ta1 N6 2.171(4) . ?
Ta1 N4 2.176(4) . ?
Ta1 N7 2.187(4) . ?
Ta1 N5 2.212(4) . ?
Ta1 Ta3 3.0712(4) . ?
Ta1 Ta2 3.0800(3) . ?
Ta2 N2 1.806(4) . ?
Ta2 N4 2.196(4) . ?
Ta2 N6 2.211(4) . ?
Ta2 Ta3 3.0682(3) . ?
Ta3 N3 1.811(4) . ?
Ta3 N4 2.167(4) . ?
Ta3 N5 2.188(4) . ?
N1 C11 1.389(7) . ?
N2 C21 1.384(7) . ?
N3 C31 1.385(7) . ?
N4 C41 1.414(6) . ?
N5 C51 1.413(6) . ?
N6 C61 1.410(6) . ?
N7 C71 1.421(6) . ?
N8 C91 1.520(10) . ?
Cl1 C13 1.750(6) . ?
Cl2 C23 1.751(7) . ?
Cl3 C33 1.722(8) . ?
Cl4 C43 1.743(7) . ?
Cl5 C53 1.742(6) . ?
Cl6 C63 1.745(6) . ?
Cl7 C73 1.746(6) . ?
Cl21 C25 1.727(12) . ?
C11 C12 1.385(8) . ?
C11 C16 1.386(8) . ?
C12 C13 1.383(8) . ?
C13 C14 1.390(9) . ?
C14 C15 1.360(10) . ?
C15 C16 1.391(8) . ?
C21 C22 1.373(8) . ?
C21 C26 1.387(8) . ?
C22 C23 1.387(9) . ?
C23 C24 1.341(11) . ?
C24 C25 1.333(10) . ?
C25 C26 1.380(9) . ?
C31 C36 1.390(8) . ?
C31 C32 1.391(8) . ?
C32 C33 1.396(9) . ?
C33 C34 1.399(12) . ?
C34 C35 1.352(12) . ?
C35 C36 1.394(9) . ?
C41 C42 1.399(7) . ?
C41 C46 1.403(8) . ?
C42 C43 1.379(8) . ?
C43 C44 1.371(10) . ?
C44 C45 1.389(9) . ?
C45 C46 1.394(8) . ?
C51 C56 1.395(7) . ?
C51 C52 1.403(7) . ?
C52 C53 1.380(8) . ?
C53 C54 1.383(8) . ?
C54 C55 1.386(8) . ?
C55 C56 1.381(8) . ?
C61 C66 1.406(7) . ?
C61 C62 1.409(7) . ?
C62 C63 1.374(8) . ?
C63 C64 1.382(9) . ?
C64 C65 1.364(9) . ?
C65 C66 1.378(8) . ?
C71 C72 1.398(7) . ?
C71 C76 1.401(7) . ?
C72 C73 1.378(8) . ?
C73 C74 1.362(9) . ?
C74 C75 1.367(9) . ?
C75 C76 1.393(8) . ?
C81 C86 1.339(13) . ?
C81 C82 1.375(13) . ?
C82 C83 1.334(13) . ?
C83 C84 1.376(12) . ?
C84 C85 1.362(12) . ?
C85 C86 1.324(13) . ?
C91 C92 1.497(12) . ?
C91 C94 1.544(13) . ?
C91 C93 1.555(13) . ?
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
Ta3 O1 Ta1 N6 134.99(12) . . . . ?
Ta2 O1 Ta1 N6 45.19(12) . . . . ?
Ta3 O1 Ta1 N4 44.39(12) . . . . ?
Ta2 O1 Ta1 N4 -45.41(12) . . . . ?
Ta3 O1 Ta1 N7 -134.93(12) . . . . ?
Ta2 O1 Ta1 N7 135.27(12) . . . . ?
Ta3 O1 Ta1 N5 -45.88(12) . . . . ?
Ta2 O1 Ta1 N5 -135.69(12) . . . . ?
Ta2 O1 Ta1 Ta3 -89.801(9) . . . . ?
