#------------------------------------------------------------------------------
#$Date: 2017-09-16 05:40:52 +0300 (Sat, 16 Sep 2017) $
#$Revision: 200954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/42/7044251.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_7044251
loop_
_publ_author_name
'Payel, Laskar'
'yamamoto, Keishi'
'Srinivas, Anga'
'Mifleur, Alexis'
'Nagae, Haruki'
'Tsurugi, Hayato'
'Mashima, Kazushi'
_publ_section_title
;
 Tantallacyclopentadiene as a Unique Metal-containing Diene Ligand
 Coordinated to Nickel for Preparing Tantalum---Nickel Heterobimetallic
 Complexes
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02481A
_journal_year                    2017
_chemical_formula_moiety         'C85 H97 Cl6 Ni2 P4 Ta2'
_chemical_formula_sum            'C85 H97 Cl6 Ni2 P4 Ta2'
_chemical_formula_weight         1934.61
_chemical_properties_physical    ', Air-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2017-06-02 deposited with the CCDC.
2017-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                93.510(18)
_cell_angle_beta                 91.040(12)
_cell_angle_gamma                95.950(17)
_cell_formula_units_Z            2
_cell_length_a                   13.970(12)
_cell_length_b                   15.590(14)
_cell_length_c                   19.400(17)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      3.02
_cell_volume                     4193(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36920
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.330
_diffrn_reflns_theta_min         3.017
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.348
_exptl_absorpt_correction_T_max  0.605
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1942.00
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     892
_refine_ls_number_reflns         16664
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0423P)²+7.4729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                13524
_reflns_number_total             16664
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c7dt02481a2.cif
_cod_data_source_block           complex6a
_cod_database_code               7044251
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ta1 Ta -0.13690(2) 0.54153(2) 0.34245(2) 0.02507(8) Uani 1 2 d .
Ta2 Ta 0.59619(2) 0.97067(2) 0.82132(2) 0.02569(8) Uani 1 2 d .
Ni1 Ni 0.04016(5) 0.64795(5) 0.31992(3) 0.02077(16) Uani 1 2 d .
Ni2 Ni 0.42029(5) 0.86790(5) 0.78487(4) 0.02275(16) Uani 1 2 d .
Cl1 Cl -0.17291(13) 0.47423(13) 0.44991(9) 0.0486(5) Uani 1 2 d .
Cl2 Cl -0.31288(11) 0.51356(11) 0.33006(9) 0.0395(4) Uani 1 2 d .
Cl3 Cl -0.14695(12) 0.50662(11) 0.22144(8) 0.0375(4) Uani 1 2 d .
Cl4 Cl 0.63715(14) 1.03403(14) 0.93504(9) 0.0521(5) Uani 1 2 d .
Cl5 Cl 0.77127(12) 0.98408(14) 0.80950(10) 0.0510(5) Uani 1 2 d .
Cl6 Cl 0.60891(11) 1.01516(10) 0.70453(7) 0.0320(3) Uani 1 2 d .
P1 P 0.16099(11) 0.74950(10) 0.34600(8) 0.0245(3) Uani 1 2 d .
P2 P 0.07125(11) 0.66018(10) 0.20942(7) 0.0249(3) Uani 1 2 d .
P3 P 0.28069(12) 0.79271(11) 0.79956(8) 0.0282(3) Uani 1 2 d .
P4 P 0.41097(11) 0.82206(10) 0.67465(7) 0.0233(3) Uani 1 2 d .
C1 C -0.1066(4) 0.6710(4) 0.3602(3) 0.0236(12) Uani 1 2 d .
C2 C -0.0360(4) 0.6504(4) 0.4091(3) 0.0248(13) Uani 1 2 d .
C3 C 0.0179(4) 0.5723(4) 0.4019(3) 0.0244(13) Uani 1 2 d .
C4 C 0.0050(4) 0.5123(4) 0.3445(3) 0.0246(13) Uani 1 2 d .
C5 C -0.1578(4) 0.7540(4) 0.3666(3) 0.0276(13) Uani 1 2 d .
C6 C -0.1707(6) 0.7795(6) 0.4427(4) 0.057(2) Uani 1 2 d .
C7 C -0.0991(5) 0.8295(4) 0.3328(4) 0.0390(16) Uani 1 2 d .
C8 C -0.2580(5) 0.7400(4) 0.3310(4) 0.0394(16) Uani 1 2 d .
C9 C 0.0663(5) 0.4363(4) 0.3351(3) 0.0301(14) Uani 1 2 d .
C10 C 0.0406(6) 0.3738(4) 0.3930(4) 0.0471(19) Uani 1 2 d .
C11 C 0.1741(5) 0.4649(4) 0.3406(3) 0.0358(15) Uani 1 2 d .
C12 C 0.0420(5) 0.3857(4) 0.2653(3) 0.0387(16) Uani 1 2 d .
C13 C 0.1803(5) 0.8068(4) 0.2666(3) 0.0330(15) Uani 1 2 d .
C14 C 0.1814(5) 0.7381(4) 0.2074(3) 0.0351(15) Uani 1 2 d .
C15 C 0.1459(4) 0.8343(4) 0.4139(3) 0.0295(14) Uani 1 2 d .
C16 C 0.1309(5) 0.8101(5) 0.4819(3) 0.0359(16) Uani 1 2 d .
C17 C 0.1144(5) 0.8741(6) 0.5338(4) 0.052(2) Uani 1 2 d .
C18 C 0.1136(5) 0.9596(5) 0.5167(4) 0.054(2) Uani 1 2 d .
C19 C 0.1294(5) 0.9835(5) 0.4507(5) 0.055(2) Uani 1 2 d .
C20 C 0.1461(5) 0.9214(4) 0.3987(4) 0.0421(17) Uani 1 2 d .
C21 C 0.2788(4) 0.7149(4) 0.3703(3) 0.0252(13) Uani 1 2 d .
C22 C 0.2818(5) 0.6579(4) 0.4232(3) 0.0312(14) Uani 1 2 d .
C23 C 0.3689(5) 0.6307(4) 0.4462(4) 0.0368(16) Uani 1 2 d .
C24 C 0.4547(5) 0.6600(5) 0.4151(4) 0.0419(17) Uani 1 2 d .
C25 C 0.4523(5) 0.7167(5) 0.3617(4) 0.0445(18) Uani 1 2 d .
C26 C 0.3650(5) 0.7438(5) 0.3398(3) 0.0372(16) Uani 1 2 d .
C27 C 0.1044(5) 0.5680(4) 0.1553(3) 0.0275(13) Uani 1 2 d .
C28 C 0.1949(5) 0.5372(4) 0.1632(3) 0.0357(15) Uani 1 2 d .
C29 C 0.2195(6) 0.4670(5) 0.1217(4) 0.0478(19) Uani 1 2 d .
C30 C 0.1537(6) 0.4232(5) 0.0748(4) 0.050(2) Uani 1 2 d .
C31 C 0.0629(6) 0.4511(4) 0.0678(3) 0.0418(18) Uani 1 2 d .
C32 C 0.0384(5) 0.5228(4) 0.1066(3) 0.0337(15) Uani 1 2 d .
C33 C -0.0156(5) 0.7057(4) 0.1529(3) 0.0319(14) Uani 1 2 d .
C34 C 0.0133(5) 0.7373(5) 0.0896(3) 0.0439(18) Uani 1 2 d .
C35 C -0.0535(7) 0.7718(5) 0.0466(4) 0.053(2) Uani 1 2 d .
C36 C -0.1487(7) 0.7709(6) 0.0635(4) 0.057(2) Uani 1 2 d .
C37 C -0.1782(6) 0.7361(5) 0.1252(4) 0.0459(18) Uani 1 2 d .
C38 C -0.1122(5) 0.7044(4) 0.1698(4) 0.0410(17) Uani 1 2 d .
C39 C 0.5604(4) 0.8425(4) 0.8315(3) 0.0261(13) Uani 1 2 d .
C40 C 0.4882(4) 0.8660(4) 0.8788(3) 0.0281(13) Uani 1 2 d .
C41 C 0.4385(4) 0.9446(4) 0.8748(3) 0.0273(13) Uani 1 2 d .
C42 C 0.4586(4) 1.0094(4) 0.8262(3) 0.0253(13) Uani 1 2 d .
C43 C 0.6071(5) 0.7588(4) 0.8382(3) 0.0309(14) Uani 1 2 d .
C44 C 0.6654(5) 0.7680(5) 0.9079(3) 0.0427(18) Uani 1 2 d .
C45 C 0.5316(5) 0.6796(4) 0.8367(4) 0.0412(17) Uani 1 2 d .
C46 C 0.6798(5) 0.7451(4) 0.7796(3) 0.0364(16) Uani 1 2 d .
C47 C 0.4042(5) 1.0893(4) 0.8293(3) 0.0290(13) Uani 1 2 d .
C48 C 0.4088(6) 1.1303(5) 0.9036(3) 0.0447(18) Uani 1 2 d .
C49 C 0.2973(5) 1.0672(5) 0.8065(4) 0.0418(17) Uani 1 2 d .
C50 C 0.4501(5) 1.1552(4) 0.7817(3) 0.0398(16) Uani 1 2 d .
C51 C 0.2743(5) 0.7046(4) 0.7312(3) 0.0334(15) Uani 1 2 d .
C52 C 0.2984(4) 0.7475(4) 0.6632(3) 0.0291(14) Uani 1 2 d .
C53 C 0.2644(5) 0.7435(4) 0.8821(3) 0.0370(16) Uani 1 2 d .
C54 C 0.2582(6) 0.7971(5) 0.9410(4) 0.049(2) Uani 1 2 d .
C55 C 0.2468(6) 0.7634(6) 1.0054(4) 0.060(2) Uani 1 2 d .
C56 C 0.2421(7) 0.6758(7) 1.0100(4) 0.070(3) Uani 1 2 d .
C57 C 0.2487(7) 0.6197(5) 0.9512(4) 0.065(2) Uani 1 2 d .
C58 C 0.2625(6) 0.6548(5) 0.8877(4) 0.0478(19) Uani 1 2 d .
C59 C 0.1645(5) 0.8375(4) 0.7847(3) 0.0351(15) Uani 1 2 d .
C60 C 0.0805(5) 0.8061(5) 0.8191(4) 0.0485(19) Uani 1 2 d .
C61 C -0.0095(6) 0.8369(6) 0.8029(5) 0.066(3) Uani 1 2 d .
C62 C -0.0147(6) 0.8949(6) 0.7521(5) 0.065(3) Uani 1 2 d .
C63 C 0.0662(6) 0.9242(6) 0.7197(5) 0.059(2) Uani 1 2 d .
C64 C 0.1561(5) 0.8953(5) 0.7357(4) 0.0437(18) Uani 1 2 d .
C65 C 0.3971(4) 0.8973(4) 0.6071(3) 0.0243(12) Uani 1 2 d .
C66 C 0.3895(4) 0.8687(4) 0.5374(3) 0.0305(14) Uani 1 2 d .
C67 C 0.3762(5) 0.9270(5) 0.4873(3) 0.0349(15) Uani 1 2 d .
C68 C 0.3690(5) 1.0130(5) 0.5059(3) 0.0395(17) Uani 1 2 d .
C69 C 0.3769(5) 1.0417(4) 0.5742(4) 0.0357(15) Uani 1 2 d .
C70 C 0.3902(4) 0.9845(4) 0.6255(3) 0.0298(14) Uani 1 2 d .
C71 C 0.5039(4) 0.7575(4) 0.6386(3) 0.0223(12) Uani 1 2 d .
C72 C 0.4930(5) 0.6678(4) 0.6324(3) 0.0327(15) Uani 1 2 d .
C73 C 0.5648(6) 0.6221(5) 0.6030(3) 0.0445(18) Uani 1 2 d .
C74 C 0.6478(5) 0.6666(5) 0.5795(3) 0.0402(17) Uani 1 2 d .
C75 C 0.6608(5) 0.7561(5) 0.5868(3) 0.0382(16) Uani 1 2 d .
C76 C 0.5898(4) 0.8012(4) 0.6163(3) 0.0322(14) Uani 1 2 d .
C77 C 0.0278(8) 0.9999(7) 0.0679(5) 0.084(3) Uani 1 2 d .
C78 C 0.0943(7) 0.9936(6) 0.0181(5) 0.073(3) Uani 1 2 d .
C79 C 0.0671(7) 0.9935(7) -0.0511(5) 0.076(3) Uani 1 2 d .
C80 C 0.5899(13) 0.5919(11) 0.0578(11) 0.147(7) Uani 1 2 d .
C81 C 0.6211(14) 0.5676(14) 0.1254(19) 0.207(17) Uani 1 2 d .
C82 C 0.564(2) 0.5783(11) 0.1780(13) 0.184(14) Uani 1 2 d .
C83 C 0.4858(16) 0.6023(12) 0.1725(8) 0.155(9) Uani 1 2 d .
C84 C 0.4509(9) 0.6272(9) 0.1123(8) 0.111(4) Uani 1 2 d .
C85 C 0.5035(11) 0.6175(9) 0.0541(7) 0.105(4) Uani 1 2 d .
H6A H -0.10765 0.78879 0.46648 0.0683 Uiso 1 2 calc R
H6B H -0.20207 0.83296 0.44687 0.0683 Uiso 1 2 calc R
H6C H -0.2108 0.73329 0.46376 0.0683 Uiso 1 2 calc R
H7A H -0.09053 0.81341 0.28387 0.0468 Uiso 1 2 calc R
H7B H -0.13368 0.88107 0.33703 0.0468 Uiso 1 2 calc R
H7C H -0.03591 0.84179 0.35618 0.0468 Uiso 1 2 calc R
H8A H -0.25136 0.72353 0.28185 0.0473 Uiso 1 2 calc R
H8B H -0.29764 0.69399 0.35259 0.0473 Uiso 1 2 calc R
H8C H -0.28891 0.79366 0.3357 0.0473 Uiso 1 2 calc R
H10A H -0.02847 0.35467 0.39034 0.0565 Uiso 1 2 calc R
H10B H 0.07705 0.32354 0.38697 0.0565 Uiso 1 2 calc R
H10C H 0.05713 0.40382 0.43818 0.0565 Uiso 1 2 calc R
H11A H 0.20992 0.4143 0.33424 0.0429 Uiso 1 2 calc R
H11B H 0.19161 0.50499 0.30473 0.0429 Uiso 1 2 calc R
H11C H 0.1901 0.49392 0.38619 0.0429 Uiso 1 2 calc R
H12A H -0.02723 0.3674 0.26191 0.0464 Uiso 1 2 calc R
H12B H 0.06017 0.42288 0.22767 0.0464 Uiso 1 2 calc R
H12C H 0.07769 0.3348 0.26186 0.0464 Uiso 1 2 calc R
H13A H 0.12779 0.84353 0.25908 0.0396 Uiso 1 2 calc R
H13B H 0.24223 0.84406 0.26987 0.0396 Uiso 1 2 calc R
H14A H 0.23937 0.70715 0.21174 0.0421 Uiso 1 2 calc R
H14B H 0.18357 0.76575 0.16273 0.0421 Uiso 1 2 calc R
H16 H 0.13177 0.75156 0.49273 0.0430 Uiso 1 2 calc R
H17 H 0.104 0.85904 0.57997 0.0626 Uiso 1 2 calc R
H18 H 0.10183 1.00233 0.55166 0.0646 Uiso 1 2 calc R
H19 H 0.12889 1.04219 0.4403 0.0658 Uiso 1 2 calc R
H20 H 0.15772 0.93792 0.35306 0.0506 Uiso 1 2 calc R
H22 H 0.22359 0.63707 0.44394 0.0375 Uiso 1 2 calc R
H23 H 0.36955 0.59267 0.48257 0.0442 Uiso 1 2 calc R
H24 H 0.51411 0.64174 0.43 0.0503 Uiso 1 2 calc R
H25 H 0.51027 0.73665 0.34022 0.0534 Uiso 1 2 calc R
H26 H 0.36434 0.78236 0.30375 0.0446 Uiso 1 2 calc R
H28 H 0.23977 0.56458 0.19711 0.0428 Uiso 1 2 calc R
H29 H 0.28227 0.44914 0.12572 0.0574 Uiso 1 2 calc R
H30 H 0.17028 0.37445 0.04758 0.0602 Uiso 1 2 calc R
H31 H 0.01705 0.42062 0.03602 0.0502 Uiso 1 2 calc R
H32 H -0.02352 0.54175 0.10038 0.0405 Uiso 1 2 calc R
H34 H 0.07789 0.73543 0.07558 0.0527 Uiso 1 2 calc R
H35 H -0.03236 0.79621 0.00514 0.0638 Uiso 1 2 calc R
H36 H -0.19339 0.79346 0.03388 0.0687 Uiso 1 2 calc R
H37 H -0.24407 0.73383 0.13702 0.0550 Uiso 1 2 calc R
H38 H -0.13354 0.68192 0.21193 0.0492 Uiso 1 2 calc R
H44A H 0.69634 0.71524 0.91378 0.0513 Uiso 1 2 calc R
H44B H 0.71466 0.8175 0.90761 0.0513 Uiso 1 2 calc R
H44C H 0.62177 0.77699 0.94603 0.0513 Uiso 1 2 calc R
H45A H 0.56406 0.62733 0.84113 0.0495 Uiso 1 2 calc R
H45B H 0.48788 0.68605 0.87519 0.0495 Uiso 1 2 calc R
H45C H 0.49477 0.67487 0.79294 0.0495 Uiso 1 2 calc R
H46A H 0.70851 0.69117 0.78526 0.0436 Uiso 1 2 calc R
H46B H 0.64611 0.74204 0.73463 0.0436 Uiso 1 2 calc R
H46C H 0.73065 0.79362 0.78207 0.0436 Uiso 1 2 calc R
H48A H 0.37381 1.18165 0.90551 0.0537 Uiso 1 2 calc R
H48B H 0.37946 1.08847 0.93474 0.0537 Uiso 1 2 calc R
H48C H 0.4762 1.14689 0.91784 0.0537 Uiso 1 2 calc R
H49A H 0.26471 1.12002 0.80922 0.0502 Uiso 1 2 calc R
H49B H 0.29343 1.04212 0.75884 0.0502 Uiso 1 2 calc R
H49C H 0.26594 1.02557 0.83699 0.0502 Uiso 1 2 calc R
H50A H 0.41481 1.20646 0.78398 0.0477 Uiso 1 2 calc R
H50B H 0.51729 1.1719 0.79637 0.0477 Uiso 1 2 calc R
H50C H 0.44766 1.1298 0.73417 0.0477 Uiso 1 2 calc R
H51A H 0.32121 0.66329 0.74119 0.0400 Uiso 1 2 calc R
H51B H 0.20896 0.67304 0.72806 0.0400 Uiso 1 2 calc R
H52A H 0.24477 0.78007 0.64925 0.0349 Uiso 1 2 calc R
H52B H 0.30644 0.70247 0.62612 0.0349 Uiso 1 2 calc R
H54 H 0.26188 0.85785 0.93734 0.0593 Uiso 1 2 calc R
H55 H 0.24225 0.80065 1.04557 0.0722 Uiso 1 2 calc R
H56 H 0.23419 0.6525 1.05386 0.0845 Uiso 1 2 calc R
H57 H 0.24384 0.55895 0.95492 0.0777 Uiso 1 2 calc R
H58 H 0.27058 0.61808 0.84775 0.0574 Uiso 1 2 calc R
H60 H 0.08403 0.76476 0.85279 0.0582 Uiso 1 2 calc R
H61 H -0.06561 0.81773 0.82695 0.0787 Uiso 1 2 calc R
H62 H -0.07479 0.9141 0.73993 0.0780 Uiso 1 2 calc R
H63 H 0.06243 0.96491 0.68551 0.0704 Uiso 1 2 calc R
H64 H 0.21156 0.91649 0.71181 0.0525 Uiso 1 2 calc R
H66 H 0.39344 0.80954 0.52415 0.0366 Uiso 1 2 calc R
H67 H 0.37199 0.90743 0.4399 0.0419 Uiso 1 2 calc R
H68 H 0.35862 1.05215 0.47152 0.0474 Uiso 1 2 calc R
H69 H 0.37324 1.10108 0.58686 0.0429 Uiso 1 2 calc R
H70 H 0.39465 1.00485 0.67277 0.0358 Uiso 1 2 calc R
H72 H 0.43611 0.63707 0.64828 0.0393 Uiso 1 2 calc R
H73 H 0.55674 0.56075 0.59919 0.0534 Uiso 1 2 calc R
H74 H 0.69575 0.63572 0.55836 0.0482 Uiso 1 2 calc R
H75 H 0.71827 0.78647 0.57157 0.0459 Uiso 1 2 calc R
H76 H 0.59939 0.86248 0.62162 0.0386 Uiso 1 2 calc R
H77 H 0.0472 0.99977 0.11509 0.1010 Uiso 1 2 calc R
H78 H 0.15955 0.98915 0.0306 0.0879 Uiso 1 2 calc R
H79 H 0.1132 0.98891 -0.08617 0.0911 Uiso 1 2 calc R
H80 H 0.62984 0.58942 0.01879 0.1769 Uiso 1 2 calc R
H81 H 0.68094 0.54478 0.13148 0.2489 Uiso 1 2 calc R
H82 H 0.58561 0.56603 0.22261 0.2209 Uiso 1 2 calc R
H83 H 0.44673 0.6041 0.21198 0.1866 Uiso 1 2 calc R
H84 H 0.39102 0.65094 0.11039 0.1338 Uiso 1 2 calc R
H85 H 0.47733 0.6294 0.01061 0.1263 Uiso 1 2 calc R
H2 H -0.02234 0.6888 0.44878 0.0297 Uiso 1 2 calc R
H3 H 0.06257 0.5629 0.43746 0.0292 Uiso 1 2 calc R
H40 H 0.47157 0.82892 0.91476 0.0337 Uiso 1 2 calc R
H41 H 0.38937 0.95295 0.90697 0.0328 Uiso 1 2 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.3393 1.1124
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ta Ta -0.7052 6.5227
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Ni1 Ta1 Cl1 123.58(5) yes . .
