#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:56:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180364 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/33/7203356.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_7203356
loop_
_publ_author_name
'Davies, Hywel O.'
'Jones, Anthony C.'
'McKinnell, Elizabeth A.'
'Raftery, James'
'Muryn, Christopher A.'
'Afzaal, Mohammad'
'O'Brien, Paul'
_publ_section_title
;
 Tantalum(v) diethylamide, [Ta(NEt2)5]: a potentially important and
 crystalline precursor for the CVD of oxides containing tantalum
;
_journal_issue                   23
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2226
_journal_paper_doi               10.1039/b602986h
_journal_volume                  16
_journal_year                    2006
_chemical_formula_sum            'C20 H50 N5 Ta'
_chemical_formula_weight         541.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_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                115.971(3)
_cell_angle_beta                 96.663(3)
_cell_angle_gamma                110.403(2)
_cell_formula_units_Z            1
_cell_length_a                   9.1800(16)
_cell_length_b                   9.2312(16)
_cell_length_c                   9.2851(17)
_cell_measurement_reflns_used    input
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.4465
_cell_measurement_theta_min      2.4595
_cell_volume                     628.39(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5374
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    4.386
_exptl_absorpt_correction_T_max  0.3090
_exptl_absorpt_correction_T_min  0.2729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             283
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.128
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.479(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         4864
_refine_ls_number_restraints     1147
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0349
_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)+(0.0130P)²+16.8559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                4549
_reflns_number_total             4864
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b602986h.txt
_cod_data_source_block           s2202xa
_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_original_sg_symbol_H-M      P1
_cod_database_code               7203356
loop_
_symmetry_equiv_pos_as_xyz
'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
Ta1 Ta 0.11480(7) 0.45765(8) 0.82103(5) 0.0146(4) Uani 0.463(6) 1 d PD A 1
N1 N -0.0397(18) 0.535(2) 0.7207(18) 0.0174(14) Uani 0.463(6) 1 d PDU A 1
C1 C -0.174(2) 0.534(2) 0.777(2) 0.0177(14) Uani 0.463(6) 1 d PDU A 1
H1A H -0.1974 0.4562 0.8258 0.021 Uiso 0.463(6) 1 calc PR A 1
H1B H -0.2710 0.4803 0.6778 0.021 Uiso 0.463(6) 1 calc PR A 1
C2 C -0.153(2) 0.723(2) 0.910(2) 0.0177(19) Uani 0.463(6) 1 d PDU A 1
H2A H -0.1308 0.7369 1.0226 0.027 Uiso 0.463(6) 1 calc PR A 1
H2B H -0.2535 0.7338 0.8826 0.027 Uiso 0.463(6) 1 calc PR A 1