Ta3 O1 Ta1 Ta2 89.801(9) . . . . ?
Ta3 O1 Ta2 N4 -45.04(11) . . . . ?
Ta1 O1 Ta2 N4 45.05(11) . . . . ?
Ta3 O1 Ta2 N6 -134.53(12) . . . . ?
Ta1 O1 Ta2 N6 -44.44(12) . . . . ?
Ta1 O1 Ta2 Ta3 90.090(9) . . . . ?
N1 Ta1 Ta2 N2 -1.2(3) . . . . ?
N6 Ta1 Ta2 N2 73.1(2) . . . . ?
O1 Ta1 Ta2 N2 -176.63(19) . . . . ?
N4 Ta1 Ta2 N2 -67.3(2) . . . . ?
N7 Ta1 Ta2 N2 140.0(2) . . . . ?
N5 Ta1 Ta2 N2 -134.0(2) . . . . ?
Ta3 Ta1 Ta2 N2 -121.98(19) . . . . ?
N1 Ta1 Ta2 O1 175.4(2) . . . . ?
N6 Ta1 Ta2 O1 -110.29(16) . . . . ?
N4 Ta1 Ta2 O1 109.35(15) . . . . ?
N7 Ta1 Ta2 O1 -43.34(11) . . . . ?
N5 Ta1 Ta2 O1 42.59(11) . . . . ?
Ta3 Ta1 Ta2 O1 54.648(7) . . . . ?
N1 Ta1 Ta2 N4 66.0(3) . . . . ?
N6 Ta1 Ta2 N4 140.4(2) . . . . ?
O1 Ta1 Ta2 N4 -109.35(15) . . . . ?
N7 Ta1 Ta2 N4 -152.69(19) . . . . ?
N5 Ta1 Ta2 N4 -66.76(19) . . . . ?
Ta3 Ta1 Ta2 N4 -54.70(15) . . . . ?
N1 Ta1 Ta2 N6 -74.3(3) . . . . ?
O1 Ta1 Ta2 N6 110.29(16) . . . . ?
N4 Ta1 Ta2 N6 -140.4(2) . . . . ?
N7 Ta1 Ta2 N6 66.95(19) . . . . ?
N5 Ta1 Ta2 N6 152.88(19) . . . . ?
Ta3 Ta1 Ta2 N6 164.94(16) . . . . ?
N1 Ta1 Ta2 Ta3 120.7(2) . . . . ?
N6 Ta1 Ta2 Ta3 -164.94(16) . . . . ?
O1 Ta1 Ta2 Ta3 -54.648(7) . . . . ?
N4 Ta1 Ta2 Ta3 54.70(15) . . . . ?
N7 Ta1 Ta2 Ta3 -97.99(11) . . . . ?
N5 Ta1 Ta2 Ta3 -12.06(11) . . . . ?
Ta1 O1 Ta3 N4 -44.50(12) . . . . ?
Ta2 O1 Ta3 N4 45.52(12) . . . . ?
Ta1 O1 Ta3 N5 46.31(12) . . . . ?
Ta2 O1 Ta3 N5 136.34(12) . . . . ?
Ta1 O1 Ta3 Ta2 -90.024(9) . . . . ?
Ta2 O1 Ta3 Ta1 90.024(9) . . . . ?
N2 Ta2 Ta3 N3 3.3(3) . . . . ?
O1 Ta2 Ta3 N3 -176.2(2) . . . . ?
N4 Ta2 Ta3 N3 -66.8(3) . . . . ?
N6 Ta2 Ta3 N3 -132.4(2) . . . . ?
Ta1 Ta2 Ta3 N3 -121.5(2) . . . . ?
N2 Ta2 Ta3 O1 179.49(18) . . . . ?
N4 Ta2 Ta3 O1 109.35(15) . . . . ?
N6 Ta2 Ta3 O1 43.79(11) . . . . ?
Ta1 Ta2 Ta3 O1 54.645(8) . . . . ?
N2 Ta2 Ta3 N4 70.1(2) . . . . ?