Ni1 Ta1 Cl2 150.27(5) yes . .
Ni1 Ta1 Cl3 87.76(5) yes . .
Ni1 Ta1 C1 51.23(16) yes . .
Ni1 Ta1 C2 44.41(14) yes . .
Ni1 Ta1 C3 44.27(14) yes . .
Ni1 Ta1 C4 49.47(16) yes . .
Cl1 Ta1 Cl2 80.02(6) yes . .
Cl1 Ta1 Cl3 139.61(7) yes . .
Cl1 Ta1 C1 110.36(17) yes . .
Cl1 Ta1 C2 87.32(15) yes . .
Cl1 Ta1 C3 80.07(15) yes . .
Cl1 Ta1 C4 92.93(16) yes . .
Cl2 Ta1 Cl3 81.87(6) yes . .
Cl2 Ta1 C1 106.51(17) yes . .
Cl2 Ta1 C2 131.61(15) yes . .
Cl2 Ta1 C3 157.22(14) yes . .
Cl2 Ta1 C4 157.08(16) yes . .
Cl3 Ta1 C1 109.30(17) yes . .
Cl3 Ta1 C2 130.70(14) yes . .
Cl3 Ta1 C3 120.73(14) yes . .
Cl3 Ta1 C4 89.98(15) yes . .
C1 Ta1 C2 36.7(2) yes . .
C1 Ta1 C3 70.6(2) yes . .
C1 Ta1 C4 96.4(2) yes . .
C2 Ta1 C3 36.3(2) yes . .
C2 Ta1 C4 69.1(2) yes . .
C3 Ta1 C4 35.4(2) yes . .
Ni2 Ta2 Cl4 124.28(5) yes . .
Ni2 Ta2 Cl5 145.15(6) yes . .
Ni2 Ta2 Cl6 90.26(5) yes . .
Ni2 Ta2 C39 51.00(17) yes . .
Ni2 Ta2 C40 44.68(14) yes . .
Ni2 Ta2 C41 44.77(14) yes . .
Ni2 Ta2 C42 53.15(17) yes . .
Cl4 Ta2 Cl5 82.88(7) yes . .
Cl4 Ta2 Cl6 136.73(8) yes . .
Cl4 Ta2 C39 106.48(16) yes . .
Cl4 Ta2 C40 85.68(14) yes . .
Cl4 Ta2 C41 80.75(14) yes . .
Cl4 Ta2 C42 91.70(16) yes . .
Cl5 Ta2 Cl6 79.68(6) yes . .
Cl5 Ta2 C39 104.09(19) yes . .
Cl5 Ta2 C40 131.16(16) yes . .
Cl5 Ta2 C41 159.35(15) yes . .
Cl5 Ta2 C42 157.99(17) yes . .
Cl6 Ta2 C39 116.06(15) yes . .
Cl6 Ta2 C40 134.49(13) yes . .
Cl6 Ta2 C41 120.96(14) yes . .
Cl6 Ta2 C42 90.09(16) yes . .
C39 Ta2 C40 36.0(2) yes . .
C39 Ta2 C41 69.0(2) yes . .
C39 Ta2 C42 97.9(2) yes . .
C40 Ta2 C41 35.0(2) yes . .
C40 Ta2 C42 69.2(2) yes . .
C41 Ta2 C42 35.6(2) yes . .
Ta1 Ni1 P1 156.21(5) yes . .
Ta1 Ni1 P2 113.31(5) yes . .
Ta1 Ni1 C1 44.30(15) yes . .
Ta1 Ni1 C2 54.77(15) yes . .
Ta1 Ni1 C3 55.68(16) yes . .
Ta1 Ni1 C4 45.82(16) yes . .
P1 Ni1 P2 88.72(7) yes . .
P1 Ni1 C1 117.44(16) yes . .
P1 Ni1 C2 101.47(16) yes . .
P1 Ni1 C3 109.19(16) yes . .
P1 Ni1 C4 135.26(16) yes . .
P2 Ni1 C1 120.24(15) yes . .
P2 Ni1 C2 158.59(17) yes . .
P2 Ni1 C3 149.73(17) yes . .
P2 Ni1 C4 112.19(15) yes . .
C1 Ni1 C2 38.4(2) yes . .
C1 Ni1 C3 73.7(2) yes . .
C1 Ni1 C4 86.5(2) yes . .
C2 Ni1 C3 42.9(2) yes . .
C2 Ni1 C4 73.5(2) yes . .
C3 Ni1 C4 38.4(2) yes . .
Ta2 Ni2 P3 158.17(6) yes . .
Ta2 Ni2 P4 112.80(5) yes . .
Ta2 Ni2 C39 45.24(16) yes . .
Ta2 Ni2 C40 57.13(17) yes . .
Ta2 Ni2 C41 57.59(16) yes . .
Ta2 Ni2 C42 46.10(15) yes . .
P3 Ni2 P4 88.75(7) yes . .
P3 Ni2 C39 125.52(17) yes . .
P3 Ni2 C40 102.80(18) yes . .
P3 Ni2 C41 102.33(17) yes . .
P3 Ni2 C42 124.09(16) yes . .
P4 Ni2 C39 110.23(15) yes . .
P4 Ni2 C40 147.65(19) yes . .
P4 Ni2 C41 163.15(18) yes . .
P4 Ni2 C42 125.27(15) yes . .
C39 Ni2 C40 39.1(2) yes . .
C39 Ni2 C41 73.7(2) yes . .
C39 Ni2 C42 86.3(2) yes . .
C40 Ni2 C41 42.2(2) yes . .
C40 Ni2 C42 72.6(2) yes . .
C41 Ni2 C42 37.9(2) yes . .
Ni1 P1 C13 105.0(2) yes . .
Ni1 P1 C15 119.3(2) yes . .
Ni1 P1 C21 118.1(2) yes . .
C13 P1 C15 105.1(3) yes . .
C13 P1 C21 106.0(3) yes . .
C15 P1 C21 102.0(3) yes . .
Ni1 P2 C14 105.8(2) yes . .
Ni1 P2 C27 121.0(2) yes . .
Ni1 P2 C33 119.7(2) yes . .
C14 P2 C27 102.1(3) yes . .
C14 P2 C33 103.6(3) yes . .
C27 P2 C33 102.1(3) yes . .
Ni2 P3 C51 104.3(2) yes . .
Ni2 P3 C53 116.7(2) yes . .
Ni2 P3 C59 122.2(2) yes . .
C51 P3 C53 107.6(3) yes . .
C51 P3 C59 101.2(3) yes . .
C53 P3 C59 103.2(3) yes . .
Ni2 P4 C52 106.36(19) yes . .
Ni2 P4 C65 120.8(2) yes . .
Ni2 P4 C71 119.61(18) yes . .
C52 P4 C65 102.1(3) yes . .
C52 P4 C71 103.5(3) yes . .
C65 P4 C71 101.9(3) yes . .
Ta1 C1 Ni1 84.5(2) yes . .
Ta1 C1 C2 85.6(4) yes . .
Ta1 C1 C5 140.4(4) yes . .
Ni1 C1 C2 62.7(3) yes . .
Ni1 C1 C5 130.9(4) yes . .
C2 C1 C5 123.6(5) yes . .
Ta1 C2 Ni1 80.82(19) yes . .
Ta1 C2 C1 57.7(3) yes . .
Ta1 C2 C3 73.0(3) yes . .
Ni1 C2 C1 79.0(3) yes . .
Ni1 C2 C3 68.5(3) yes . .
C1 C2 C3 124.4(5) yes . .
Ta1 C3 Ni1 80.0(2) yes . .
Ta1 C3 C2 70.7(3) yes . .
Ta1 C3 C4 58.9(3) yes . .
Ni1 C3 C2 68.6(3) yes . .
Ni1 C3 C4 76.9(3) yes . .
C2 C3 C4 122.6(5) yes . .
Ta1 C4 Ni1 84.7(2) yes . .
Ta1 C4 C3 85.7(4) yes . .
Ta1 C4 C9 142.0(4) yes . .
Ni1 C4 C3 64.7(3) yes . .
Ni1 C4 C9 128.9(4) yes . .
C3 C4 C9 121.9(5) yes . .
C1 C5 C6 109.5(5) yes . .
C1 C5 C7 111.2(5) yes . .
C1 C5 C8 111.1(5) yes . .
C6 C5 C7 109.2(5) yes . .
C6 C5 C8 108.1(6) yes . .
C7 C5 C8 107.7(5) yes . .
C4 C9 C10 108.0(5) yes . .
C4 C9 C11 112.7(5) yes . .
C4 C9 C12 110.6(5) yes . .
C10 C9 C11 108.3(6) yes . .
C10 C9 C12 107.6(5) yes . .
C11 C9 C12 109.6(5) yes . .
P1 C13 C14 106.9(4) yes . .
P2 C14 C13 109.5(4) yes . .
P1 C15 C16 118.5(5) yes . .
P1 C15 C20 121.4(5) yes . .
C16 C15 C20 120.0(6) yes . .
C15 C16 C17 119.0(7) yes . .
C16 C17 C18 119.5(7) yes . .
C17 C18 C19 121.6(8) yes . .
C18 C19 C20 119.9(7) yes . .
C15 C20 C19 120.0(7) yes . .
P1 C21 C22 118.1(5) yes . .
P1 C21 C26 123.5(5) yes . .
C22 C21 C26 118.4(6) yes . .
C21 C22 C23 121.5(6) yes . .
C22 C23 C24 119.6(6) yes . .
C23 C24 C25 119.3(6) yes . .
C24 C25 C26 120.4(6) yes . .
C21 C26 C25 120.8(6) yes . .
P2 C27 C28 121.1(4) yes . .
P2 C27 C32 121.1(5) yes . .
C28 C27 C32 117.7(6) yes . .
C27 C28 C29 120.7(6) yes . .
C28 C29 C30 120.7(8) yes . .
C29 C30 C31 119.4(7) yes . .
C30 C31 C32 120.8(6) yes . .
C27 C32 C31 120.7(7) yes . .
P2 C33 C34 120.4(5) yes . .
P2 C33 C38 121.1(5) yes . .
C34 C33 C38 118.4(6) yes . .
C33 C34 C35 120.1(7) yes . .
C34 C35 C36 121.3(7) yes . .
C35 C36 C37 118.6(8) yes . .
C36 C37 C38 121.0(7) yes . .
C33 C38 C37 120.6(6) yes . .
Ta2 C39 Ni2 83.8(2) yes . .
Ta2 C39 C40 87.7(4) yes . .
Ta2 C39 C43 140.7(4) yes . .
Ni2 C39 C40 63.7(3) yes . .
Ni2 C39 C43 131.7(4) yes . .
C40 C39 C43 120.5(5) yes . .
Ta2 C40 Ni2 78.19(19) yes . .
Ta2 C40 C39 56.3(3) yes . .
Ta2 C40 C41 73.1(3) yes . .
Ni2 C40 C39 77.3(3) yes . .
Ni2 C40 C41 69.2(3) yes . .
C39 C40 C41 123.7(5) yes . .
Ta2 C41 Ni2 77.64(19) yes . .
Ta2 C41 C40 71.8(3) yes . .
Ta2 C41 C42 57.5(3) yes . .
Ni2 C41 C40 68.6(3) yes . .
Ni2 C41 C42 80.8(3) yes . .
C40 C41 C42 125.2(5) yes . .
Ta2 C42 Ni2 80.8(2) yes . .
Ta2 C42 C41 86.9(4) yes . .
Ta2 C42 C47 142.5(4) yes . .
Ni2 C42 C41 61.4(3) yes . .
Ni2 C42 C47 133.9(4) yes . .
C41 C42 C47 119.8(5) yes . .
C39 C43 C44 107.4(5) yes . .
C39 C43 C45 111.8(5) yes . .
C39 C43 C46 111.4(5) yes . .
C44 C43 C45 110.1(5) yes . .
C44 C43 C46 107.2(5) yes . .
C45 C43 C46 108.9(5) yes . .
C42 C47 C48 109.6(5) yes . .
C42 C47 C49 111.8(5) yes . .
C42 C47 C50 109.8(5) yes . .
C48 C47 C49 108.8(6) yes . .
C48 C47 C50 108.7(5) yes . .
C49 C47 C50 108.0(5) yes . .
P3 C51 C52 106.4(4) yes . .
P4 C52 C51 110.1(4) yes . .
P3 C53 C54 118.3(5) yes . .
P3 C53 C58 122.0(5) yes . .
C54 C53 C58 119.6(6) yes . .
C53 C54 C55 121.0(7) yes . .
C54 C55 C56 119.0(7) yes . .
C55 C56 C57 121.4(8) yes . .
C56 C57 C58 118.7(8) yes . .
C53 C58 C57 120.3(7) yes . .
P3 C59 C60 120.9(5) yes . .
P3 C59 C64 120.4(5) yes . .
C60 C59 C64 118.4(7) yes . .
C59 C60 C61 119.8(7) yes . .
C60 C61 C62 119.7(8) yes . .
C61 C62 C63 119.7(8) yes . .
C62 C63 C64 121.3(8) yes . .
C59 C64 C63 121.0(7) yes . .
P4 C65 C66 121.3(5) yes . .
P4 C65 C70 119.7(4) yes . .
C66 C65 C70 119.0(6) yes . .
C65 C66 C67 120.0(6) yes . .
C66 C67 C68 120.6(6) yes . .
C67 C68 C69 119.7(7) yes . .
C68 C69 C70 120.8(6) yes . .
C65 C70 C69 119.8(6) yes . .
P4 C71 C72 123.1(4) yes . .
P4 C71 C76 118.4(4) yes . .
C72 C71 C76 118.5(6) yes . .
C71 C72 C73 120.7(6) yes . .
C72 C73 C74 119.9(7) yes . .
C73 C74 C75 120.1(7) yes . .
C74 C75 C76 119.9(6) yes . .
C71 C76 C75 120.9(6) yes . .
C78 C77 C79 121.0(9) yes . 2_575
C77 C78 C79 120.2(9) yes . .
C77 C79 C78 118.8(9) yes 2_575 .
C81 C80 C85 116.1(18) yes . .
C80 C81 C82 118(2) yes . .
C81 C82 C83 124(3) yes . .
C82 C83 C84 123(2) yes . .
C83 C84 C85 118.6(15) yes . .
C80 C85 C84 120.6(15) yes . .
Ta1 C2 H2 152.171 no . .
Ni1 C2 H2 126.680 no . .
C1 C2 H2 117.823 no . .
C3 C2 H2 117.824 no . .
Ta1 C3 H3 151.750 no . .
Ni1 C3 H3 128.030 no . .
C2 C3 H3 118.723 no . .
C4 C3 H3 118.722 no . .
C5 C6 H6A 109.473 no . .
C5 C6 H6B 109.466 no . .
C5 C6 H6C 109.472 no . .
H6A C6 H6B 109.471 no . .
H6A C6 H6C 109.478 no . .
H6B C6 H6C 109.467 no . .
C5 C7 H7A 109.479 no . .
C5 C7 H7B 109.475 no . .
C5 C7 H7C 109.462 no . .
H7A C7 H7B 109.471 no . .
H7A C7 H7C 109.468 no . .
H7B C7 H7C 109.473 no . .
C5 C8 H8A 109.468 no . .
C5 C8 H8B 109.462 no . .
C5 C8 H8C 109.476 no . .
H8A C8 H8B 109.475 no . .
H8A C8 H8C 109.469 no . .
H8B C8 H8C 109.477 no . .
C9 C10 H10A 109.467 no . .
C9 C10 H10B 109.469 no . .
C9 C10 H10C 109.466 no . .
H10A C10 H10B 109.470 no . .
H10A C10 H10C 109.478 no . .
H10B C10 H10C 109.477 no . .
C9 C11 H11A 109.475 no . .
C9 C11 H11B 109.468 no . .
C9 C11 H11C 109.467 no . .
H11A C11 H11B 109.468 no . .
H11A C11 H11C 109.479 no . .
H11B C11 H11C 109.471 no . .
C9 C12 H12A 109.465 no . .
C9 C12 H12B 109.473 no . .