H2C H -0.0608 0.8170 0.9096 0.027 Uiso 0.463(6) 1 calc PR A 1
C3 C -0.0343(17) 0.607(3) 0.596(2) 0.0177(14) Uani 0.463(6) 1 d PDU A 1
H3A H 0.0127 0.7397 0.6601 0.021 Uiso 0.463(6) 1 calc PR A 1
H3B H 0.0366 0.5726 0.5282 0.021 Uiso 0.463(6) 1 calc PR A 1
C4 C -0.2084(19) 0.526(2) 0.477(2) 0.0194(15) Uani 0.463(6) 1 d PDU A 1
H4A H -0.2020 0.5496 0.3842 0.029 Uiso 0.463(6) 1 calc PR A 1
H4B H -0.2711 0.5816 0.5404 0.029 Uiso 0.463(6) 1 calc PR A 1
H4C H -0.2629 0.3958 0.4311 0.029 Uiso 0.463(6) 1 calc PR A 1
N2 N 0.2778(17) 0.364(2) 0.8749(16) 0.0152(12) Uani 0.463(6) 1 d PDU A 1
C5 C 0.4440(16) 0.466(2) 0.9904(15) 0.0161(12) Uani 0.463(6) 1 d PDU A 1
H5A H 0.4785 0.5969 1.0407 0.019 Uiso 0.463(6) 1 calc PR A 1
H5B H 0.5203 0.4351 0.9299 0.019 Uiso 0.463(6) 1 calc PR A 1
C6 C 0.446(2) 0.416(2) 1.1355(17) 0.0173(15) Uani 0.463(6) 1 d PDU A 1
H6A H 0.5555 0.4327 1.1821 0.026 Uiso 0.463(6) 1 calc PR A 1
H6B H 0.3665 0.2896 1.0872 0.026 Uiso 0.463(6) 1 calc PR A 1
H6C H 0.4155 0.4938 1.2256 0.026 Uiso 0.463(6) 1 calc PR A 1
C7 C 0.2542(18) 0.1746(19) 0.7510(17) 0.0157(13) Uani 0.463(6) 1 d PDU A 1
H7A H 0.2244 0.1016 0.8050 0.019 Uiso 0.463(6) 1 calc PR A 1
H7B H 0.1590 0.1203 0.6506 0.019 Uiso 0.463(6) 1 calc PR A 1
C8 C 0.393(2) 0.155(2) 0.691(2) 0.0155(16) Uani 0.463(6) 1 d PDU A 1
H8A H 0.3530 0.0363 0.5893 0.023 Uiso 0.463(6) 1 calc PR A 1
H8B H 0.4752 0.1690 0.7793 0.023 Uiso 0.463(6) 1 calc PR A 1
H8C H 0.4437 0.2487 0.6631 0.023 Uiso 0.463(6) 1 calc PR A 1
N3 N 0.007(2) 0.2422(16) 0.6027(16) 0.0239(14) Uani 0.463(6) 1 d PDU A 1
C9 C -0.053(2) 0.066(2) 0.586(2) 0.0241(14) Uani 0.463(6) 1 d PDU A 1
H9A H -0.0248 0.0814 0.6993 0.029 Uiso 0.463(6) 1 calc PR A 1
H9B H 0.0026 -0.0002 0.5189 0.029 Uiso 0.463(6) 1 calc PR A 1
C10 C -0.2397(19) -0.044(2) 0.499(2) 0.0242(18) Uani 0.463(6) 1 d PDU A 1
H10A H -0.2738 -0.1656 0.4815 0.036 Uiso 0.463(6) 1 calc PR A 1
H10B H -0.2687 -0.0529 0.3898 0.036 Uiso 0.463(6) 1 calc PR A 1
H10C H -0.2954 0.0149 0.5709 0.036 Uiso 0.463(6) 1 calc PR A 1
C11 C 0.005(3) 0.251(3) 0.4482(19) 0.0247(14) Uani 0.463(6) 1 d PDU A 1
H11A H 0.0351 0.3767 0.4768 0.030 Uiso 0.463(6) 1 calc PR A 1
H11B H -0.1082 0.1748 0.3674 0.030 Uiso 0.463(6) 1 calc PR A 1
C12 C 0.124(2) 0.188(2) 0.3621(19) 0.0265(17) Uani 0.463(6) 1 d PDU A 1
H12A H 0.1361 0.2213 0.2759 0.040 Uiso 0.463(6) 1 calc PR A 1
H12B H 0.0790 0.0568 0.3088 0.040 Uiso 0.463(6) 1 calc PR A 1
H12C H 0.2307 0.2458 0.4472 0.040 Uiso 0.463(6) 1 calc PR A 1
N4 N 0.309(2) 0.6918(16) 0.8887(16) 0.0182(16) Uani 0.463(6) 1 d PDU A 1
C13 C 0.453(2) 0.800(2) 1.0358(19) 0.0186(16) Uani 0.463(6) 1 d PDU A 1
H13C H 0.5507 0.8434 1.0028 0.022 Uiso 0.463(6) 1 calc PR A 1
H13D H 0.4666 0.7250 1.0814 0.022 Uiso 0.463(6) 1 calc PR A 1
C14 C 0.442(2) 0.960(2) 1.172(2) 0.019(2) Uani 0.463(6) 1 d PDU A 1
H14A H 0.5361 1.0236 1.2735 0.028 Uiso 0.463(6) 1 calc PR A 1
H14B H 0.3403 0.9177 1.1982 0.028 Uiso 0.463(6) 1 calc PR A 1
H14C H 0.4407 1.0415 1.1313 0.028 Uiso 0.463(6) 1 calc PR A 1