O1 Ta2 Ta3 N4 -109.35(15) . . . . ?
N6 Ta2 Ta3 N4 -65.56(19) . . . . ?
Ta1 Ta2 Ta3 N4 -54.71(15) . . . . ?
N2 Ta2 Ta3 N5 137.1(2) . . . . ?
O1 Ta2 Ta3 N5 -42.39(11) . . . . ?
N4 Ta2 Ta3 N5 66.96(19) . . . . ?
N6 Ta2 Ta3 N5 1.40(16) . . . . ?
Ta1 Ta2 Ta3 N5 12.25(11) . . . . ?
N2 Ta2 Ta3 Ta1 124.85(18) . . . . ?
O1 Ta2 Ta3 Ta1 -54.645(8) . . . . ?
N4 Ta2 Ta3 Ta1 54.71(15) . . . . ?
N6 Ta2 Ta3 Ta1 -10.85(11) . . . . ?
N1 Ta1 Ta3 N3 -3.6(3) . . . . ?
N6 Ta1 Ta3 N3 137.0(2) . . . . ?
O1 Ta1 Ta3 N3 -179.13(18) . . . . ?
N4 Ta1 Ta3 N3 70.3(2) . . . . ?
N7 Ta1 Ta3 N3 -135.5(2) . . . . ?
N5 Ta1 Ta3 N3 -70.7(2) . . . . ?
Ta2 Ta1 Ta3 N3 125.90(18) . . . . ?
N1 Ta1 Ta3 O1 175.57(19) . . . . ?
N6 Ta1 Ta3 O1 -43.87(12) . . . . ?
N4 Ta1 Ta3 O1 -110.53(15) . . . . ?
N7 Ta1 Ta3 O1 43.58(11) . . . . ?
N5 Ta1 Ta3 O1 108.47(15) . . . . ?
Ta2 Ta1 Ta3 O1 -54.974(8) . . . . ?
N1 Ta1 Ta3 N4 -73.9(2) . . . . ?
N6 Ta1 Ta3 N4 66.66(19) . . . . ?
O1 Ta1 Ta3 N4 110.53(15) . . . . ?
N7 Ta1 Ta3 N4 154.12(19) . . . . ?
N5 Ta1 Ta3 N4 -141.0(2) . . . . ?
Ta2 Ta1 Ta3 N4 55.56(15) . . . . ?
N1 Ta1 Ta3 N5 67.1(2) . . . . ?
N6 Ta1 Ta3 N5 -152.34(19) . . . . ?
O1 Ta1 Ta3 N5 -108.47(15) . . . . ?
N4 Ta1 Ta3 N5 141.0(2) . . . . ?
N7 Ta1 Ta3 N5 -64.88(19) . . . . ?
Ta2 Ta1 Ta3 N5 -163.44(15) . . . . ?
N1 Ta1 Ta3 Ta2 -129.46(19) . . . . ?
N6 Ta1 Ta3 Ta2 11.10(12) . . . . ?
O1 Ta1 Ta3 Ta2 54.974(8) . . . . ?
N4 Ta1 Ta3 Ta2 -55.56(15) . . . . ?
N7 Ta1 Ta3 Ta2 98.56(11) . . . . ?
N5 Ta1 Ta3 Ta2 163.44(15) . . . . ?
N3 Ta3 N4 C41 6.0(4) . . . . ?
O1 Ta3 N4 C41 -176.5(4) . . . . ?
N5 Ta3 N4 C41 112.0(4) . . . . ?
Ta2 Ta3 N4 C41 -131.4(4) . . . . ?
Ta1 Ta3 N4 C41 139.1(4) . . . . ?
N3 Ta3 N4 Ta1 -133.08(17) . . . . ?
O1 Ta3 N4 Ta1 44.46(8) . . . . ?
N5 Ta3 N4 Ta1 -27.07(15) . . . . ?
Ta2 Ta3 N4 Ta1 89.57(15) . . . . ?
N3 Ta3 N4 Ta2 137.35(17) . . . . ?