C9 C12 H12C 109.468 no . .
H12A C12 H12B 109.468 no . .
H12A C12 H12C 109.475 no . .
H12B C12 H12C 109.480 no . .
P1 C13 H13A 110.337 no . .
P1 C13 H13B 110.345 no . .
C14 C13 H13A 110.342 no . .
C14 C13 H13B 110.339 no . .
H13A C13 H13B 108.577 no . .
P2 C14 H14A 109.768 no . .
P2 C14 H14B 109.764 no . .
C13 C14 H14A 109.775 no . .
C13 C14 H14B 109.771 no . .
H14A C14 H14B 108.224 no . .
C15 C16 H16 120.509 no . .
C17 C16 H16 120.518 no . .
C16 C17 H17 120.254 no . .
C18 C17 H17 120.264 no . .
C17 C18 H18 119.194 no . .
C19 C18 H18 119.207 no . .
C18 C19 H19 120.081 no . .
C20 C19 H19 120.057 no . .
C15 C20 H20 119.970 no . .
C19 C20 H20 119.984 no . .
C21 C22 H22 119.239 no . .
C23 C22 H22 119.240 no . .
C22 C23 H23 120.224 no . .
C24 C23 H23 120.225 no . .
C23 C24 H24 120.343 no . .
C25 C24 H24 120.340 no . .
C24 C25 H25 119.776 no . .
C26 C25 H25 119.775 no . .
C21 C26 H26 119.623 no . .
C25 C26 H26 119.623 no . .
C27 C28 H28 119.649 no . .
C29 C28 H28 119.659 no . .
C28 C29 H29 119.665 no . .
C30 C29 H29 119.661 no . .
C29 C30 H30 120.300 no . .
C31 C30 H30 120.309 no . .
C30 C31 H31 119.603 no . .
C32 C31 H31 119.600 no . .
C27 C32 H32 119.659 no . .
C31 C32 H32 119.666 no . .
C33 C34 H34 119.977 no . .
C35 C34 H34 119.972 no . .
C34 C35 H35 119.353 no . .
C36 C35 H35 119.332 no . .
C35 C36 H36 120.709 no . .
C37 C36 H36 120.703 no . .
C36 C37 H37 119.513 no . .
C38 C37 H37 119.531 no . .
C33 C38 H38 119.726 no . .
C37 C38 H38 119.719 no . .
Ta2 C40 H40 153.555 no . .
Ni2 C40 H40 127.625 no . .
C39 C40 H40 118.165 no . .
C41 C40 H40 118.163 no . .
Ta2 C41 H41 157.249 no . .
Ni2 C41 H41 124.760 no . .
C40 C41 H41 117.410 no . .
C42 C41 H41 117.416 no . .
C43 C44 H44A 109.465 no . .
C43 C44 H44B 109.473 no . .
C43 C44 H44C 109.473 no . .
H44A C44 H44B 109.475 no . .
H44A C44 H44C 109.473 no . .
H44B C44 H44C 109.468 no . .
C43 C45 H45A 109.477 no . .
C43 C45 H45B 109.467 no . .
C43 C45 H45C 109.479 no . .
H45A C45 H45B 109.461 no . .
H45A C45 H45C 109.479 no . .
H45B C45 H45C 109.464 no . .
C43 C46 H46A 109.468 no . .
C43 C46 H46B 109.473 no . .
C43 C46 H46C 109.474 no . .
H46A C46 H46B 109.471 no . .
H46A C46 H46C 109.464 no . .
H46B C46 H46C 109.477 no . .
C47 C48 H48A 109.457 no . .
C47 C48 H48B 109.482 no . .
C47 C48 H48C 109.469 no . .
H48A C48 H48B 109.472 no . .
H48A C48 H48C 109.472 no . .
H48B C48 H48C 109.476 no . .
C47 C49 H49A 109.472 no . .
C47 C49 H49B 109.472 no . .
C47 C49 H49C 109.477 no . .
H49A C49 H49B 109.474 no . .
H49A C49 H49C 109.463 no . .
H49B C49 H49C 109.469 no . .
C47 C50 H50A 109.468 no . .
C47 C50 H50B 109.477 no . .
C47 C50 H50C 109.474 no . .
H50A C50 H50B 109.462 no . .
H50A C50 H50C 109.468 no . .
H50B C50 H50C 109.477 no . .
P3 C51 H51A 110.441 no . .
P3 C51 H51B 110.441 no . .
C52 C51 H51A 110.440 no . .
C52 C51 H51B 110.451 no . .
H51A C51 H51B 108.638 no . .
P4 C52 H52A 109.645 no . .
P4 C52 H52B 109.645 no . .
C51 C52 H52A 109.638 no . .
C51 C52 H52B 109.640 no . .
H52A C52 H52B 108.151 no . .
C53 C54 H54 119.527 no . .
C55 C54 H54 119.518 no . .
C54 C55 H55 120.526 no . .
C56 C55 H55 120.511 no . .
C55 C56 H56 119.289 no . .
C57 C56 H56 119.283 no . .
C56 C57 H57 120.659 no . .
C58 C57 H57 120.668 no . .
C53 C58 H58 119.849 no . .
C57 C58 H58 119.849 no . .
C59 C60 H60 120.101 no . .
C61 C60 H60 120.105 no . .
C60 C61 H61 120.137 no . .
C62 C61 H61 120.139 no . .
C61 C62 H62 120.137 no . .
C63 C62 H62 120.139 no . .
C62 C63 H63 119.341 no . .
C64 C63 H63 119.353 no . .
C59 C64 H64 119.477 no . .
C63 C64 H64 119.484 no . .
C65 C66 H66 119.992 no . .
C67 C66 H66 120.004 no . .
C66 C67 H67 119.680 no . .
C68 C67 H67 119.681 no . .
C67 C68 H68 120.149 no . .
C69 C68 H68 120.142 no . .
C68 C69 H69 119.617 no . .
C70 C69 H69 119.610 no . .
C65 C70 H70 120.088 no . .
C69 C70 H70 120.081 no . .
C71 C72 H72 119.660 no . .
C73 C72 H72 119.670 no . .
C72 C73 H73 120.051 no . .
C74 C73 H73 120.034 no . .
C73 C74 H74 119.944 no . .
C75 C74 H74 119.936 no . .
C74 C75 H75 120.067 no . .
C76 C75 H75 120.073 no . .
C71 C76 H76 119.534 no . .
C75 C76 H76 119.536 no . .
C78 C77 H77 119.497 no . .
C79 C77 H77 119.507 no 2_575 .
C77 C78 H78 119.896 no . .
C79 C78 H78 119.886 no . .
C77 C79 H79 120.601 no 2_575 .
C78 C79 H79 120.612 no . .
C81 C80 H80 121.946 no . .
C85 C80 H80 121.942 no . .
C80 C81 H81 120.992 no . .
C82 C81 H81 120.971 no . .
C81 C82 H82 118.198 no . .
C83 C82 H82 118.211 no . .
C82 C83 H83 118.658 no . .
C84 C83 H83 118.663 no . .
C83 C84 H84 120.694 no . .
C85 C84 H84 120.713 no . .
C80 C85 H85 119.709 no . .
C84 C85 H85 119.699 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ta1 Ni1 2.888(2) yes .
Ta1 Cl1 2.428(3) yes .
Ta1 Cl2 2.457(3) yes .
Ta1 Cl3 2.375(3) yes .
Ta1 C1 2.026(6) yes .
Ta1 C2 2.389(5) yes .
Ta1 C3 2.422(6) yes .
Ta1 C4 2.080(6) yes .
Ta2 Ni2 2.844(2) yes .
Ta2 Cl4 2.396(2) yes .
Ta2 Cl5 2.449(3) yes .
Ta2 Cl6 2.414(2) yes .
Ta2 C39 2.031(6) yes .
Ta2 C40 2.440(6) yes .
Ta2 C41 2.458(6) yes .
Ta2 C42 2.076(6) yes .
Ni1 P1 2.220(2) yes .
Ni1 P2 2.211(2) yes .
Ni1 C1 2.262(6) yes .
Ni1 C2 2.047(6) yes .
Ni1 C3 2.046(6) yes .
Ni1 C4 2.204(6) yes .
Ni2 P3 2.201(2) yes .
Ni2 P4 2.210(2) yes .
Ni2 C39 2.223(6) yes .
Ni2 C40 2.043(6) yes .
Ni2 C41 2.050(6) yes .
Ni2 C42 2.306(6) yes .
P1 C13 1.838(7) yes .
P1 C15 1.840(6) yes .
P1 C21 1.846(6) yes .
P2 C14 1.861(7) yes .
P2 C27 1.830(6) yes .
P2 C33 1.844(7) yes .
P3 C51 1.844(6) yes .
P3 C53 1.826(7) yes .
P3 C59 1.857(7) yes .
P4 C52 1.857(6) yes .
P4 C65 1.832(6) yes .
P4 C71 1.846(6) yes .
C1 C2 1.431(8) yes .
C1 C5 1.542(9) yes .
C2 C3 1.497(8) yes .
C3 C4 1.406(8) yes .
C4 C9 1.536(9) yes .
C5 C6 1.524(9) yes .
C5 C7 1.550(9) yes .
C5 C8 1.540(9) yes .
C9 C10 1.553(9) yes .
C9 C11 1.526(9) yes .
C9 C12 1.539(9) yes .
C13 C14 1.524(9) yes .
C15 C16 1.407(9) yes .
C15 C20 1.406(9) yes .
C16 C17 1.413(10) yes .
C17 C18 1.394(12) yes .
C18 C19 1.371(13) yes .
C19 C20 1.393(11) yes .
C21 C22 1.401(9) yes .
C21 C26 1.397(9) yes .
C22 C23 1.403(10) yes .
C23 C24 1.398(10) yes .
C24 C25 1.405(11) yes .
C25 C26 1.399(10) yes .
C27 C28 1.408(10) yes .
C27 C32 1.412(8) yes .
C28 C29 1.395(10) yes .
C29 C30 1.379(10) yes .
C30 C31 1.391(12) yes .
C31 C32 1.385(9) yes .
C33 C34 1.402(9) yes .
C33 C38 1.394(10) yes .
C34 C35 1.409(11) yes .
C35 C36 1.374(13) yes .
C36 C37 1.395(11) yes .
C37 C38 1.400(11) yes .
C39 C40 1.437(8) yes .
C39 C43 1.529(9) yes .
C40 C41 1.474(9) yes .
C41 C42 1.434(8) yes .
C42 C47 1.523(9) yes .
C43 C44 1.557(9) yes .
C43 C45 1.537(9) yes .
C43 C46 1.558(9) yes .
C47 C48 1.538(9) yes .
C47 C49 1.548(9) yes .
C47 C50 1.524(9) yes .
C51 C52 1.543(8) yes .
C53 C54 1.383(10) yes .
C53 C58 1.390(10) yes .
C54 C55 1.390(11) yes .
C55 C56 1.369(13) yes .
C56 C57 1.404(12) yes .
C57 C58 1.388(11) yes .
C59 C60 1.418(10) yes .
C59 C64 1.362(10) yes .
C60 C61 1.428(12) yes .
C61 C62 1.384(14) yes .
C62 C63 1.355(12) yes .
C63 C64 1.413(12) yes .
C65 C66 1.397(8) yes .
C65 C70 1.397(9) yes .
C66 C67 1.394(9) yes .
C67 C68 1.381(10) yes .
C68 C69 1.371(9) yes .
C69 C70 1.399(9) yes .
C71 C72 1.389(8) yes .
C71 C76 1.406(8) yes .
C72 C73 1.399(10) yes .
C73 C74 1.388(10) yes .
C74 C75 1.386(10) yes .
C75 C76 1.386(10) yes .
C77 C78 1.359(14) yes .
C77 C79 1.376(15) yes 2_575
C78 C79 1.387(14) yes .
C80 C81 1.46(4) yes .
C80 C85 1.31(2) yes .
C81 C82 1.32(4) yes .
C82 C83 1.19(4) yes .
C83 C84 1.35(2) yes .
C84 C85 1.37(2) yes .
C2 H2 0.950 no .
C3 H3 0.950 no .
C6 H6A 0.980 no .
C6 H6B 0.980 no .
C6 H6C 0.980 no .
C7 H7A 0.980 no .
C7 H7B 0.980 no .
C7 H7C 0.980 no .
C8 H8A 0.980 no .
C8 H8B 0.980 no .
C8 H8C 0.980 no .
C10 H10A 0.980 no .
C10 H10B 0.980 no .
C10 H10C 0.980 no .
C11 H11A 0.980 no .
C11 H11B 0.980 no .
C11 H11C 0.980 no .
C12 H12A 0.980 no .
C12 H12B 0.980 no .
C12 H12C 0.980 no .
C13 H13A 0.990 no .
C13 H13B 0.990 no .
C14 H14A 0.990 no .
C14 H14B 0.990 no .
C16 H16 0.950 no .
C17 H17 0.950 no .
C18 H18 0.950 no .
C19 H19 0.950 no .
C20 H20 0.950 no .
C22 H22 0.950 no .
C23 H23 0.950 no .
C24 H24 0.950 no .
C25 H25 0.950 no .
C26 H26 0.950 no .
C28 H28 0.950 no .
C29 H29 0.950 no .
C30 H30 0.950 no .
C31 H31 0.950 no .
C32 H32 0.950 no .
C34 H34 0.950 no .
C35 H35 0.950 no .
C36 H36 0.950 no .
C37 H37 0.950 no .
C38 H38 0.950 no .
C40 H40 0.950 no .
C41 H41 0.950 no .
C44 H44A 0.980 no .
C44 H44B 0.980 no .
C44 H44C 0.980 no .
C45 H45A 0.980 no .
C45 H45B 0.980 no .
C45 H45C 0.980 no .
C46 H46A 0.980 no .
C46 H46B 0.980 no .
C46 H46C 0.980 no .
C48 H48A 0.980 no .
C48 H48B 0.980 no .
C48 H48C 0.980 no .
C49 H49A 0.980 no .
C49 H49B 0.980 no .
C49 H49C 0.980 no .
C50 H50A 0.980 no .
C50 H50B 0.980 no .
C50 H50C 0.980 no .
C51 H51A 0.990 no .
C51 H51B 0.990 no .
C52 H52A 0.990 no .
C52 H52B 0.990 no .
C54 H54 0.950 no .
C55 H55 0.950 no .
C56 H56 0.950 no .
C57 H57 0.950 no .
C58 H58 0.950 no .
C60 H60 0.950 no .
C61 H61 0.950 no .
C62 H62 0.950 no .
C63 H63 0.950 no .
C64 H64 0.950 no .
C66 H66 0.950 no .
C67 H67 0.950 no .
C68 H68 0.950 no .
C69 H69 0.950 no .
C70 H70 0.950 no .
C72 H72 0.950 no .
C73 H73 0.950 no .
C74 H74 0.950 no .
C75 H75 0.950 no .
C76 H76 0.950 no .
C77 H77 0.950 no .
C78 H78 0.950 no .
C79 H79 0.950 no .
C80 H80 0.950 no .
C81 H81 0.950 no .
C82 H82 0.950 no .
C83 H83 0.950 no .
C84 H84 0.950 no .
C85 H85 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ni1 C7 3.596(7) no .
Cl2 C8 3.533(8) no .
Cl3 C12 3.520(8) no .
Cl3 C32 3.445(7) no .
Cl3 C38 3.292(8) no .
Cl6 C50 3.558(8) no .
Cl6 C70 3.368(7) no .
C2 C6 2.949(11) no .
C2 C7 3.425(9) no .
C2 C16 3.446(8) no .
C3 C10 3.138(9) no .
C3 C11 3.096(9) no .
C11 C22 3.502(9) no .
C13 C20 3.107(10) no .
C13 C26 3.194(10) no .
C14 C21 3.473(9) no .
C14 C26 3.588(9) no .
C14 C28 3.221(10) no .
C14 C34 3.245(10) no .
C15 C18 2.780(10) no .
C15 C22 3.512(10) no .
C16 C19 2.808(11) no .
C16 C21 3.400(9) no .
C16 C22 3.489(10) no .
C17 C20 2.795(11) no .
C21 C24 2.825(10) no .
C22 C25 2.778(10) no .
C23 C26 2.799(10) no .
C27 C30 2.818(10) no .
C27 C34 3.356(10) no .
C28 C31 2.773(9) no .
C29 C32 2.777(11) no .
C32 C33 3.108(9) no .
C32 C34 3.433(11) no .
C33 C36 2.826(11) no .
C34 C37 2.773(11) no .
C35 C38 2.772(10) no .
C40 C44 3.101(10) no .
C40 C45 3.095(9) no .
C40 C53 3.495(9) no .
C40 C54 3.537(10) no .
C41 C48 2.987(10) no .
C41 C49 3.210(10) no .
C41 C54 3.544(10) no .
C46 C76 3.577(9) no .
C49 C64 3.364(10) no .
C51 C58 3.181(10) no .
C51 C64 3.544(11) no .
C52 C59 3.366(9) no .
C52 C64 3.448(10) no .
C52 C66 3.365(9) no .
C52 C72 3.155(10) no .
C53 C56 2.764(11) no .
C53 C60 3.099(11) no .
C54 C57 2.774(12) no .
C54 C59 3.400(10) no .
C54 C60 3.417(11) no .
C55 C58 2.784(11) no .
C59 C62 2.819(12) no .
C60 C63 2.765(12) no .
C61 C64 2.775(11) no .
C65 C68 2.796(10) no .
C65 C76 3.222(9) no .
C66 C69 2.771(10) no .
C66 C71 3.208(9) no .
C66 C76 3.455(9) no .
C67 C70 2.772(9) no .
C71 C74 2.799(10) no .
C72 C75 2.781(9) no .
C73 C76 2.773(10) no .
C77 C77 2.734(14) no 2_575
C78 C78 2.744(13) no 2_575
C79 C79 2.766(15) no 2_575
C80 C83 2.68(3) no .
C81 C84 2.65(3) no .
C82 C85 2.66(3) no .
Cl1 C22 3.567(7) no 2_566
Cl3 C58 3.435(7) no 2_566
Cl4 C55 3.515(9) no 2_677
Cl5 C62 3.592(10) no 1_655
C12 C60 3.577(10) no 2_566
C18 C18 3.597(12) no 2_576
C18 C68 3.591(10) no .
C19 C68 3.472(10) no .
C22 Cl1 3.567(7) no 2_566
C55 Cl4 3.515(9) no 2_677
C58 Cl3 3.435(7) no 2_566
C60 C12 3.577(10) no 2_566
C61 C77 3.492(14) no 2_576
C62 Cl5 3.592(10) no 1_455
C67 C68 3.584(10) no 2_676
C68 C18 3.591(10) no .
C68 C19 3.472(10) no .
C68 C67 3.584(10) no 2_676
C77 C61 3.492(14) no 2_576
Ta1 H8B 3.4345 no .
Ta1 H10A 3.5832 no .
Ta1 H12A 3.5480 no .
Ta1 H38 3.4446 no .
Ta2 H44B 3.5287 no .
Ta2 H46C 3.5491 no .
Ta2 H50B 3.4892 no .
Ni1 H7A 3.4099 no .
Ni1 H7C 3.3450 no .
Ni1 H11B 3.2327 no .
Ni1 H13A 3.4508 no .
Ni1 H14A 3.5941 no .
Ni1 H22 3.5072 no .
Ni1 H38 3.2826 no .
Ni2 H45C 3.2961 no .
Ni2 H49B 3.4506 no .
Ni2 H49C 3.5479 no .
Ni2 H51A 3.3942 no .
Ni2 H64 3.3948 no .
Ni2 H70 3.1804 no .
Cl1 H10A 3.0793 no .
Cl1 H10C 3.5088 no .
Cl1 H3 3.4523 no .
Cl2 H8A 3.4856 no .
Cl2 H8B 2.8055 no .
Cl3 H12A 3.0063 no .
Cl3 H12B 3.2986 no .
Cl3 H32 2.9829 no .
Cl3 H38 2.7377 no .
Cl4 H48C 3.0212 no .
Cl4 H41 3.5800 no .
Cl5 H44B 3.3506 no .
Cl5 H46C 2.9779 no .
Cl6 H50B 3.3139 no .
Cl6 H50C 3.0586 no .
Cl6 H70 3.0308 no .
Cl6 H76 2.7800 no .
P1 H7C 3.2374 no .
P1 H14A 2.9089 no .
P1 H14B 3.5971 no .
P1 H16 2.8817 no .
P1 H20 2.9374 no .
P1 H22 2.8482 no .
P1 H26 2.9730 no .
P1 H2 3.3682 no .
P2 H13A 2.9816 no .
P2 H28 2.9198 no .
P2 H32 2.9240 no .
P2 H34 2.9130 no .
P2 H38 2.9165 no .
P3 H52A 2.9411 no .
P3 H54 2.8273 no .
P3 H58 2.9228 no .
P3 H60 2.9520 no .
P3 H64 2.8781 no .
P3 H40 3.4265 no .
P3 H41 3.3689 no .
P4 H51A 3.0285 no .
P4 H64 3.3527 no .
P4 H66 2.9184 no .
P4 H70 2.8846 no .
P4 H72 2.9561 no .
P4 H76 2.8667 no .
C1 H6A 2.6775 no .
C1 H6B 3.3531 no .
C1 H6C 2.6949 no .
C1 H7A 2.7349 no .
C1 H7B 3.3910 no .
C1 H7C 2.7480 no .
C1 H8A 2.7301 no .
C1 H8B 2.7322 no .
C1 H8C 3.3832 no .
C1 H38 2.9110 no .
C1 H3 3.4176 no .
C2 H6A 2.6633 no .
C2 H6C 3.0566 no .
C2 H7C 3.2143 no .
C2 H16 3.0649 no .
C3 H10A 3.3801 no .
C3 H10C 2.8643 no .
C3 H11B 3.3154 no .
C3 H11C 2.8215 no .
C3 H16 3.4382 no .
C3 H22 3.0255 no .
C4 H10A 2.6631 no .
C4 H10B 3.3513 no .
C4 H10C 2.6973 no .
C4 H11A 3.3850 no .
C4 H11B 2.7437 no .
C4 H11C 2.7437 no .
C4 H12A 2.6819 no .
C4 H12B 2.7521 no .
C4 H12C 3.3700 no .
C4 H2 3.3726 no .
C5 H38 3.1764 no .
C5 H2 2.7638 no .
C6 H7A 3.3517 no .
C6 H7B 2.6915 no .
C6 H7C 2.6913 no .
C6 H8A 3.3328 no .
C6 H8B 2.6631 no .
C6 H8C 2.6632 no .
C6 H2 2.6327 no .
C7 H6A 2.7089 no .
C7 H6B 2.6619 no .
C7 H6C 3.3562 no .
C7 H8A 2.6885 no .
C7 H8B 3.3508 no .
C7 H8C 2.6552 no .
C7 H13A 3.4926 no .
C7 H38 3.1772 no .
C7 H2 3.4679 no .
C8 H6A 3.3360 no .
C8 H6B 2.6590 no .
C8 H6C 2.6591 no .
C8 H7A 2.6962 no .
C8 H7B 2.6525 no .
C8 H7C 3.3489 no .
C8 H38 3.0649 no .
C9 H3 2.7176 no .
C10 H11A 2.6771 no .
C10 H11B 3.3509 no .
C10 H11C 2.6670 no .
C10 H12A 2.6904 no .
C10 H12B 3.3520 no .
C10 H12C 2.6521 no .
C10 H3 3.0033 no .
C11 H10A 3.3454 no .
C11 H10B 2.6789 no .
C11 H10C 2.6789 no .
C11 H12A 3.3506 no .
C11 H12B 2.6911 no .
C11 H12C 2.6910 no .
C11 H22 3.2570 no .
C11 H28 3.3654 no .
C11 H3 2.9230 no .
C12 H10A 2.6872 no .
C12 H10B 2.6623 no .
C12 H10C 3.3494 no .
C12 H11A 2.6616 no .
C12 H11B 2.7147 no .
C12 H11C 3.3524 no .
C13 H7C 3.5855 no .
C13 H20 2.6126 no .
C13 H26 2.7289 no .
C14 H26 3.1322 no .
C14 H28 2.9016 no .
C14 H34 2.9097 no .
C15 H7C 2.7743 no .
C15 H13A 3.0238 no .
C15 H13B 3.1289 no .
C15 H17 3.2909 no .
C15 H19 3.2833 no .
C15 H22 3.4441 no .
C15 H2 3.2049 no .
C16 H6A 3.3206 no .
C16 H7C 3.4355 no .
C16 H18 3.2792 no .
C16 H20 3.2939 no .
C16 H22 3.1641 no .
C16 H2 2.7445 no .
C17 H6A 3.4474 no .
C17 H19 3.2682 no .
C17 H2 3.5882 no .
C18 H16 3.2845 no .
C18 H20 3.2488 no .
C19 H7C 3.4442 no .
C19 H17 3.2662 no .
C20 H7C 2.7990 no .
C20 H13A 2.8964 no .
C20 H13B 3.0977 no .
C20 H16 3.2970 no .
C20 H18 3.2473 no .
C21 H11B 3.5241 no .
C21 H11C 3.5717 no .
C21 H13B 2.9615 no .
C21 H14A 3.1083 no .
C21 H16 3.2308 no .
C21 H23 3.3000 no .
C21 H25 3.2832 no .
C22 H11B 3.3391 no .
C22 H11C 2.7842 no .
C22 H16 2.9742 no .
C22 H24 3.2814 no .
C22 H26 3.2632 no .
C22 H3 3.2850 no .
C23 H11C 3.2598 no .
C23 H25 3.2771 no .
C24 H22 3.2740 no .
C24 H26 3.2875 no .
C25 H23 3.2810 no .
C26 H13B 2.8203 no .
C26 H14A 3.0061 no .
C26 H22 3.2603 no .
C26 H24 3.2911 no .
C27 H11B 3.3640 no .
C27 H12B 2.7568 no .
C27 H14A 2.8713 no .
C27 H14B 3.1592 no .
C27 H29 3.2888 no .
C27 H31 3.2852 no .
C27 H34 3.1652 no .
C28 H11B 2.8220 no .
C28 H12B 2.8196 no .
C28 H14A 2.7608 no .
C28 H14B 3.5831 no .
C28 H30 3.2685 no .
C28 H32 3.2747 no .
C29 H11B 3.5994 no .
C29 H12B 3.1113 no .
C29 H31 3.2470 no .
C30 H12B 3.2622 no .
C30 H28 3.2615 no .
C30 H32 3.2667 no .
C31 H12B 3.1592 no .
C31 H29 3.2491 no .
C32 H12B 2.9248 no .
C32 H28 3.2748 no .
C32 H30 3.2701 no .
C32 H34 3.3961 no .
C33 H7A 3.2114 no .
C33 H13A 3.3598 no .
C33 H14B 2.8408 no .
C33 H32 2.6831 no .
C33 H35 3.2870 no .
C33 H37 3.2788 no .
C34 H14B 2.7301 no .
C34 H32 3.0592 no .
C34 H36 3.2856 no .
C34 H38 3.2631 no .
C35 H37 3.2375 no .
C36 H34 3.2755 no .
C36 H38 3.2839 no .
C37 H7A 3.3965 no .
C37 H8A 3.2352 no .
C37 H35 3.2397 no .
C38 H7A 2.6991 no .
C38 H8A 2.9641 no .
C38 H32 3.1742 no .
C38 H34 3.2630 no .
C38 H36 3.2908 no .
C39 H44A 3.3399 no .
C39 H44B 2.6665 no .
C39 H44C 2.6665 no .
C39 H45A 3.3770 no .
C39 H45B 2.7326 no .
C39 H45C 2.7328 no .
C39 H46A 3.3874 no .
C39 H46B 2.7436 no .
C39 H46C 2.7437 no .
C39 H41 3.3893 no .
C40 H44B 3.3730 no .
C40 H44C 2.7892 no .
C40 H45B 2.8023 no .
C40 H45C 3.3350 no .
C40 H54 3.3712 no .
C41 H48B 2.6766 no .
C41 H48C 3.1997 no .
C41 H49B 3.5177 no .
C41 H49C 2.9370 no .
C41 H54 3.0015 no .
C42 H48A 3.3472 no .
C42 H48B 2.6885 no .
C42 H48C 2.6884 no .
C42 H49A 3.3797 no .
C42 H49B 2.7394 no .
C42 H49C 2.7394 no .
C42 H50A 3.3408 no .
C42 H50B 2.6816 no .
C42 H50C 2.6816 no .
C42 H70 3.0856 no .
C42 H40 3.4045 no .
C43 H40 2.7050 no .
C44 H45A 2.7257 no .
C44 H45B 2.7144 no .
C44 H45C 3.3838 no .
C44 H46A 2.7031 no .
C44 H46B 3.3626 no .
C44 H46C 2.6590 no .
C44 H40 2.9631 no .
C45 H44A 2.7107 no .
C45 H44B 3.3799 no .
C45 H44C 2.7389 no .
C45 H46A 2.6750 no .
C45 H46B 2.7308 no .
C45 H46C 3.3659 no .
C45 H51A 3.4247 no .
C45 H40 2.9043 no .
C46 H44A 2.6825 no .
C46 H44B 2.6787 no .
C46 H44C 3.3632 no .
C46 H45A 2.6715 no .
C46 H45B 3.3699 no .
C46 H45C 2.7245 no .
C47 H70 3.2301 no .
C47 H41 2.6719 no .
C48 H49A 2.6824 no .
C48 H49B 3.3582 no .
C48 H49C 2.7004 no .
C48 H50A 2.6694 no .
C48 H50B 2.6681 no .
C48 H50C 3.3406 no .
C48 H41 2.7547 no .
C49 H48A 2.6694 no .
C49 H48B 2.7082 no .
C49 H48C 3.3599 no .
C49 H50A 2.6463 no .
C49 H50B 3.3424 no .
C49 H50C 2.6805 no .
C49 H64 3.0229 no .
C49 H70 3.1017 no .
C49 H41 3.0721 no .
C50 H48A 2.6714 no .
C50 H48B 3.3381 no .
C50 H48C 2.6723 no .
C50 H49A 2.6617 no .
C50 H49B 2.6768 no .
C50 H49C 3.3380 no .
C50 H70 3.0856 no .
C51 H45C 3.3713 no .
C51 H58 2.7010 no .
C51 H64 3.5442 no .
C51 H72 3.0376 no .
C52 H64 3.1147 no .
C52 H66 3.1866 no .
C52 H72 2.7194 no .
C53 H45B 3.3387 no .
C53 H51A 3.0877 no .
C53 H51B 3.1742 no .
C53 H55 3.2698 no .
C53 H57 3.2701 no .
C53 H60 2.6319 no .
C53 H40 3.0957 no .
C53 H41 3.5413 no .
C54 H56 3.2351 no .
C54 H58 3.2532 no .
C54 H60 2.9312 no .
C54 H40 3.0276 no .
C54 H41 3.0019 no .
C55 H57 3.2731 no .
C56 H54 3.2335 no .
C56 H58 3.2628 no .
C57 H55 3.2773 no .
C58 H45B 3.1524 no .
C58 H51A 2.9789 no .
C58 H51B 3.2084 no .
C58 H54 3.2528 no .
C58 H56 3.2574 no .
C58 H60 3.2519 no .
C59 H49B 3.5659 no .
C59 H49C 3.2186 no .
C59 H51B 2.8591 no .
C59 H52A 2.9990 no .
C59 H54 3.2195 no .
C59 H61 3.3196 no .
C59 H63 3.2624 no .
C60 H51B 3.3293 no .
C60 H54 3.3873 no .
C60 H62 3.2939 no .
C60 H64 3.2512 no .
C61 H63 3.2252 no .
C62 H60 3.2873 no .
C62 H64 3.2585 no .
C63 H49B 3.5451 no .
C63 H61 3.2256 no .
C64 H49B 2.8383 no .
C64 H49C 3.0167 no .
C64 H52A 2.7817 no .
C64 H60 3.2468 no .
C64 H62 3.2711 no .
C65 H52A 2.8240 no .
C65 H52B 3.2126 no .
C65 H64 3.3479 no .
C65 H67 3.2722 no .
C65 H69 3.2753 no .
C65 H76 2.9442 no .
C66 H52A 3.2638 no .
C66 H52B 3.3197 no .
C66 H68 3.2683 no .
C66 H70 3.2685 no .
C66 H76 3.3435 no .
C67 H69 3.2371 no .
C68 H66 3.2654 no .
C68 H70 3.2621 no .
C69 H50C 3.4028 no .
C69 H67 3.2360 no .
C70 H49B 3.0691 no .
C70 H50C 3.0323 no .
C70 H64 3.1585 no .
C70 H66 3.2680 no .
C70 H68 3.2667 no .
C71 H45C 3.3306 no .
C71 H46B 2.7379 no .
C71 H51A 3.5208 no .
C71 H52B 2.8040 no .
C71 H66 2.8853 no .
C71 H73 3.2769 no .
C71 H75 3.2859 no .
C72 H45C 3.1092 no .
C72 H46B 2.9839 no .
C72 H51A 3.2222 no .
C72 H52B 2.7176 no .
C72 H66 3.5111 no .
C72 H74 3.2699 no .
C72 H76 3.2594 no .
C73 H46B 3.1896 no .
C73 H75 3.2611 no .
C74 H46B 3.1646 no .
C74 H72 3.2668 no .
C74 H76 3.2542 no .
C75 H46B 2.8992 no .
C75 H73 3.2607 no .
C76 H46B 2.6607 no .
C76 H66 3.2661 no .
C76 H72 3.2629 no .
C76 H74 3.2565 no .
C77 H78 3.2378 no 2_575
C77 H79 3.2398 no .
C78 H77 3.2372 no 2_575
C78 H79 3.2373 no 2_575
C79 H77 3.2371 no .
C79 H78 3.2353 no 2_575
C80 H82 3.2473 no .
C80 H84 3.1818 no .
C81 H83 3.0657 no .
C81 H85 3.2285 no .
C82 H80 3.2497 no .
C82 H84 3.0745 no .
C83 H81 3.0603 no .
C83 H85 3.1954 no .
C84 H80 3.1974 no .
C84 H82 3.0841 no .
C85 H81 3.2150 no .
C85 H83 3.1915 no .
H6A H7A 3.5962 no .
H6A H7B 3.0044 no .
H6A H7C 2.5276 no .
H6A H8B 3.5615 no .
H6A H8C 3.5616 no .
H6A H16 3.4871 no .
H6A H2 2.0743 no .
H6B H7A 3.5609 no .
H6B H7B 2.4773 no .
H6B H7C 2.9350 no .
H6B H8A 3.5554 no .
H6B H8B 2.9408 no .
H6B H8C 2.4673 no .
H6B H2 3.5403 no .
H6C H7B 3.5761 no .
H6C H7C 3.5982 no .
H6C H8A 3.5556 no .
H6C H8B 2.4673 no .
H6C H8C 2.9410 no .
H6C H2 2.8069 no .
H7A H8A 2.5200 no .
H7A H8B 3.5975 no .
H7A H8C 2.9578 no .
H7A H13A 3.0883 no .
H7A H38 2.4238 no .
H7B H8A 2.9424 no .
H7B H8B 3.5485 no .
H7B H8C 2.4375 no .
H7C H8A 3.5922 no .
H7C H8C 3.5462 no .
H7C H13A 2.9881 no .
H7C H20 2.9569 no .
H7C H2 3.0916 no .
H8A H37 2.8272 no .
H8A H38 2.2726 no .
H10A H11A 3.5712 no .
H10A H11C 3.5635 no .
H10A H12A 2.5117 no .
H10A H12B 3.5921 no .
H10A H12C 2.9399 no .
H10A H3 3.4249 no .
H10B H11A 2.4891 no .
H10B H11B 3.5799 no .
H10B H11C 2.9472 no .
H10B H12A 2.9593 no .
H10B H12B 3.5553 no .
H10B H12C 2.4443 no .
H10C H11A 2.9619 no .
H10C H11B 3.5752 no .
H10C H11C 2.4782 no .
H10C H12A 3.5892 no .
H10C H12C 3.5482 no .
H10C H3 2.4742 no .
H11A H12A 3.5613 no .
H11A H12B 2.9332 no .
H11A H12C 2.4775 no .
H11B H12B 2.5346 no .
H11B H12C 3.0117 no .
H11B H22 3.2890 no .
H11B H28 2.4153 no .
H11B H3 3.3040 no .
H11C H12B 3.5975 no .
H11C H12C 3.5721 no .
H11C H22 2.4317 no .
H11C H23 3.2906 no .
H11C H3 2.3771 no .
H12B H28 3.2545 no .
H12B H32 3.4357 no .
H13A H14A 2.8799 no .
H13A H14B 2.3543 no .
H13A H20 2.2761 no .
H13B H14A 2.3484 no .
H13B H14B 2.4295 no .
H13B H20 2.5056 no .
H13B H26 2.1550 no .
H14A H26 2.6106 no .
H14A H28 2.2240 no .
H14A H34 3.5204 no .
H14B H28 3.4125 no .
H14B H34 2.2200 no .
H16 H17 2.3736 no .
H16 H22 2.4574 no .
H16 H2 2.3904 no .
H16 H3 3.1180 no .
H17 H18 2.3359 no .
H18 H19 2.3112 no .
H19 H20 2.3437 no .
H22 H23 2.3450 no .
H22 H3 2.4178 no .
H23 H24 2.3566 no .
H24 H25 2.3568 no .
H25 H26 2.3399 no .
H28 H29 2.3358 no .
H29 H30 2.3284 no .
H30 H31 2.3393 no .
H31 H32 2.3249 no .
H32 H34 3.2667 no .
H32 H38 3.4726 no .
H34 H35 2.3499 no .
H35 H36 2.3242 no .
H36 H37 2.3477 no .
H37 H38 2.3394 no .
H44A H45A 2.5345 no .
H44A H45B 2.9754 no .
H44A H46A 2.5100 no .
H44A H46B 3.5911 no .
H44A H46C 2.9253 no .