O1 Ta3 N4 Ta2 -45.11(8) . . . . ?
N5 Ta3 N4 Ta2 -116.64(15) . . . . ?
Ta1 Ta3 N4 Ta2 -89.57(15) . . . . ?
N1 Ta1 N4 C41 1.3(5) . . . . ?
N6 Ta1 N4 C41 113.6(4) . . . . ?
O1 Ta1 N4 C41 -174.0(4) . . . . ?
N7 Ta1 N4 C41 -172.9(4) . . . . ?
N5 Ta1 N4 C41 -102.8(4) . . . . ?
Ta3 Ta1 N4 C41 -129.6(5) . . . . ?
Ta2 Ta1 N4 C41 141.0(5) . . . . ?
N1 Ta1 N4 Ta3 130.88(17) . . . . ?
N6 Ta1 N4 Ta3 -116.73(15) . . . . ?
O1 Ta1 N4 Ta3 -44.35(8) . . . . ?
N7 Ta1 N4 Ta3 -43.3(3) . . . . ?
N5 Ta1 N4 Ta3 26.79(14) . . . . ?
Ta2 Ta1 N4 Ta3 -89.35(15) . . . . ?
N1 Ta1 N4 Ta2 -139.77(17) . . . . ?
N6 Ta1 N4 Ta2 -27.38(15) . . . . ?
O1 Ta1 N4 Ta2 45.00(8) . . . . ?
N7 Ta1 N4 Ta2 46.0(3) . . . . ?
N5 Ta1 N4 Ta2 116.14(15) . . . . ?
Ta3 Ta1 N4 Ta2 89.35(15) . . . . ?
N2 Ta2 N4 C41 -8.0(4) . . . . ?
O1 Ta2 N4 C41 170.5(4) . . . . ?
N6 Ta2 N4 C41 -117.6(4) . . . . ?
Ta3 Ta2 N4 C41 125.5(4) . . . . ?
Ta1 Ta2 N4 C41 -144.5(5) . . . . ?
N2 Ta2 N4 Ta3 -133.49(17) . . . . ?
O1 Ta2 N4 Ta3 45.01(9) . . . . ?
N6 Ta2 N4 Ta3 116.93(16) . . . . ?
Ta1 Ta2 N4 Ta3 90.01(16) . . . . ?
N2 Ta2 N4 Ta1 136.50(17) . . . . ?
O1 Ta2 N4 Ta1 -45.00(9) . . . . ?
N6 Ta2 N4 Ta1 26.92(15) . . . . ?
Ta3 Ta2 N4 Ta1 -90.01(16) . . . . ?
N3 Ta3 N5 C51 8.1(4) . . . . ?
O1 Ta3 N5 C51 -170.3(4) . . . . ?
N4 Ta3 N5 C51 -98.4(4) . . . . ?
Ta2 Ta3 N5 C51 -139.8(4) . . . . ?
Ta1 Ta3 N5 C51 -125.0(4) . . . . ?
N3 Ta3 N5 Ta1 133.12(16) . . . . ?
O1 Ta3 N5 Ta1 -45.31(8) . . . . ?
N4 Ta3 N5 Ta1 26.60(14) . . . . ?
Ta2 Ta3 N5 Ta1 -14.82(13) . . . . ?
N1 Ta1 N5 C51 -5.3(4) . . . . ?
N6 Ta1 N5 C51 176.1(3) . . . . ?
O1 Ta1 N5 C51 174.8(4) . . . . ?
N4 Ta1 N5 C51 102.9(4) . . . . ?
N7 Ta1 N5 C51 -112.9(4) . . . . ?
Ta3 Ta1 N5 C51 129.5(4) . . . . ?
Ta2 Ta1 N5 C51 144.2(3) . . . . ?
N1 Ta1 N5 Ta3 -134.78(17) . . . . ?
N6 Ta1 N5 Ta3 46.6(3) . . . . ?
O1 Ta1 N5 Ta3 45.31(8) . . . . ?
N4 Ta1 N5 Ta3 -26.53(15) . . . . ?