H44B H46A 2.9842 no .
H44B H46B 3.5678 no .
H44B H46C 2.4589 no .
H44B H40 3.4239 no .
H44C H45A 3.0339 no .
H44C H45B 2.5526 no .
H44C H46A 3.5984 no .
H44C H46C 3.5628 no .
H44C H40 2.4067 no .
H45A H46A 2.4561 no .
H45A H46B 2.9823 no .
H45A H46C 3.5580 no .
H45B H46A 3.5653 no .
H45B H51A 3.4353 no .
H45B H58 3.1348 no .
H45B H40 2.3462 no .
H45C H46A 2.9776 no .
H45C H46B 2.5727 no .
H45C H51A 2.5919 no .
H45C H58 3.3741 no .
H45C H72 2.9170 no .
H45C H40 3.3094 no .
H46B H72 3.5470 no .
H46B H75 3.4267 no .
H46B H76 3.0764 no .
H48A H49A 2.4716 no .
H48A H49B 3.5649 no .
H48A H49C 2.9546 no .
H48A H50A 2.4801 no .
H48A H50B 2.9499 no .
H48A H50C 3.5686 no .
H48A H41 3.5963 no .
H48B H49A 2.9849 no .
H48B H49C 2.5325 no .
H48B H50A 3.5643 no .
H48B H50B 3.5639 no .
H48B H41 2.1673 no .
H48C H49A 3.5713 no .
H48C H50A 2.9532 no .
H48C H50B 2.4799 no .
H48C H50C 3.5688 no .
H48C H41 3.1321 no .
H49A H50A 2.4464 no .
H49A H50B 3.5541 no .
H49A H50C 2.9592 no .
H49A H64 3.5940 no .
H49B H50A 2.9315 no .
H49B H50B 3.5818 no .
H49B H50C 2.4994 no .
H49B H63 3.5644 no .
H49B H64 2.2925 no .
H49B H70 2.2940 no .
H49B H41 3.5669 no .
H49C H50A 3.5429 no .
H49C H50C 3.5762 no .
H49C H54 3.3506 no .
H49C H64 2.9200 no .
H49C H41 2.5702 no .
H50C H69 3.0145 no .
H50C H70 2.2686 no .
H51A H52A 2.8927 no .
H51A H52B 2.3612 no .
H51A H58 2.3235 no .
H51A H72 2.4786 no .
H51B H52A 2.3535 no .
H51B H52B 2.4608 no .
H51B H58 2.6816 no .
H51B H60 3.3456 no .
H52A H64 2.4739 no .
H52A H66 3.2460 no .
H52B H66 2.8719 no .
H52B H72 2.2168 no .
H54 H55 2.3406 no .
H54 H60 3.1277 no .
H54 H40 3.0451 no .
H54 H41 2.3054 no .
H55 H56 2.3163 no .
H56 H57 2.3531 no .
H57 H58 2.3459 no .
H60 H61 2.3820 no .
H61 H62 2.3380 no .
H62 H63 2.2974 no .
H63 H64 2.3463 no .
H64 H70 2.9122 no .
H66 H67 2.3394 no .
H66 H76 3.4137 no .
H67 H68 2.3289 no .
H68 H69 2.3179 no .
H69 H70 2.3450 no .
H72 H73 2.3447 no .
H73 H74 2.3374 no .
H74 H75 2.3363 no .
H75 H76 2.3304 no .
H77 H78 2.3003 no .
H77 H79 2.3271 no 2_575
H78 H79 2.3444 no .
H80 H81 2.4507 no .
H80 H85 2.2865 no .
H81 H82 2.2614 no .
H82 H83 2.0972 no .
H83 H84 2.2938 no .
H84 H85 2.3244 no .
H2 H3 2.3973 no .
H40 H41 2.3601 no .
Ta1 H51B 3.5730 no 2_566
Cl1 H10C 3.1103 no 2_566
Cl1 H11C 3.2052 no 2_566
Cl1 H22 2.8264 no 2_566
Cl1 H23 3.1708 no 2_566
Cl1 H52B 3.4031 no 2_566
Cl1 H3 2.7754 no 2_566
Cl2 H51A 2.9978 no 2_566
Cl2 H51B 3.5178 no 2_566
Cl2 H52B 3.5333 no 2_566
Cl2 H72 2.8220 no 2_566
Cl2 H82 2.7143 no 1_455
Cl3 H51A 3.5257 no 2_566
Cl3 H51B 3.0690 no 2_566
Cl3 H58 2.7321 no 2_566
Cl3 H81 3.0744 no 1_455
Cl4 H48B 3.2563 no 2_677
Cl4 H54 3.1353 no 2_677
Cl4 H55 2.9293 no 2_677
Cl4 H78 2.9689 no 2_676
Cl4 H41 3.0909 no 2_677
Cl5 H13A 3.2714 no 2_676
Cl5 H13B 3.1913 no 2_676
Cl5 H20 3.5695 no 2_676
Cl5 H62 2.8369 no 1_655
Cl5 H77 2.8849 no 2_676
Cl5 H78 3.2218 no 2_676
Cl6 H13B 2.8759 no 2_676
Cl6 H20 3.4857 no 2_676
Cl6 H26 3.1543 no 2_676
Cl6 H67 3.1230 no 2_676
Cl6 H68 3.5620 no 2_676
C2 H10C 3.1415 no 2_566
C3 H10C 3.3050 no 2_566
C6 H18 3.4314 no 2_576
C6 H19 3.4724 no 2_576
C6 H75 2.9676 no 1_455
C7 H18 3.3469 no 2_576
C7 H63 3.2352 no 2_576
C8 H25 3.2401 no 1_455
C8 H49A 3.5949 no 2_576
C8 H50A 3.3004 no 2_576
C8 H69 3.4212 no 2_576
C10 H2 3.2838 no 2_566
C11 H74 3.2327 no 2_666
C12 H51B 3.5379 no 2_566
C12 H60 3.4921 no 2_566
C12 H61 3.5941 no 2_566
C14 H55 3.4388 no 1_554
C14 H56 3.3150 no 1_554
C15 H67 3.2635 no .
C17 H52A 3.3601 no .
C17 H63 3.3129 no .
C18 H6B 3.3685 no 2_576
C18 H18 3.3899 no 2_576
C18 H19 3.5013 no 2_576
C18 H63 3.3626 no .
C19 H6B 3.4354 no 2_576
C19 H18 3.2603 no 2_576
C19 H68 3.2794 no .
C20 H67 3.2729 no .
C21 H66 3.5279 no .
C21 H67 3.3402 no .
C22 H66 3.2277 no .
C23 H66 3.0736 no .
C23 H73 3.3341 no 2_666
C24 H66 3.2435 no .
C24 H73 3.4222 no 2_666
C25 H8B 3.5542 no 1_655
C25 H50C 3.3295 no 2_676
C25 H66 3.5345 no .
C25 H67 3.5509 no .
C25 H83 3.2948 no .
C26 H50B 3.3974 no 2_676
C26 H50C 3.4934 no 2_676
C26 H67 3.1022 no .
C26 H83 3.4860 no .
C27 H56 2.9752 no 1_554
C28 H56 2.8868 no 1_554
C28 H84 3.3185 no .
C29 H44A 3.2262 no 2_666
C29 H45A 3.5772 no 2_666
C29 H46A 3.3681 no 2_666
C29 H56 3.2386 no 1_554
C29 H80 3.5952 no 2_665
C29 H84 3.5612 no .
C30 H44A 3.1742 no 2_666
C30 H57 3.4103 no 1_554
C30 H80 3.5720 no 2_665
C31 H31 3.1902 no 2_565
C31 H32 3.3095 no 2_565
C32 H31 3.0655 no 2_565
C32 H56 3.4394 no 1_554
C34 H31 3.3447 no 2_565
C34 H55 3.3888 no 1_554
C34 H56 3.5445 no 1_554
C35 H30 3.1320 no 2_565
C35 H31 3.4041 no 2_565
C36 H30 3.0178 no 2_565
C36 H44A 3.5992 no 1_454
C36 H48A 3.3612 no 2_576
C36 H49A 3.4377 no 2_576
C37 H48A 3.1977 no 2_576
C37 H49A 2.8950 no 2_576
C37 H81 3.4086 no 1_455
C44 H29 3.5607 no 2_666
C44 H30 3.4887 no 2_666
C44 H36 3.0940 no 1_656
C45 H29 3.5371 no 2_666
C45 H85 3.5862 no 1_556
C48 H36 3.5556 no 2_576
C48 H37 3.3995 no 2_576
C48 H44C 3.2312 no 2_677
C49 H37 3.3859 no 2_576
C49 H79 3.5061 no 1_556
C50 H8C 3.3617 no 2_576
C50 H25 3.0141 no 2_676
C50 H26 3.2010 no 2_676
C51 H12A 3.5245 no 2_566
C55 H14B 3.1923 no 1_556
C55 H34 2.7545 no 1_556
C55 H84 3.5086 no 1_556
C56 H14B 3.3515 no 1_556
C56 H34 2.8544 no 1_556
C56 H84 2.8962 no 1_556
C56 H85 3.4377 no 1_556
C57 H81 3.1928 no 2_666
C57 H85 3.3611 no 1_556
C58 H81 3.2901 no 2_666
C59 H79 3.4717 no 1_556
C60 H12A 3.0596 no 2_566
C60 H12C 3.2589 no 2_566
C60 H79 3.2811 no 1_556
C61 H12A 3.4447 no 2_566
C61 H12C 2.9445 no 2_566
C61 H77 3.0166 no 2_576
C61 H79 3.4034 no 1_556
C62 H12C 3.5903 no 2_566
C62 H77 3.0370 no 2_576
C63 H7B 3.3424 no 2_576
C63 H17 2.9120 no .
C63 H18 3.5742 no .
C64 H17 3.0980 no .
C68 H76 3.2455 no 2_676
C69 H6B 3.3169 no 2_576
C69 H8C 3.3670 no 2_576
C69 H67 3.5351 no 2_676
C72 H23 3.4314 no .
C73 H11A 3.4680 no 2_666
C73 H23 3.5338 no .
C73 H24 3.4564 no .
C74 H6C 3.1696 no 1_655
C74 H11A 3.0004 no 2_666
C74 H24 3.4006 no .
C75 H6B 3.5474 no 1_655
C75 H6C 3.0371 no 1_655
C75 H68 3.2954 no 2_676
C76 H68 2.9717 no 2_676
C77 H35 3.3482 no .
C77 H35 3.5536 no 2_575
C77 H61 3.3855 no 2_576
C78 H35 3.3791 no .
C78 H35 3.5281 no 2_575
C79 H35 3.4866 no .
C79 H35 3.4307 no 2_575
C79 H36 3.5898 no 2_575
C79 H49C 3.5701 no 1_554
C80 H37 3.3200 no 1_655
C80 H48A 3.5398 no 2_676
C80 H57 3.4743 no 2_666
C81 H37 3.0357 no 1_655
C81 H57 3.2221 no 2_666
C81 H58 3.4647 no 2_666
C82 H37 3.5629 no 1_655
C82 H45A 3.4981 no 2_666
C82 H50A 3.3733 no 2_676
C83 H28 3.4735 no .
C83 H29 3.5839 no .
C83 H45A 3.5684 no 2_666
C83 H50A 3.2124 no 2_676
C83 H50B 3.5397 no 2_676
C84 H28 3.4840 no .
C84 H29 3.4755 no .
C84 H50A 3.5372 no 2_676
C84 H50B 3.4860 no 2_676
C84 H56 3.2834 no 1_554
C85 H48A 3.4485 no 2_676
H6A H10B 3.4718 no 2_566
H6A H18 3.2896 no 2_576
H6A H19 3.1464 no 2_576
H6A H75 3.2004 no 1_455
H6B C18 3.3685 no 2_576
H6B C19 3.4354 no 2_576
H6B C69 3.3169 no 2_576
H6B C75 3.5474 no 1_455
H6B H18 2.7928 no 2_576
H6B H19 2.9342 no 2_576
H6B H68 3.3299 no 2_576
H6B H69 2.7819 no 2_576
H6B H75 2.7859 no 1_455
H6C C74 3.1696 no 1_455
H6C C75 3.0371 no 1_455
H6C H74 2.7209 no 1_455
H6C H75 2.4651 no 1_455
H7A H49A 3.2944 no 2_576
H7A H63 3.4510 no 2_576
H7B C63 3.3424 no 2_576
H7B H18 2.7354 no 2_576
H7B H49A 3.3467 no 2_576
H7B H49B 3.2480 no 2_576
H7B H63 2.5684 no 2_576
H7C H18 3.1531 no 2_576
H7C H63 3.2236 no 2_576
H8A H25 3.5585 no 1_455
H8A H49A 3.1169 no 2_576
H8A H50A 2.9356 no 2_576
H8A H82 3.3071 no 1_455
H8B C25 3.5542 no 1_455
H8B H24 3.1119 no 1_455
H8B H25 2.8403 no 1_455
H8B H82 3.3998 no 1_455
H8C C50 3.3617 no 2_576
H8C C69 3.3670 no 2_576
H8C H25 2.8583 no 1_455
H8C H49A 3.1989 no 2_576
H8C H49B 3.2445 no 2_576
H8C H50A 2.8870 no 2_576
H8C H50C 2.9694 no 2_576
H8C H69 2.5497 no 2_576
H10A H16 3.1709 no 2_566
H10A H17 3.4747 no 2_566
H10A H51B 3.3560 no 2_566
H10A H52A 3.5405 no 2_566
H10A H2 3.3140 no 2_566
H10A H3 3.5634 no 2_566
H10B H6A 3.4718 no 2_566
H10B H74 3.3136 no 2_666
H10B H75 3.5870 no 2_666
H10B H2 3.3027 no 2_566
H10C Cl1 3.1103 no 2_566
H10C C2 3.1415 no 2_566
H10C C3 3.3050 no 2_566
H10C H74 3.5694 no 2_666
H10C H2 2.7224 no 2_566
H10C H3 3.0098 no 2_566
H11A C73 3.4680 no 2_666
H11A C74 3.0004 no 2_666
H11A H46A 3.0650 no 2_666
H11A H46B 3.5336 no 2_666
H11A H73 3.4595 no 2_666
H11A H74 2.6454 no 2_666
H11C Cl1 3.2052 no 2_566
H11C H74 2.9423 no 2_666
H12A C51 3.5245 no 2_566
H12A C60 3.0596 no 2_566
H12A C61 3.4447 no 2_566
H12A H51B 2.5655 no 2_566
H12A H60 2.9769 no 2_566
H12C C60 3.2589 no 2_566
H12C C61 2.9445 no 2_566
H12C C62 3.5903 no 2_566
H12C H46A 3.1976 no 2_666
H12C H46C 3.5901 no 2_666
H12C H60 3.3359 no 2_566
H12C H61 2.8383 no 2_566
H13A Cl5 3.2714 no 2_676
H13B Cl5 3.1913 no 2_676
H13B Cl6 2.8759 no 2_676
H14A H56 3.1260 no 1_554
H14A H83 3.4551 no .
H14A H84 3.0736 no .
H14B C55 3.1923 no 1_554
H14B C56 3.3515 no 1_554
H14B H55 2.5021 no 1_554
H14B H56 2.8169 no 1_554
H16 H10A 3.1709 no 2_566
H16 H52A 3.3801 no .
H17 C63 2.9120 no .
H17 C64 3.0980 no .
H17 H10A 3.4747 no 2_566
H17 H52A 2.7925 no .
H17 H63 2.6611 no .
H17 H64 2.9838 no .
H18 C6 3.4314 no 2_576
H18 C7 3.3469 no 2_576
H18 C18 3.3899 no 2_576
H18 C19 3.2603 no 2_576
H18 C63 3.5742 no .
H18 H6A 3.2896 no 2_576
H18 H6B 2.7928 no 2_576
H18 H7B 2.7354 no 2_576
H18 H7C 3.1531 no 2_576
H18 H18 3.4424 no 2_576
H18 H19 3.2346 no 2_576
H18 H63 2.7490 no .
H19 C6 3.4724 no 2_576
H19 C18 3.5013 no 2_576
H19 H6A 3.1464 no 2_576
H19 H6B 2.9342 no 2_576
H19 H18 3.2346 no 2_576
H19 H63 3.5751 no 2_576
H19 H68 3.2412 no .
H19 H75 3.2647 no 2_676
H20 Cl5 3.5695 no 2_676
H20 Cl6 3.4857 no 2_676
H20 H62 3.3025 no 2_576
H20 H67 3.4978 no .
H22 Cl1 2.8264 no 2_566
H23 Cl1 3.1708 no 2_566
H23 C72 3.4314 no .
H23 C73 3.5338 no .
H23 H52B 3.3588 no .
H23 H66 3.4082 no .
H23 H72 3.3413 no .
H23 H73 3.5210 no .
H23 H73 3.0663 no 2_666
H24 C73 3.4564 no .
H24 C74 3.4006 no .
H24 H8B 3.1119 no 1_655
H24 H73 3.2216 no 2_666
H24 H74 3.5352 no .
H25 C8 3.2401 no 1_655
H25 C50 3.0141 no 2_676
H25 H8A 3.5585 no 1_655
H25 H8B 2.8403 no 1_655
H25 H8C 2.8583 no 1_655
H25 H50A 2.8015 no 2_676
H25 H50B 3.1212 no 2_676
H25 H50C 2.6283 no 2_676
H25 H69 3.1103 no 2_676
H25 H83 3.1871 no .
H26 Cl6 3.1543 no 2_676
H26 C50 3.2010 no 2_676
H26 H50A 3.5442 no 2_676
H26 H50B 2.6566 no 2_676
H26 H50C 2.9601 no 2_676
H26 H67 3.1790 no .
H26 H83 3.5142 no .
H28 C83 3.4735 no .
H28 C84 3.4840 no .
H28 H56 3.1763 no 1_554
H28 H83 2.8984 no .
H28 H84 2.9873 no .
H29 C44 3.5607 no 2_666
H29 C45 3.5371 no 2_666
H29 C83 3.5839 no .
H29 C84 3.4755 no .
H29 H44A 2.6778 no 2_666
H29 H45A 2.6491 no 2_666
H29 H46A 2.8804 no 2_666
H29 H80 3.1305 no 2_665
H29 H83 3.4828 no .
H29 H84 3.3815 no .
H30 C35 3.1320 no 2_565
H30 C36 3.0178 no 2_565
H30 C44 3.4887 no 2_666
H30 H35 3.2202 no 2_565
H30 H36 3.0235 no 2_565
H30 H44A 2.5704 no 2_666
H30 H57 3.5564 no 1_554
H30 H80 3.1089 no 2_665
H31 C31 3.1902 no 2_565
H31 C32 3.0655 no 2_565
H31 C34 3.3447 no 2_565
H31 C35 3.4041 no 2_565
H31 H31 2.9916 no 2_565
H31 H32 2.7463 no 2_565
H31 H34 3.3086 no 2_565
H31 H35 3.4548 no 2_565
H32 C31 3.3095 no 2_565
H32 H31 2.7463 no 2_565
H32 H57 3.4294 no 2_566
H34 C55 2.7545 no 1_554
H34 C56 2.8544 no 1_554
H34 H31 3.3086 no 2_565
H34 H55 2.5064 no 1_554
H34 H56 2.6775 no 1_554
H35 C77 3.3482 no .