N7 Ta1 N5 Ta3 117.62(15) . . . . ?
Ta2 Ta1 N5 Ta3 14.70(13) . . . . ?
N1 Ta1 N6 C61 -10.4(5) . . . . ?
O1 Ta1 N6 C61 169.4(5) . . . . ?
N4 Ta1 N6 C61 -119.0(4) . . . . ?
N7 Ta1 N6 C61 97.6(4) . . . . ?
N5 Ta1 N6 C61 168.1(4) . . . . ?
Ta3 Ta1 N6 C61 -159.6(4) . . . . ?
Ta2 Ta1 N6 C61 -146.1(5) . . . . ?
N1 Ta1 N6 Ta2 135.75(17) . . . . ?
O1 Ta1 N6 Ta2 -44.41(9) . . . . ?
N4 Ta1 N6 Ta2 27.19(15) . . . . ?
N7 Ta1 N6 Ta2 -116.27(16) . . . . ?
N5 Ta1 N6 Ta2 -45.7(3) . . . . ?
Ta3 Ta1 N6 Ta2 -13.41(14) . . . . ?
N2 Ta2 N6 C61 13.7(5) . . . . ?
O1 Ta2 N6 C61 -168.4(4) . . . . ?
N4 Ta2 N6 C61 120.1(4) . . . . ?
Ta3 Ta2 N6 C61 160.5(4) . . . . ?
Ta1 Ta2 N6 C61 147.1(5) . . . . ?
N2 Ta2 N6 Ta1 -133.36(17) . . . . ?
O1 Ta2 N6 Ta1 44.54(9) . . . . ?
N4 Ta2 N6 Ta1 -26.99(15) . . . . ?
Ta3 Ta2 N6 Ta1 13.37(14) . . . . ?
N1 Ta1 N7 C71 5.5(4) . . . . ?
N6 Ta1 N7 C71 -106.7(4) . . . . ?
O1 Ta1 N7 C71 -179.3(4) . . . . ?
N4 Ta1 N7 C71 179.7(3) . . . . ?
N5 Ta1 N7 C71 109.2(4) . . . . ?
Ta3 Ta1 N7 C71 149.8(3) . . . . ?
Ta2 Ta1 N7 C71 -148.3(3) . . . . ?
C16 C11 C12 C13 1.3(9) . . . . ?
N1 C11 C12 C13 -175.7(5) . . . . ?
C11 C12 C13 C14 0.6(10) . . . . ?
C11 C12 C13 Cl1 -179.9(4) . . . . ?
C12 C13 C14 C15 -1.5(10) . . . . ?
Cl1 C13 C14 C15 179.0(6) . . . . ?
C13 C14 C15 C16 0.5(11) . . . . ?
C12 C11 C16 C15 -2.4(9) . . . . ?
N1 C11 C16 C15 174.6(6) . . . . ?
C14 C15 C16 C11 1.5(11) . . . . ?
N2 C21 C22 C23 -177.2(7) . . . . ?
C26 C21 C22 C23 -0.1(11) . . . . ?
C21 C22 C23 C24 -5.9(15) . . . . ?
C21 C22 C23 Cl2 171.3(6) . . . . ?
C22 C23 C24 C25 7.4(16) . . . . ?
Cl2 C23 C24 C25 -169.9(7) . . . . ?
C23 C24 C25 C26 -3.0(14) . . . . ?
C23 C24 C25 Cl21 158.3(9) . . . . ?
C24 C25 C26 C21 -2.9(12) . . . . ?
Cl21 C25 C26 C21 -162.7(7) . . . . ?
C22 C21 C26 C25 4.3(10) . . . . ?
N2 C21 C26 C25 -178.6(6) . . . . ?
N3 C31 C32 C33 -177.2(6) . . . . ?
C36 C31 C32 C33 1.6(10) . . . . ?
C31 C32 C33 C34 -0.6(11) . . . . ?
C31 C32 C33 Cl3 178.0(5) . . . . ?
C32 C33 C34 C35 -0.5(12) . . . . ?
Cl3 C33 C34 C35 -179.1(6) . . . . ?
C33 C34 C35 C36 0.7(12) . . . . ?
N3 C31 C36 C35 177.3(6) . . . . ?
C32 C31 C36 C35 -1.5(9) . . . . ?
C34 C35 C36 C31 0.3(10) . . . . ?
Ta3 N4 C41 C42 -114.1(5) . . . . ?
Ta1 N4 C41 C42 4.7(7) . . . . ?
Ta2 N4 C41 C42 133.7(4) . . . . ?
Ta3 N4 C41 C46 62.6(6) . . . . ?
Ta1 N4 C41 C46 -178.6(4) . . . . ?
Ta2 N4 C41 C46 -49.5(6) . . . . ?
C46 C41 C42 C43 -0.6(8) . . . . ?
N4 C41 C42 C43 176.3(5) . . . . ?
C41 C42 C43 C44 -1.9(10) . . . . ?
C41 C42 C43 Cl4 180.0(5) . . . . ?
C42 C43 C44 C45 3.1(10) . . . . ?
Cl4 C43 C44 C45 -178.7(5) . . . . ?
C43 C44 C45 C46 -1.9(10) . . . . ?
C44 C45 C46 C41 -0.6(9) . . . . ?
C42 C41 C46 C45 1.8(8) . . . . ?
N4 C41 C46 C45 -175.1(5) . . . . ?
Ta3 N5 C51 C56 -136.0(4) . . . . ?
Ta1 N5 C51 C56 113.6(5) . . . . ?
Ta3 N5 C51 C52 47.5(6) . . . . ?
Ta1 N5 C51 C52 -62.9(5) . . . . ?
C56 C51 C52 C53 -1.1(8) . . . . ?
N5 C51 C52 C53 175.6(5) . . . . ?
C51 C52 C53 C54 0.4(9) . . . . ?
C51 C52 C53 Cl5 -179.1(4) . . . . ?
C52 C53 C54 C55 0.9(9) . . . . ?
Cl5 C53 C54 C55 -179.5(5) . . . . ?
C53 C54 C55 C56 -1.6(9) . . . . ?
C54 C55 C56 C51 0.9(9) . . . . ?
C52 C51 C56 C55 0.5(8) . . . . ?
N5 C51 C56 C55 -176.1(5) . . . . ?
Ta1 N6 C61 C66 171.3(4) . . . . ?
Ta2 N6 C61 C66 37.4(7) . . . . ?
Ta1 N6 C61 C62 -14.6(7) . . . . ?
Ta2 N6 C61 C62 -148.5(4) . . . . ?
C66 C61 C62 C63 -1.2(8) . . . . ?
N6 C61 C62 C63 -175.6(5) . . . . ?
C61 C62 C63 C64 0.9(10) . . . . ?
C61 C62 C63 Cl6 -178.7(4) . . . . ?
C62 C63 C64 C65 -1.5(10) . . . . ?
Cl6 C63 C64 C65 178.2(5) . . . . ?
C63 C64 C65 C66 2.4(10) . . . . ?
C64 C65 C66 C61 -2.8(10) . . . . ?
C62 C61 C66 C65 2.1(8) . . . . ?
N6 C61 C66 C65 176.5(5) . . . . ?
Ta1 N7 C71 C72 90.8(5) . . . . ?
Ta1 N7 C71 C76 -86.0(6) . . . . ?
C76 C71 C72 C73 0.9(8) . . . . ?
N7 C71 C72 C73 -176.1(5) . . . . ?
C71 C72 C73 C74 -1.6(10) . . . . ?
C71 C72 C73 Cl7 178.0(4) . . . . ?
C72 C73 C74 C75 1.6(10) . . . . ?
Cl7 C73 C74 C75 -178.0(5) . . . . ?
C73 C74 C75 C76 -1.0(11) . . . . ?
C74 C75 C76 C71 0.4(11) . . . . ?
C72 C71 C76 C75 -0.3(9) . . . . ?
N7 C71 C76 C75 176.6(6) . . . . ?