H35 C77 3.5536 no 2_575
H35 C78 3.3791 no .
H35 C78 3.5281 no 2_575
H35 C79 3.4866 no .
H35 C79 3.4307 no 2_575
H35 H30 3.2202 no 2_565
H35 H31 3.4548 no 2_565
H35 H60 3.4325 no 1_554
H35 H61 3.5206 no 1_554
H36 C44 3.0940 no 1_454
H36 C48 3.5556 no 2_576
H36 C79 3.5898 no 2_575
H36 H30 3.0235 no 2_565
H36 H44A 2.9019 no 1_454
H36 H44B 2.8088 no 1_454
H36 H44C 3.0476 no 1_454
H36 H48A 2.8531 no 2_576
H36 H48B 3.3805 no 2_576
H36 H49A 3.4588 no 2_576
H36 H79 3.5419 no 2_575
H37 C48 3.3995 no 2_576
H37 C49 3.3859 no 2_576
H37 C80 3.3200 no 1_455
H37 C81 3.0357 no 1_455
H37 C82 3.5629 no 1_455
H37 H48A 2.5052 no 2_576
H37 H49A 2.4937 no 2_576
H37 H50A 3.0534 no 2_576
H37 H80 3.4396 no 1_455
H37 H81 3.0187 no 1_455
H38 H81 3.4670 no 1_455
H44A C29 3.2262 no 2_666
H44A C30 3.1742 no 2_666
H44A C36 3.5992 no 1_656
H44A H29 2.6778 no 2_666
H44A H30 2.5704 no 2_666
H44A H36 2.9019 no 1_656
H44A H80 3.0068 no 1_556
H44B H36 2.8088 no 1_656
H44B H61 3.4704 no 1_655
H44B H78 3.4632 no 2_676
H44C C48 3.2312 no 2_677
H44C H36 3.0476 no 1_656
H44C H48A 2.9108 no 2_677
H44C H48B 3.0273 no 2_677
H44C H48C 3.2156 no 2_677
H44C H80 3.3353 no 1_556
H44C H85 3.2276 no 1_556
H45A C29 3.5772 no 2_666
H45A C82 3.4981 no 2_666
H45A C83 3.5684 no 2_666
H45A H29 2.6491 no 2_666
H45A H85 3.5241 no 1_556
H45B H85 2.8240 no 1_556
H46A C29 3.3681 no 2_666
H46A H11A 3.0650 no 2_666
H46A H12C 3.1976 no 2_666
H46A H29 2.8804 no 2_666
H46A H61 3.5952 no 1_655
H46B H11A 3.5336 no 2_666
H46C H12C 3.5901 no 2_666
H46C H61 2.9409 no 1_655
H46C H62 3.2854 no 1_655
H48A C36 3.3612 no 2_576
H48A C37 3.1977 no 2_576
H48A C80 3.5398 no 2_676
H48A C85 3.4485 no 2_676
H48A H36 2.8531 no 2_576
H48A H37 2.5052 no 2_576
H48A H44C 2.9108 no 2_677
H48B Cl4 3.2563 no 2_677
H48B H36 3.3805 no 2_576
H48B H44C 3.0273 no 2_677
H48C H44C 3.2156 no 2_677
H48C H84 3.5652 no 2_676
H48C H40 3.3058 no 2_677
H49A C8 3.5949 no 2_576
H49A C36 3.4377 no 2_576
H49A C37 2.8950 no 2_576
H49A H7A 3.2944 no 2_576
H49A H7B 3.3467 no 2_576
H49A H8A 3.1169 no 2_576
H49A H8C 3.1989 no 2_576
H49A H36 3.4588 no 2_576
H49A H37 2.4937 no 2_576
H49A H79 3.5417 no 1_556
H49B H7B 3.2480 no 2_576
H49B H8C 3.2445 no 2_576
H49C C79 3.5701 no 1_556
H49C H79 2.6587 no 1_556
H50A C8 3.3004 no 2_576
H50A C82 3.3733 no 2_676
H50A C83 3.2124 no 2_676
H50A C84 3.5372 no 2_676
H50A H8A 2.9356 no 2_576
H50A H8C 2.8870 no 2_576
H50A H25 2.8015 no 2_676
H50A H26 3.5442 no 2_676
H50A H37 3.0534 no 2_576
H50A H82 3.5576 no 2_676
H50A H83 3.3544 no 2_676
H50B C26 3.3974 no 2_676
H50B C83 3.5397 no 2_676
H50B C84 3.4860 no 2_676
H50B H25 3.1212 no 2_676
H50B H26 2.6566 no 2_676
H50B H83 3.4903 no 2_676
H50B H84 3.3334 no 2_676
H50C C25 3.3295 no 2_676
H50C C26 3.4934 no 2_676
H50C H8C 2.9694 no 2_576
H50C H25 2.6283 no 2_676
H50C H26 2.9601 no 2_676
H51A Cl2 2.9978 no 2_566
H51A Cl3 3.5257 no 2_566
H51B Ta1 3.5730 no 2_566
H51B Cl2 3.5178 no 2_566
H51B Cl3 3.0690 no 2_566
H51B C12 3.5379 no 2_566
H51B H10A 3.3560 no 2_566
H51B H12A 2.5655 no 2_566
H52A C17 3.3601 no .
H52A H10A 3.5405 no 2_566
H52A H16 3.3801 no .
H52A H17 2.7925 no .
H52B Cl1 3.4031 no 2_566
H52B Cl2 3.5333 no 2_566
H52B H23 3.3588 no .
H54 Cl4 3.1353 no 2_677
H54 H78 3.1232 no 1_556
H54 H79 3.1075 no 1_556
H55 Cl4 2.9293 no 2_677
H55 C14 3.4388 no 1_556
H55 C34 3.3888 no 1_556
H55 H14B 2.5021 no 1_556
H55 H34 2.5064 no 1_556
H55 H78 3.2941 no 1_556
H55 H84 3.5522 no 1_556
H56 C14 3.3150 no 1_556
H56 C27 2.9752 no 1_556
H56 C28 2.8868 no 1_556
H56 C29 3.2386 no 1_556
H56 C32 3.4394 no 1_556
H56 C34 3.5445 no 1_556
H56 C84 3.2834 no 1_556
H56 H14A 3.1260 no 1_556
H56 H14B 2.8169 no 1_556
H56 H28 3.1763 no 1_556
H56 H34 2.6775 no 1_556
H56 H84 2.4353 no 1_556
H56 H85 3.5625 no 1_556
H57 C30 3.4103 no 1_556
H57 C80 3.4743 no 2_666
H57 C81 3.2221 no 2_666
H57 H30 3.5564 no 1_556
H57 H32 3.4294 no 2_566
H57 H80 3.1117 no 2_666
H57 H81 2.5716 no 2_666
H57 H85 3.4637 no 1_556
H58 Cl3 2.7321 no 2_566
H58 C81 3.4647 no 2_666
H58 H81 2.7458 no 2_666
H60 C12 3.4921 no 2_566
H60 H12A 2.9769 no 2_566
H60 H12C 3.3359 no 2_566
H60 H35 3.4325 no 1_556
H61 C12 3.5941 no 2_566
H61 C77 3.3855 no 2_576
H61 H12C 2.8383 no 2_566
H61 H35 3.5206 no 1_556
H61 H44B 3.4704 no 1_455
H61 H46A 3.5952 no 1_455
H61 H46C 2.9409 no 1_455
H61 H77 2.9785 no 2_576
H62 Cl5 2.8369 no 1_455
H62 H20 3.3025 no 2_576
H62 H46C 3.2854 no 1_455
H62 H77 3.0419 no 2_576
H63 C7 3.2352 no 2_576
H63 C17 3.3129 no .
H63 C18 3.3626 no .
H63 H7A 3.4510 no 2_576
H63 H7B 2.5684 no 2_576
H63 H7C 3.2236 no 2_576
H63 H17 2.6611 no .
H63 H18 2.7490 no .
H63 H19 3.5751 no 2_576
H64 H17 2.9838 no .
H66 C21 3.5279 no .
H66 C22 3.2277 no .
H66 C23 3.0736 no .
H66 C24 3.2435 no .
H66 C25 3.5345 no .
H66 H23 3.4082 no .
H67 Cl6 3.1230 no 2_676
H67 C15 3.2635 no .
H67 C20 3.2729 no .
H67 C21 3.3402 no .
H67 C25 3.5509 no .
H67 C26 3.1022 no .
H67 C69 3.5351 no 2_676
H67 H20 3.4978 no .
H67 H26 3.1790 no .
H68 Cl6 3.5620 no 2_676
H68 C19 3.2794 no .
H68 C75 3.2954 no 2_676
H68 C76 2.9717 no 2_676
H68 H6B 3.3299 no 2_576
H68 H19 3.2412 no .
H68 H75 2.9946 no 2_676
H68 H76 2.3562 no 2_676
H69 C8 3.4212 no 2_576
H69 H6B 2.7819 no 2_576
H69 H8C 2.5497 no 2_576
H69 H25 3.1103 no 2_676
H72 Cl2 2.8220 no 2_566
H72 H23 3.3413 no .
H73 C23 3.3341 no 2_666
H73 C24 3.4222 no 2_666
H73 H11A 3.4595 no 2_666
H73 H23 3.5210 no .
H73 H23 3.0663 no 2_666
H73 H24 3.2216 no 2_666
H74 C11 3.2327 no 2_666
H74 H6C 2.7209 no 1_655
H74 H10B 3.3136 no 2_666
H74 H10C 3.5694 no 2_666
H74 H11A 2.6454 no 2_666
H74 H11C 2.9423 no 2_666
H74 H24 3.5352 no .
H75 C6 2.9676 no 1_655
H75 H6A 3.2004 no 1_655
H75 H6B 2.7859 no 1_655
H75 H6C 2.4651 no 1_655
H75 H10B 3.5870 no 2_666
H75 H19 3.2647 no 2_676
H75 H68 2.9946 no 2_676
H76 C68 3.2455 no 2_676
H76 H68 2.3562 no 2_676
H77 Cl5 2.8849 no 2_676
H77 C61 3.0166 no 2_576
H77 C62 3.0370 no 2_576
H77 H61 2.9785 no 2_576
H77 H62 3.0419 no 2_576
H78 Cl4 2.9689 no 2_676
H78 Cl5 3.2218 no 2_676
H78 H44B 3.4632 no 2_676
H78 H54 3.1232 no 1_554
H78 H55 3.2941 no 1_554
H79 C49 3.5061 no 1_554
H79 C59 3.4717 no 1_554
H79 C60 3.2811 no 1_554
H79 C61 3.4034 no 1_554
H79 H36 3.5419 no 2_575
H79 H49A 3.5417 no 1_554
H79 H49C 2.6587 no 1_554
H79 H54 3.1075 no 1_554
H80 C29 3.5952 no 2_665
H80 C30 3.5720 no 2_665
H80 H29 3.1305 no 2_665
H80 H30 3.1089 no 2_665
H80 H37 3.4396 no 1_655
H80 H44A 3.0068 no 1_554
H80 H44C 3.3353 no 1_554
H80 H57 3.1117 no 2_666
H80 H85 3.5884 no 2_665
H81 Cl3 3.0744 no 1_655
H81 C37 3.4086 no 1_655
H81 C57 3.1928 no 2_666
H81 C58 3.2901 no 2_666
H81 H37 3.0187 no 1_655
H81 H38 3.4670 no 1_655
H81 H57 2.5716 no 2_666
H81 H58 2.7458 no 2_666
H82 Cl2 2.7143 no 1_655
H82 H8A 3.3071 no 1_655
H82 H8B 3.3998 no 1_655
H82 H50A 3.5576 no 2_676
H83 C25 3.2948 no .
H83 C26 3.4860 no .
H83 H14A 3.4551 no .
H83 H25 3.1871 no .
H83 H26 3.5142 no .
H83 H28 2.8984 no .
H83 H29 3.4828 no .
H83 H50A 3.3544 no 2_676
H83 H50B 3.4903 no 2_676
H84 C28 3.3185 no .
H84 C29 3.5612 no .
H84 C55 3.5086 no 1_554
H84 C56 2.8962 no 1_554
H84 H14A 3.0736 no .
H84 H28 2.9873 no .
H84 H29 3.3815 no .
H84 H48C 3.5652 no 2_676
H84 H50B 3.3334 no 2_676
H84 H55 3.5522 no 1_554
H84 H56 2.4353 no 1_554
H85 C45 3.5862 no 1_554
H85 C56 3.4377 no 1_554
H85 C57 3.3611 no 1_554
H85 H44C 3.2276 no 1_554
H85 H45A 3.5241 no 1_554
H85 H45B 2.8240 no 1_554
H85 H56 3.5625 no 1_554
H85 H57 3.4637 no 1_554
H85 H80 3.5884 no 2_665
H2 C10 3.2838 no 2_566
H2 H10A 3.3140 no 2_566
H2 H10B 3.3027 no 2_566
H2 H10C 2.7224 no 2_566
H3 Cl1 2.7754 no 2_566
H3 H10A 3.5634 no 2_566
H3 H10C 3.0098 no 2_566
H3 H3 3.5800 no 2_566
H40 H48C 3.3058 no 2_677
H41 Cl4 3.0909 no 2_677
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl1 Ta1 Ni1 P1 -43.70(12) no . . .
Cl1 Ta1 Ni1 P2 159.75(6) no . . .
Cl1 Ta1 Ni1 C1 -90.15(7) no . . .
Cl1 Ta1 Ni1 C2 -40.73(7) no . . .
Cl1 Ta1 Ni1 C3 12.14(6) no . . .
Cl1 Ta1 Ni1 C4 60.86(6) no . . .
Cl2 Ta1 Ni1 P1 94.29(13) no . . .
Cl2 Ta1 Ni1 P2 -62.26(10) no . . .
Cl2 Ta1 Ni1 C1 47.84(10) no . . .
Cl2 Ta1 Ni1 C2 97.25(10) no . . .
Cl2 Ta1 Ni1 C3 150.12(9) no . . .
Cl2 Ta1 Ni1 C4 -161.16(9) no . . .
Cl3 Ta1 Ni1 P1 163.56(10) no . . .
Cl3 Ta1 Ni1 P2 7.01(5) no . . .
Cl3 Ta1 Ni1 C1 117.11(5) no . . .
Cl3 Ta1 Ni1 C2 166.52(5) no . . .
Cl3 Ta1 Ni1 C3 -140.61(6) no . . .
Cl3 Ta1 Ni1 C4 -91.89(5) no . . .
Ni1 Ta1 C1 Ni1 0.000(16) no . . .
Ni1 Ta1 C1 C2 -62.9(2) no . . .
Ni1 Ta1 C1 C5 156.0(6) no . . .
C1 Ta1 Ni1 P1 46.5(2) no . . .
C1 Ta1 Ni1 P2 -110.1(2) no . . .
C1 Ta1 Ni1 C1 0.0(2) no . . .
C1 Ta1 Ni1 C2 49.4(2) no . . .
C1 Ta1 Ni1 C3 102.3(2) no . . .
C1 Ta1 Ni1 C4 151.0(2) no . . .
Ni1 Ta1 C2 Ni1 0.00(2) no . . .
Ni1 Ta1 C2 C1 82.7(2) no . . .
Ni1 Ta1 C2 C3 -70.2(2) no . . .
C2 Ta1 Ni1 P1 -3.0(2) no . . .
C2 Ta1 Ni1 P2 -159.5(2) no . . .
C2 Ta1 Ni1 C1 -49.4(2) no . . .
C2 Ta1 Ni1 C2 -0.0(2) no . . .
C2 Ta1 Ni1 C3 52.9(2) no . . .
C2 Ta1 Ni1 C4 101.6(2) no . . .
Ni1 Ta1 C3 Ni1 0.00(3) no . . .
Ni1 Ta1 C3 C2 70.6(2) no . . .
Ni1 Ta1 C3 C4 -80.6(2) no . . .
C3 Ta1 Ni1 P1 -55.8(2) no . . .
C3 Ta1 Ni1 P2 147.6(2) no . . .
C3 Ta1 Ni1 C1 -102.3(2) no . . .
C3 Ta1 Ni1 C2 -52.9(2) no . . .
C3 Ta1 Ni1 C3 0.00(19) no . . .
C3 Ta1 Ni1 C4 48.72(19) no . . .
Ni1 Ta1 C4 Ni1 0.00(3) no . . .
Ni1 Ta1 C4 C3 65.0(2) no . . .
Ni1 Ta1 C4 C9 -155.1(6) no . . .
C4 Ta1 Ni1 P1 -104.6(2) no . . .
C4 Ta1 Ni1 P2 98.9(2) no . . .
C4 Ta1 Ni1 C1 -151.0(2) no . . .
C4 Ta1 Ni1 C2 -101.6(2) no . . .
C4 Ta1 Ni1 C3 -48.7(2) no . . .
C4 Ta1 Ni1 C4 0.00(19) no . . .
Cl1 Ta1 C1 Ni1 117.29(13) no . . .
Cl1 Ta1 C1 C2 54.4(3) no . . .
Cl1 Ta1 C1 C5 -86.7(5) no . . .
Cl1 Ta1 C2 Ni1 147.03(16) no . . .
Cl1 Ta1 C2 C1 -130.28(19) no . . .
Cl1 Ta1 C2 C3 76.81(19) no . . .
Cl1 Ta1 C3 Ni1 -169.75(17) no . . .
Cl1 Ta1 C3 C2 -99.1(2) no . . .
Cl1 Ta1 C3 C4 109.6(2) no . . .
Cl1 Ta1 C4 Ni1 -133.23(13) no . . .
Cl1 Ta1 C4 C3 -68.3(2) no . . .
Cl1 Ta1 C4 C9 71.7(5) no . . .
Cl2 Ta1 C1 Ni1 -157.46(10) no . . .
Cl2 Ta1 C1 C2 139.63(19) no . . .
Cl2 Ta1 C1 C5 -1.5(6) no . . .
Cl2 Ta1 C2 Ni1 -138.86(11) no . . .
Cl2 Ta1 C2 C1 -56.2(3) no . . .
Cl2 Ta1 C2 C3 150.93(12) no . . .
Cl2 Ta1 C3 Ni1 -140.4(3) no . . .
Cl2 Ta1 C3 C2 -69.7(4) no . . .
Cl2 Ta1 C3 C4 139.0(2) no . . .
Cl2 Ta1 C4 Ni1 155.7(3) no . . .
Cl2 Ta1 C4 C3 -139.3(3) no . . .
Cl2 Ta1 C4 C9 0.6(9) no . . .
Cl3 Ta1 C1 Ni1 -70.47(17) no . . .
Cl3 Ta1 C1 C2 -133.38(19) no . . .
Cl3 Ta1 C1 C5 85.5(5) no . . .
Cl3 Ta1 C2 Ni1 -17.9(3) no . . .
Cl3 Ta1 C2 C1 64.8(3) no . . .
Cl3 Ta1 C2 C3 -88.1(2) no . . .
Cl3 Ta1 C3 Ni1 47.5(2) no . . .
Cl3 Ta1 C3 C2 118.18(17) no . . .
Cl3 Ta1 C3 C4 -33.1(3) no . . .
Cl3 Ta1 C4 Ni1 87.07(14) no . . .
Cl3 Ta1 C4 C3 152.0(2) no . . .
Cl3 Ta1 C4 C9 -68.0(5) no . . .
C1 Ta1 C2 Ni1 -82.7(3) no . . .
C1 Ta1 C2 C1 0.0(3) no . . .
C1 Ta1 C2 C3 -152.9(4) no . . .
C2 Ta1 C1 Ni1 62.9(3) no . . .
C2 Ta1 C1 C2 0.0(2) no . . .
C2 Ta1 C1 C5 -141.1(7) no . . .
C1 Ta1 C3 Ni1 -53.9(2) no . . .
C1 Ta1 C3 C2 16.8(2) no . . .
C1 Ta1 C3 C4 -134.5(3) no . . .
C3 Ta1 C1 Ni1 46.32(18) no . . .
C3 Ta1 C1 C2 -16.6(2) no . . .
C3 Ta1 C1 C5 -157.7(6) no . . .
C1 Ta1 C4 Ni1 -22.4(2) no . . .
C1 Ta1 C4 C3 42.6(3) no . . .
C1 Ta1 C4 C9 -177.4(5) no . . .
C4 Ta1 C1 Ni1 21.8(2) no . . .
C4 Ta1 C1 C2 -41.1(3) no . . .
C4 Ta1 C1 C5 177.8(5) no . . .
C2 Ta1 C3 Ni1 -70.6(3) no . . .
C2 Ta1 C3 C2 0.0(2) no . . .
C2 Ta1 C3 C4 -151.2(4) no . . .
C3 Ta1 C2 Ni1 70.2(3) no . . .
C3 Ta1 C2 C1 152.9(4) no . . .
C3 Ta1 C2 C3 -0.0(2) no . . .
C2 Ta1 C4 Ni1 -47.23(18) no . . .
C2 Ta1 C4 C3 17.7(2) no . . .
C2 Ta1 C4 C9 157.7(6) no . . .
C4 Ta1 C2 Ni1 52.9(2) no . . .
C4 Ta1 C2 C1 135.6(3) no . . .
C4 Ta1 C2 C3 -17.4(2) no . . .
C3 Ta1 C4 Ni1 -65.0(3) no . . .
C3 Ta1 C4 C3 0.0(2) no . . .
C3 Ta1 C4 C9 140.0(7) no . . .
C4 Ta1 C3 Ni1 80.6(3) no . . .
C4 Ta1 C3 C2 151.2(5) no . . .
C4 Ta1 C3 C4 0.0(3) no . . .
Cl4 Ta2 Ni2 P3 -9.67(13) no . . .
Cl4 Ta2 Ni2 P4 179.93(7) no . . .
Cl4 Ta2 Ni2 C39 -83.67(8) no . . .
Cl4 Ta2 Ni2 C40 -35.04(8) no . . .
Cl4 Ta2 Ni2 C41 15.59(7) no . . .
Cl4 Ta2 Ni2 C42 62.23(7) no . . .
Cl5 Ta2 Ni2 P3 126.07(12) no . . .
Cl5 Ta2 Ni2 P4 -44.33(10) no . . .
Cl5 Ta2 Ni2 C39 52.07(10) no . . .
Cl5 Ta2 Ni2 C40 100.70(11) no . . .
Cl5 Ta2 Ni2 C41 151.33(9) no . . .
Cl5 Ta2 Ni2 C42 -162.03(9) no . . .
Cl6 Ta2 Ni2 P3 -161.82(10) no . . .
Cl6 Ta2 Ni2 P4 27.78(6) no . . .
Cl6 Ta2 Ni2 C39 124.18(5) no . . .
Cl6 Ta2 Ni2 C40 172.81(4) no . . .
Cl6 Ta2 Ni2 C41 -136.56(6) no . . .
Cl6 Ta2 Ni2 C42 -89.92(5) no . . .
Ni2 Ta2 C39 Ni2 0.00(2) no . . .
Ni2 Ta2 C39 C40 -63.8(2) no . . .
Ni2 Ta2 C39 C43 157.4(6) no . . .
C39 Ta2 Ni2 P3 74.0(2) no . . .
C39 Ta2 Ni2 P4 -96.4(2) no . . .
C39 Ta2 Ni2 C39 -0.0(2) no . . .
C39 Ta2 Ni2 C40 48.6(2) no . . .
C39 Ta2 Ni2 C41 99.3(2) no . . .
C39 Ta2 Ni2 C42 145.9(2) no . . .
Ni2 Ta2 C40 Ni2 0.00(2) no . . .
Ni2 Ta2 C40 C39 82.5(2) no . . .
Ni2 Ta2 C40 C41 -71.6(2) no . . .
C40 Ta2 Ni2 P3 25.4(2) no . . .
C40 Ta2 Ni2 P4 -145.0(2) no . . .
C40 Ta2 Ni2 C39 -48.6(2) no . . .
C40 Ta2 Ni2 C40 0.0(2) no . . .
C40 Ta2 Ni2 C41 50.6(2) no . . .
C40 Ta2 Ni2 C42 97.3(2) no . . .
Ni2 Ta2 C41 Ni2 0.00(4) no . . .
Ni2 Ta2 C41 C40 71.3(2) no . . .
Ni2 Ta2 C41 C42 -86.8(2) no . . .
C41 Ta2 Ni2 P3 -25.3(2) no . . .
C41 Ta2 Ni2 P4 164.3(2) no . . .
C41 Ta2 Ni2 C39 -99.3(2) no . . .
C41 Ta2 Ni2 C40 -50.6(2) no . . .
C41 Ta2 Ni2 C41 0.0(2) no . . .
C41 Ta2 Ni2 C42 46.6(2) no . . .
Ni2 Ta2 C42 Ni2 -0.00(2) no . . .
Ni2 Ta2 C42 C41 61.5(2) no . . .
Ni2 Ta2 C42 C47 -160.3(6) no . . .
C42 Ta2 Ni2 P3 -71.9(2) no . . .
C42 Ta2 Ni2 P4 117.7(2) no . . .
C42 Ta2 Ni2 C39 -145.9(2) no . . .
C42 Ta2 Ni2 C40 -97.3(2) no . . .
C42 Ta2 Ni2 C41 -46.64(19) no . . .
C42 Ta2 Ni2 C42 0.00(19) no . . .
Cl4 Ta2 C39 Ni2 121.08(12) no . . .
Cl4 Ta2 C39 C40 57.3(3) no . . .
Cl4 Ta2 C39 C43 -81.6(5) no . . .
Cl4 Ta2 C40 Ni2 151.59(17) no . . .
Cl4 Ta2 C40 C39 -126.0(2) no . . .
Cl4 Ta2 C40 C41 80.03(19) no . . .
Cl4 Ta2 C41 Ni2 -167.00(18) no . . .
Cl4 Ta2 C41 C40 -95.7(2) no . . .
Cl4 Ta2 C41 C42 106.2(2) no . . .
Cl4 Ta2 C42 Ni2 -132.99(12) no . . .
Cl4 Ta2 C42 C41 -71.5(2) no . . .
Cl4 Ta2 C42 C47 66.7(5) no . . .
Cl5 Ta2 C39 Ni2 -152.31(11) no . . .
Cl5 Ta2 C39 C40 143.9(2) no . . .
Cl5 Ta2 C39 C43 5.1(5) no . . .
Cl5 Ta2 C40 Ni2 -131.77(13) no . . .
Cl5 Ta2 C40 C39 -49.3(3) no . . .
Cl5 Ta2 C40 C41 156.67(12) no . . .
Cl5 Ta2 C41 Ni2 -129.0(3) no . . .
Cl5 Ta2 C41 C40 -57.7(5) no . . .
Cl5 Ta2 C41 C42 144.2(3) no . . .
Cl5 Ta2 C42 Ni2 151.9(3) no . . .
Cl5 Ta2 C42 C41 -146.6(3) no . . .
Cl5 Ta2 C42 C47 -8.4(9) no . . .
Cl6 Ta2 C39 Ni2 -67.06(19) no . . .
Cl6 Ta2 C39 C40 -130.82(18) no . . .
Cl6 Ta2 C39 C43 90.3(5) no . . .
Cl6 Ta2 C40 Ni2 -10.1(3) no . . .
Cl6 Ta2 C40 C39 72.3(3) no . . .
Cl6 Ta2 C40 C41 -81.7(2) no . . .
Cl6 Ta2 C41 Ni2 53.3(2) no . . .
Cl6 Ta2 C41 C40 124.60(17) no . . .
Cl6 Ta2 C41 C42 -33.5(3) no . . .
Cl6 Ta2 C42 Ni2 90.25(13) no . . .
Cl6 Ta2 C42 C41 151.7(2) no . . .
Cl6 Ta2 C42 C47 -70.1(5) no . . .
C39 Ta2 C40 Ni2 -82.5(3) no . . .
C39 Ta2 C40 C39 -0.0(3) no . . .
C39 Ta2 C40 C41 -154.0(4) no . . .
C40 Ta2 C39 Ni2 63.8(3) no . . .
C40 Ta2 C39 C40 0.0(2) no . . .
C40 Ta2 C39 C43 -138.9(7) no . . .
C39 Ta2 C41 Ni2 -55.3(2) no . . .
C39 Ta2 C41 C40 16.0(2) no . . .
C39 Ta2 C41 C42 -142.1(3) no . . .
C41 Ta2 C39 Ni2 48.12(18) no . . .
C41 Ta2 C39 C40 -15.6(2) no . . .
C41 Ta2 C39 C43 -154.5(6) no . . .
C39 Ta2 C42 Ni2 -26.1(2) no . . .
C39 Ta2 C42 C41 35.4(3) no . . .
C39 Ta2 C42 C47 173.6(5) no . . .
C42 Ta2 C39 Ni2 26.9(2) no . . .
C42 Ta2 C39 C40 -36.8(3) no . . .
C42 Ta2 C39 C43 -175.7(5) no . . .
C40 Ta2 C41 Ni2 -71.3(3) no . . .
C40 Ta2 C41 C40 0.0(2) no . . .
C40 Ta2 C41 C42 -158.1(4) no . . .
C41 Ta2 C40 Ni2 71.6(3) no . . .
C41 Ta2 C40 C39 154.0(4) no . . .
C41 Ta2 C40 C41 0.0(2) no . . .
C40 Ta2 C42 Ni2 -48.25(17) no . . .
C40 Ta2 C42 C41 13.2(2) no . . .
C40 Ta2 C42 C47 151.4(6) no . . .
C42 Ta2 C40 Ni2 58.1(2) no . . .
C42 Ta2 C40 C39 140.6(3) no . . .
C42 Ta2 C40 C41 -13.4(2) no . . .
C41 Ta2 C42 Ni2 -61.5(3) no . . .
C41 Ta2 C42 C41 0.0(2) no . . .
C41 Ta2 C42 C47 138.2(7) no . . .
C42 Ta2 C41 Ni2 86.8(3) no . . .
C42 Ta2 C41 C40 158.1(4) no . . .
C42 Ta2 C41 C42 0.0(3) no . . .
Ta1 Ni1 P1 C13 -138.21(11) no . . .
Ta1 Ni1 P1 C15 -20.8(2) no . . .
Ta1 Ni1 P1 C21 104.00(14) no . . .
Ta1 Ni1 P2 C14 175.25(5) no . . .
Ta1 Ni1 P2 C27 -69.64(10) no . . .
Ta1 Ni1 P2 C33 58.97(11) no . . .
Ta1 Ni1 C1 Ta1 0.00(4) no . . .
Ta1 Ni1 C1 C2 87.9(2) no . . .
Ta1 Ni1 C1 C5 -160.0(5) no . . .
Ta1 Ni1 C2 Ta1 -0.000(17) no . . .
Ta1 Ni1 C2 C1 -58.70(17) no . . .
Ta1 Ni1 C2 C3 75.29(18) no . . .
Ta1 Ni1 C3 Ta1 0.0 no . . .
Ta1 Ni1 C3 C2 -73.05(18) no . . .
Ta1 Ni1 C3 C4 60.19(17) no . . .
Ta1 Ni1 C4 Ta1 0.000(10) no . . .
Ta1 Ni1 C4 C3 -87.7(2) no . . .
Ta1 Ni1 C4 C9 160.5(5) no . . .
P1 Ni1 P2 C14 4.49(8) no . . .
P1 Ni1 P2 C27 119.60(10) no . . .
P1 Ni1 P2 C33 -111.79(11) no . . .
P2 Ni1 P1 C13 20.34(8) no . . .
P2 Ni1 P1 C15 137.78(10) no . . .
P2 Ni1 P1 C21 -97.45(9) no . . .
P1 Ni1 C1 Ta1 -160.77(10) no . . .
P1 Ni1 C1 C2 -72.8(2) no . . .
P1 Ni1 C1 C5 39.3(5) no . . .
C1 Ni1 P1 C13 -103.44(18) no . . .
C1 Ni1 P1 C15 14.0(2) no . . .
C1 Ni1 P1 C21 138.77(18) no . . .
P1 Ni1 C2 Ta1 178.78(10) no . . .
P1 Ni1 C2 C1 120.08(19) no . . .
P1 Ni1 C2 C3 -105.93(17) no . . .
C2 Ni1 P1 C13 -140.69(19) no . . .
C2 Ni1 P1 C15 -23.3(2) no . . .
C2 Ni1 P1 C21 101.52(19) no . . .
P1 Ni1 C3 Ta1 159.30(8) no . . .
P1 Ni1 C3 C2 86.3(2) no . . .
P1 Ni1 C3 C4 -140.51(17) no . . .
C3 Ni1 P1 C13 175.43(18) no . . .
C3 Ni1 P1 C15 -67.1(2) no . . .
C3 Ni1 P1 C21 57.6(2) no . . .
P1 Ni1 C4 Ta1 146.31(12) no . . .
P1 Ni1 C4 C3 58.6(3) no . . .
P1 Ni1 C4 C9 -53.2(5) no . . .
C4 Ni1 P1 C13 141.3(2) no . . .
C4 Ni1 P1 C15 -101.3(2) no . . .
C4 Ni1 P1 C21 23.5(2) no . . .
P2 Ni1 C1 Ta1 93.35(18) no . . .
P2 Ni1 C1 C2 -178.73(11) no . . .
P2 Ni1 C1 C5 -66.6(4) no . . .
C1 Ni1 P2 C14 125.86(18) no . . .
C1 Ni1 P2 C27 -119.03(18) no . . .
C1 Ni1 P2 C33 9.58(19) no . . .
P2 Ni1 C2 Ta1 61.7(5) no . . .
P2 Ni1 C2 C1 3.0(6) no . . .
P2 Ni1 C2 C3 137.0(3) no . . .
C2 Ni1 P2 C14 123.7(4) no . . .
C2 Ni1 P2 C27 -121.2(4) no . . .
C2 Ni1 P2 C33 7.4(5) no . . .
P2 Ni1 C3 Ta1 -77.4(3) no . . .
P2 Ni1 C3 C2 -150.40(19) no . . .
P2 Ni1 C3 C4 -17.2(5) no . . .
C3 Ni1 P2 C14 -123.4(3) no . . .
C3 Ni1 P2 C27 -8.3(4) no . . .
C3 Ni1 P2 C33 120.3(3) no . . .
P2 Ni1 C4 Ta1 -101.52(15) no . . .
P2 Ni1 C4 C3 170.75(15) no . . .
P2 Ni1 C4 C9 59.0(4) no . . .
C4 Ni1 P2 C14 -134.82(18) no . . .
C4 Ni1 P2 C27 -19.7(2) no . . .
C4 Ni1 P2 C33 108.90(19) no . . .
C1 Ni1 C2 Ta1 58.7(3) no . . .
C1 Ni1 C2 C1 -0.0(2) no . . .
C1 Ni1 C2 C3 134.0(4) no . . .
C2 Ni1 C1 Ta1 -87.9(3) no . . .
C2 Ni1 C1 C2 -0.0(3) no . . .
C2 Ni1 C1 C5 112.1(5) no . . .
C1 Ni1 C3 Ta1 45.31(17) no . . .
C1 Ni1 C3 C2 -27.73(19) no . . .
C1 Ni1 C3 C4 105.5(3) no . . .
C3 Ni1 C1 Ta1 -57.2(2) no . . .
C3 Ni1 C1 C2 30.7(2) no . . .
C3 Ni1 C1 C5 142.8(4) no . . .
C1 Ni1 C4 Ta1 19.83(19) no . . .
C1 Ni1 C4 C3 -67.9(2) no . . .
C1 Ni1 C4 C9 -179.6(4) no . . .
C4 Ni1 C1 Ta1 -20.4(2) no . . .
C4 Ni1 C1 C2 67.5(2) no . . .
C4 Ni1 C1 C5 179.7(4) no . . .
C2 Ni1 C3 Ta1 73.0(3) no . . .
C2 Ni1 C3 C2 -0.0(2) no . . .
C2 Ni1 C3 C4 133.2(4) no . . .
C3 Ni1 C2 Ta1 -75.3(3) no . . .
C3 Ni1 C2 C1 -134.0(4) no . . .
C3 Ni1 C2 C3 0.0(2) no . . .
C2 Ni1 C4 Ta1 56.6(2) no . . .
C2 Ni1 C4 C3 -31.2(2) no . . .
C2 Ni1 C4 C9 -142.9(4) no . . .
C4 Ni1 C2 Ta1 -47.13(19) no . . .
C4 Ni1 C2 C1 -105.8(3) no . . .
C4 Ni1 C2 C3 28.2(2) no . . .
C3 Ni1 C4 Ta1 87.7(4) no . . .
C3 Ni1 C4 C3 -0.0(3) no . . .
C3 Ni1 C4 C9 -111.7(6) no . . .
C4 Ni1 C3 Ta1 -60.2(3) no . . .
C4 Ni1 C3 C2 -133.2(4) no . . .
C4 Ni1 C3 C4 0.0(3) no . . .
Ta2 Ni2 P3 C51 -144.77(12) no . . .
Ta2 Ni2 P3 C53 -26.3(2) no . . .
Ta2 Ni2 P3 C59 101.89(16) no . . .
Ta2 Ni2 P4 C52 174.14(5) no . . .
Ta2 Ni2 P4 C65 -70.40(10) no . . .
Ta2 Ni2 P4 C71 57.59(11) no . . .
Ta2 Ni2 C39 Ta2 -0.000(11) no . . .
Ta2 Ni2 C39 C40 90.5(2) no . . .
Ta2 Ni2 C39 C43 -160.9(5) no . . .
Ta2 Ni2 C40 Ta2 0.0 no . . .
Ta2 Ni2 C40 C39 -57.70(18) no . . .
Ta2 Ni2 C40 C41 76.3(2) no . . .
Ta2 Ni2 C41 Ta2 -0.0 no . . .
Ta2 Ni2 C41 C40 -75.11(19) no . . .
Ta2 Ni2 C41 C42 58.55(18) no . . .
Ta2 Ni2 C42 Ta2 -0.000(11) no . . .
Ta2 Ni2 C42 C41 -91.5(2) no . . .
Ta2 Ni2 C42 C47 163.5(6) no . . .
P3 Ni2 P4 C52 -2.30(8) no . . .
P3 Ni2 P4 C65 113.16(10) no . . .
P3 Ni2 P4 C71 -118.86(11) no . . .
P4 Ni2 P3 C51 26.38(8) no . . .
P4 Ni2 P3 C53 144.88(10) no . . .
P4 Ni2 P3 C59 -86.96(10) no . . .
P3 Ni2 C39 Ta2 -153.95(10) no . . .
P3 Ni2 C39 C40 -63.4(3) no . . .
P3 Ni2 C39 C43 45.1(5) no . . .
C39 Ni2 P3 C51 -87.8(2) no . . .
C39 Ni2 P3 C53 30.7(2) no . . .
C39 Ni2 P3 C59 158.87(19) no . . .
P3 Ni2 C40 Ta2 -170.60(9) no . . .
P3 Ni2 C40 C39 131.70(19) no . . .
P3 Ni2 C40 C41 -94.3(2) no . . .
C40 Ni2 P3 C51 -123.1(2) no . . .
C40 Ni2 P3 C53 -4.6(2) no . . .
C40 Ni2 P3 C59 123.5(2) no . . .
P3 Ni2 C41 Ta2 170.65(9) no . . .
P3 Ni2 C41 C40 95.54(19) no . . .
P3 Ni2 C41 C42 -130.8(2) no . . .
C41 Ni2 P3 C51 -166.41(19) no . . .
C41 Ni2 P3 C53 -47.9(2) no . . .
C41 Ni2 P3 C59 80.2(2) no . . .
P3 Ni2 C42 Ta2 154.74(10) no . . .
P3 Ni2 C42 C41 63.3(3) no . . .
P3 Ni2 C42 C47 -41.8(5) no . . .
C42 Ni2 P3 C51 159.44(18) no . . .
C42 Ni2 P3 C53 -82.1(2) no . . .
C42 Ni2 P3 C59 46.1(2) no . . .
P4 Ni2 C39 Ta2 102.48(15) no . . .
P4 Ni2 C39 C40 -167.01(15) no . . .
P4 Ni2 C39 C43 -58.5(4) no . . .
C39 Ni2 P4 C52 125.38(18) no . . .
C39 Ni2 P4 C65 -119.16(18) no . . .
C39 Ni2 P4 C71 8.82(19) no . . .
P4 Ni2 C40 Ta2 80.9(3) no . . .
P4 Ni2 C40 C39 23.2(5) no . . .
P4 Ni2 C40 C41 157.18(16) no . . .
C40 Ni2 P4 C52 110.0(3) no . . .
C40 Ni2 P4 C65 -134.5(3) no . . .
C40 Ni2 P4 C71 -6.5(3) no . . .
P4 Ni2 C42 Ta2 -88.74(19) no . . .
P4 Ni2 C42 C41 179.78(11) no . . .
P4 Ni2 C42 C47 74.7(5) no . . .
C42 Ni2 P4 C52 -134.47(19) no . . .
C42 Ni2 P4 C65 -19.0(2) no . . .
C42 Ni2 P4 C71 109.0(2) no . . .
C39 Ni2 C40 Ta2 57.7(3) no . . .
C39 Ni2 C40 C39 -0.0(2) no . . .
C39 Ni2 C40 C41 134.0(4) no . . .
C40 Ni2 C39 Ta2 -90.5(4) no . . .
C40 Ni2 C39 C40 0.0(3) no . . .
C40 Ni2 C39 C43 108.6(6) no . . .
C39 Ni2 C41 Ta2 46.90(18) no . . .
C39 Ni2 C41 C40 -28.2(2) no . . .
C39 Ni2 C41 C42 105.5(3) no . . .
C41 Ni2 C39 Ta2 -60.2(2) no . . .
C41 Ni2 C39 C40 30.3(2) no . . .
C41 Ni2 C39 C43 138.8(5) no . . .
C39 Ni2 C42 Ta2 23.51(19) no . . .
C39 Ni2 C42 C41 -68.0(2) no . . .
C39 Ni2 C42 C47 -173.0(5) no . . .
C42 Ni2 C39 Ta2 -23.88(19) no . . .
C42 Ni2 C39 C40 66.6(2) no . . .
C42 Ni2 C39 C43 175.2(4) no . . .
C40 Ni2 C41 Ta2 75.1(3) no . . .
C40 Ni2 C41 C40 -0.0(2) no . . .
C40 Ni2 C41 C42 133.7(4) no . . .
C41 Ni2 C40 Ta2 -76.3(3) no . . .
C41 Ni2 C40 C39 -134.0(4) no . . .
C41 Ni2 C40 C41 0.0(2) no . . .
C40 Ni2 C42 Ta2 60.8(2) no . . .
C40 Ni2 C42 C41 -30.6(2) no . . .
C40 Ni2 C42 C47 -135.7(5) no . . .
C42 Ni2 C40 Ta2 -48.52(18) no . . .
C42 Ni2 C40 C39 -106.2(3) no . . .
C42 Ni2 C40 C41 27.7(2) no . . .
C41 Ni2 C42 Ta2 91.5(4) no . . .
C41 Ni2 C42 C41 0.0(3) no . . .
C41 Ni2 C42 C47 -105.1(6) no . . .
C42 Ni2 C41 Ta2 -58.6(3) no . . .
C42 Ni2 C41 C40 -133.7(4) no . . .
C42 Ni2 C41 C42 -0.0(2) no . . .
Ni1 P1 C13 C14 -46.8(4) no . . .
Ni1 P1 C15 C16 63.4(4) no . . .
Ni1 P1 C15 C20 -114.5(4) no . . .
Ni1 P1 C21 C22 -52.9(4) no . . .
Ni1 P1 C21 C26 128.3(3) no . . .
C13 P1 C15 C16 -179.3(4) no . . .
C13 P1 C15 C20 2.8(5) no . . .
C15 P1 C13 C14 -173.5(3) no . . .
C13 P1 C21 C22 -170.2(4) no . . .
C13 P1 C21 C26 11.1(5) no . . .
C21 P1 C13 C14 78.9(4) no . . .
C15 P1 C21 C22 80.0(4) no . . .
C15 P1 C21 C26 -98.7(4) no . . .
C21 P1 C15 C16 -68.8(4) no . . .
C21 P1 C15 C20 113.3(4) no . . .
Ni1 P2 C14 C13 -35.0(4) no . . .
Ni1 P2 C27 C28 -71.7(4) no . . .
Ni1 P2 C27 C32 105.2(4) no . . .
Ni1 P2 C33 C34 161.3(3) no . . .
Ni1 P2 C33 C38 -22.8(5) no . . .
C14 P2 C27 C28 45.3(5) no . . .
C14 P2 C27 C32 -137.8(4) no . . .
C27 P2 C14 C13 -162.4(4) no . . .
C14 P2 C33 C34 43.9(5) no . . .
C14 P2 C33 C38 -140.3(4) no . . .
C33 P2 C14 C13 91.7(4) no . . .
C27 P2 C33 C34 -61.9(5) no . . .
C27 P2 C33 C38 113.9(4) no . . .
C33 P2 C27 C28 152.3(4) no . . .
C33 P2 C27 C32 -30.8(5) no . . .
Ni2 P3 C51 C52 -49.9(4) no . . .
Ni2 P3 C53 C54 68.7(5) no . . .
Ni2 P3 C53 C58 -108.3(4) no . . .
Ni2 P3 C59 C60 -154.3(3) no . . .
Ni2 P3 C59 C64 32.0(5) no . . .
C51 P3 C53 C54 -174.6(4) no . . .
C51 P3 C53 C58 8.4(6) no . . .
C53 P3 C51 C52 -174.4(3) no . . .
C51 P3 C59 C60 90.8(5) no . . .
C51 P3 C59 C64 -82.9(5) no . . .
C59 P3 C51 C52 77.7(4) no . . .
C53 P3 C59 C60 -20.5(5) no . . .
C53 P3 C59 C64 165.8(4) no . . .
C59 P3 C53 C54 -68.1(5) no . . .
C59 P3 C53 C58 114.8(5) no . . .
Ni2 P4 C52 C51 -28.3(4) no . . .
Ni2 P4 C65 C66 -178.9(3) no . . .
Ni2 P4 C65 C70 -1.4(5) no . . .
Ni2 P4 C71 C72 95.7(4) no . . .
Ni2 P4 C71 C76 -84.3(4) no . . .
C52 P4 C65 C66 -61.3(5) no . . .
C52 P4 C65 C70 116.3(4) no . . .
C65 P4 C52 C51 -155.9(3) no . . .
C52 P4 C71 C72 -22.3(5) no . . .
C52 P4 C71 C76 157.7(4) no . . .
C71 P4 C52 C51 98.5(4) no . . .
C65 P4 C71 C72 -128.0(4) no . . .
C65 P4 C71 C76 52.0(4) no . . .
C71 P4 C65 C66 45.5(4) no . . .
C71 P4 C65 C70 -136.9(4) no . . .
Ta1 C1 C2 Ta1 0.0 no . . .
Ta1 C1 C2 Ni1 86.03(19) no . . .
Ta1 C1 C2 C3 31.8(5) no . . .
Ta1 C1 C5 C6 98.0(6) no . . .
Ta1 C1 C5 C7 -141.3(5) no . . .
Ta1 C1 C5 C8 -21.3(8) no . . .
Ni1 C1 C2 Ta1 -86.03(19) no . . .
Ni1 C1 C2 Ni1 0.00(2) no . . .
Ni1 C1 C2 C3 -54.2(4) no . . .
Ni1 C1 C5 C6 -114.3(4) no . . .
Ni1 C1 C5 C7 6.4(7) no . . .
Ni1 C1 C5 C8 126.4(4) no . . .
C2 C1 C5 C6 -33.2(7) no . . .
C2 C1 C5 C7 87.5(6) no . . .
C2 C1 C5 C8 -152.5(5) no . . .
C5 C1 C2 Ta1 151.2(6) no . . .
C5 C1 C2 Ni1 -122.7(5) no . . .
C5 C1 C2 C3 -176.9(4) no . . .
Ta1 C2 C3 Ta1 -0.0 no . . .
Ta1 C2 C3 Ni1 86.60(16) no . . .
Ta1 C2 C3 C4 29.3(4) no . . .
Ni1 C2 C3 Ta1 -86.60(16) no . . .
Ni1 C2 C3 Ni1 -0.00(2) no . . .
Ni1 C2 C3 C4 -57.3(4) no . . .
C1 C2 C3 Ta1 -27.8(5) no . . .
C1 C2 C3 Ni1 58.8(5) no . . .
C1 C2 C3 C4 1.5(8) no . . .
Ta1 C3 C4 Ta1 0.00(2) no . . .
Ta1 C3 C4 Ni1 86.17(19) no . . .
Ta1 C3 C4 C9 -152.2(5) no . . .
Ni1 C3 C4 Ta1 -86.17(19) no . . .
Ni1 C3 C4 Ni1 0.00(2) no . . .
Ni1 C3 C4 C9 121.6(4) no . . .
C2 C3 C4 Ta1 -32.6(5) no . . .
C2 C3 C4 Ni1 53.6(5) no . . .
C2 C3 C4 C9 175.2(4) no . . .
Ta1 C4 C9 C10 -63.9(7) no . . .
Ta1 C4 C9 C11 176.6(4) no . . .
Ta1 C4 C9 C12 53.6(8) no . . .
Ni1 C4 C9 C10 148.7(3) no . . .
Ni1 C4 C9 C11 29.2(7) no . . .
Ni1 C4 C9 C12 -93.8(5) no . . .
C3 C4 C9 C10 67.0(6) no . . .
C3 C4 C9 C11 -52.5(7) no . . .
C3 C4 C9 C12 -175.5(5) no . . .
P1 C13 C14 P2 52.5(5) no . . .
P1 C15 C16 C17 -176.9(4) no . . .
P1 C15 C20 C19 176.5(4) no . . .
C16 C15 C20 C19 -1.4(9) no . . .
C20 C15 C16 C17 1.1(8) no . . .
C15 C16 C17 C18 -0.1(9) no . . .
C16 C17 C18 C19 -0.7(10) no . . .
C17 C18 C19 C20 0.4(11) no . . .
C18 C19 C20 C15 0.6(10) no . . .
P1 C21 C22 C23 -177.9(4) no . . .
P1 C21 C26 C25 178.5(4) no . . .
C22 C21 C26 C25 -0.2(8) no . . .
C26 C21 C22 C23 0.9(8) no . . .
C21 C22 C23 C24 -1.0(9) no . . .
C22 C23 C24 C25 0.4(9) no . . .
C23 C24 C25 C26 0.2(10) no . . .
C24 C25 C26 C21 -0.3(10) no . . .
P2 C27 C28 C29 -179.9(4) no . . .
P2 C27 C32 C31 -177.5(4) no . . .
C28 C27 C32 C31 -0.5(8) no . . .
C32 C27 C28 C29 3.0(9) no . . .
C27 C28 C29 C30 -3.7(10) no . . .
C28 C29 C30 C31 1.7(10) no . . .
C29 C30 C31 C32 0.8(10) no . . .
C30 C31 C32 C27 -1.5(9) no . . .
P2 C33 C34 C35 179.9(4) no . . .
P2 C33 C38 C37 -177.5(4) no . . .
C34 C33 C38 C37 -1.6(9) no . . .
C38 C33 C34 C35 3.9(9) no . . .
C33 C34 C35 C36 -3.8(10) no . . .
C34 C35 C36 C37 1.0(11) no . . .
C35 C36 C37 C38 1.4(11) no . . .
C36 C37 C38 C33 -1.1(10) no . . .
Ta2 C39 C40 Ta2 0.0 no . . .
Ta2 C39 C40 Ni2 84.2(2) no . . .
Ta2 C39 C40 C41 30.3(5) no . . .
Ta2 C39 C43 C44 65.0(7) no . . .
Ta2 C39 C43 C45 -174.1(4) no . . .
Ta2 C39 C43 C46 -52.0(7) no . . .
Ni2 C39 C40 Ta2 -84.2(2) no . . .
Ni2 C39 C40 Ni2 0.00(2) no . . .
Ni2 C39 C40 C41 -53.9(4) no . . .
Ni2 C39 C43 C44 -145.8(4) no . . .
Ni2 C39 C43 C45 -24.9(7) no . . .
Ni2 C39 C43 C46 97.2(5) no . . .
C40 C39 C43 C44 -65.3(6) no . . .
C40 C39 C43 C45 55.6(7) no . . .
C40 C39 C43 C46 177.7(4) no . . .
C43 C39 C40 Ta2 151.1(6) no . . .
C43 C39 C40 Ni2 -124.7(5) no . . .
C43 C39 C40 C41 -178.7(4) no . . .
Ta2 C40 C41 Ta2 -0.00(3) no . . .
Ta2 C40 C41 Ni2 83.48(15) no . . .
Ta2 C40 C41 C42 22.6(4) no . . .
Ni2 C40 C41 Ta2 -83.48(16) no . . .
Ni2 C40 C41 Ni2 0.00(2) no . . .
Ni2 C40 C41 C42 -60.9(4) no . . .
C39 C40 C41 Ta2 -26.0(5) no . . .
C39 C40 C41 Ni2 57.5(5) no . . .
C39 C40 C41 C42 -3.4(8) no . . .
Ta2 C41 C42 Ta2 0.0 no . . .
Ta2 C41 C42 Ni2 81.17(19) no . . .
Ta2 C41 C42 C47 -152.1(5) no . . .
Ni2 C41 C42 Ta2 -81.17(19) no . . .
Ni2 C41 C42 Ni2 0.00(2) no . . .
Ni2 C41 C42 C47 126.7(4) no . . .
C40 C41 C42 Ta2 -25.7(6) no . . .
C40 C41 C42 Ni2 55.5(5) no . . .
C40 C41 C42 C47 -177.8(4) no . . .
Ta2 C42 C47 C48 -79.4(7) no . . .
Ta2 C42 C47 C49 159.9(5) no . . .
Ta2 C42 C47 C50 39.9(8) no . . .
Ni2 C42 C47 C48 128.1(4) no . . .
Ni2 C42 C47 C49 7.4(7) no . . .
Ni2 C42 C47 C50 -112.6(5) no . . .
C41 C42 C47 C48 50.5(6) no . . .
C41 C42 C47 C49 -70.2(6) no . . .
C41 C42 C47 C50 169.9(4) no . . .
P3 C51 C52 P4 50.1(5) no . . .
P3 C53 C54 C55 -179.4(5) no . . .
P3 C53 C58 C57 -179.2(5) no . . .
C54 C53 C58 C57 3.8(11) no . . .
C58 C53 C54 C55 -2.3(11) no . . .
C53 C54 C55 C56 0.3(12) no . . .
C54 C55 C56 C57 0.1(13) no . . .
C55 C56 C57 C58 1.5(14) no . . .
C56 C57 C58 C53 -3.4(13) no . . .
P3 C59 C60 C61 -175.3(4) no . . .
P3 C59 C64 C63 174.5(4) no . . .
C60 C59 C64 C63 0.6(10) no . . .
C64 C59 C60 C61 -1.4(10) no . . .
C59 C60 C61 C62 2.3(12) no . . .
C60 C61 C62 C63 -2.2(13) no . . .
C61 C62 C63 C64 1.4(13) no . . .
C62 C63 C64 C59 -0.6(12) no . . .
P4 C65 C66 C67 178.1(4) no . . .
P4 C65 C70 C69 -178.2(4) no . . .
C66 C65 C70 C69 -0.6(8) no . . .
C70 C65 C66 C67 0.6(8) no . . .
C65 C66 C67 C68 -0.9(9) no . . .
C66 C67 C68 C69 1.3(9) no . . .
C67 C68 C69 C70 -1.3(9) no . . .
C68 C69 C70 C65 0.9(9) no . . .
P4 C71 C72 C73 178.4(4) no . . .
P4 C71 C76 C75 -177.9(4) no . . .
C72 C71 C76 C75 2.1(8) no . . .
C76 C71 C72 C73 -1.6(8) no . . .
C71 C72 C73 C74 -0.3(9) no . . .
C72 C73 C74 C75 1.8(9) no . . .
C73 C74 C75 C76 -1.4(9) no . . .
C74 C75 C76 C71 -0.6(9) no . . .
C78 C77 C79 C78 0.1(15) no . 2_575 2_575
C79 C77 C78 C79 -0.1(15) no 2_575 . .
C77 C78 C79 C77 0.1(14) no . . 2_575
C81 C80 C85 C84 5(2) no . . .
C85 C80 C81 C82 -4(2) no . . .
C80 C81 C82 C83 4(3) no . . .
C81 C82 C83 C84 -5(3) no . . .
C82 C83 C84 C85 6(3) no . . .
C83 C84 C85 C80 -6(2) no . . .