C15 C 0.311(2) 0.765(2) 0.7757(19) 0.0186(16) Uani 0.463(6) 1 d PDU A 1
H15C H 0.3551 0.8977 0.8443 0.022 Uiso 0.463(6) 1 calc PR A 1
H15D H 0.1980 0.7154 0.7031 0.022 Uiso 0.463(6) 1 calc PR A 1
C16 C 0.416(2) 0.718(2) 0.666(2) 0.0208(18) Uani 0.463(6) 1 d PDU A 1
H16A H 0.4280 0.7812 0.6029 0.031 Uiso 0.463(6) 1 calc PR A 1
H16B H 0.3641 0.5877 0.5860 0.031 Uiso 0.463(6) 1 calc PR A 1
H16C H 0.5248 0.7547 0.7371 0.031 Uiso 0.463(6) 1 calc PR A 1
N5 N 0.0193(16) 0.4521(19) 1.0305(14) 0.0157(13) Uani 0.463(6) 1 d PDU A 1
C17 C -0.1561(18) 0.3566(19) 0.9841(17) 0.0159(13) Uani 0.463(6) 1 d PDU A 1
H17A H -0.2057 0.3124 0.8635 0.019 Uiso 0.463(6) 1 calc PR A 1
H17B H -0.1977 0.4409 1.0517 0.019 Uiso 0.463(6) 1 calc PR A 1
C18 C -0.2093(17) 0.1985(19) 1.0117(19) 0.0146(15) Uani 0.463(6) 1 d PDU A 1
H18A H -0.3293 0.1352 0.9739 0.022 Uiso 0.463(6) 1 calc PR A 1
H18B H -0.1663 0.2422 1.1321 0.022 Uiso 0.463(6) 1 calc PR A 1
H18C H -0.1667 0.1156 0.9468 0.022 Uiso 0.463(6) 1 calc PR A 1
C19 C 0.116(2) 0.552(2) 1.2080(16) 0.0168(14) Uani 0.463(6) 1 d PDU A 1
H19A H 0.2341 0.6020 1.2181 0.020 Uiso 0.463(6) 1 calc PR A 1
H19B H 0.0956 0.4683 1.2509 0.020 Uiso 0.463(6) 1 calc PR A 1
C20 C 0.079(2) 0.706(2) 1.3182(17) 0.0168(16) Uani 0.463(6) 1 d PDU A 1
H20A H 0.1513 0.7710 1.4350 0.025 Uiso 0.463(6) 1 calc PR A 1
H20B H -0.0354 0.6574 1.3148 0.025 Uiso 0.463(6) 1 calc PR A 1
H20C H 0.0980 0.7892 1.2757 0.025 Uiso 0.463(6) 1 calc PR A 1
Ta1A Ta 0.12561(6) 0.44033(7) 0.75369(4) 0.0193(4) Uani 0.537(6) 1 d PD A 2
N1A N -0.0304(14) 0.5252(18) 0.6672(14) 0.0172(14) Uani 0.537(6) 1 d PDU A 2
C1A C -0.1613(18) 0.523(2) 0.7422(18) 0.0174(14) Uani 0.537(6) 1 d PDU A 2
H1A1 H -0.1619 0.4619 0.8069 0.021 Uiso 0.537(6) 1 calc PR A 2
H1A2 H -0.2675 0.4516 0.6502 0.021 Uiso 0.537(6) 1 calc PR A 2
C2A C -0.148(2) 0.707(2) 0.8579(19) 0.0192(17) Uani 0.537(6) 1 d PDU A 2
H2A1 H -0.2410 0.6934 0.9020 0.029 Uiso 0.537(6) 1 calc PR A 2
H2A2 H -0.1497 0.7683 0.7948 0.029 Uiso 0.537(6) 1 calc PR A 2
H2A3 H -0.0453 0.7778 0.9521 0.029 Uiso 0.537(6) 1 calc PR A 2
C3A C -0.0179(15) 0.617(2) 0.5678(17) 0.0174(14) Uani 0.537(6) 1 d PDU A 2
H3A1 H 0.0762 0.6195 0.5249 0.021 Uiso 0.537(6) 1 calc PR A 2
H3A2 H 0.0042 0.7438 0.6436 0.021 Uiso 0.537(6) 1 calc PR A 2
C4A C -0.1708(14) 0.5274(17) 0.4206(15) 0.0163(14) Uani 0.537(6) 1 d PDU A 2
H4A1 H -0.1476 0.5752 0.3458 0.024 Uiso 0.537(6) 1 calc PR A 2
H4A2 H -0.2579 0.5513 0.4627 0.024 Uiso 0.537(6) 1 calc PR A 2
H4A3 H -0.2063 0.3972 0.3578 0.024 Uiso 0.537(6) 1 calc PR A 2
N2A N 0.2903(13) 0.3503(14) 0.8113(12) 0.0152(12) Uani 0.537(6) 1 d PDU A 2
C5A C 0.4499(14) 0.4606(17) 0.9417(13) 0.0153(12) Uani 0.537(6) 1 d PDU A 2
H5A1 H 0.4646 0.5861 1.0035 0.018 Uiso 0.537(6) 1 calc PR A 2
H5A2 H 0.5350 0.4604 0.8852 0.018 Uiso 0.537(6) 1 calc PR A 2
C6A C 0.4817(15) 0.4069(17) 1.0700(14) 0.0153(14) Uani 0.537(6) 1 d PDU A 2
H6A1 H 0.5907 0.4936 1.1534 0.023 Uiso 0.537(6) 1 calc PR A 2
H6A2 H 0.4765 0.2864 1.0125 0.023 Uiso 0.537(6) 1 calc PR A 2
H6A3 H 0.3985 0.4058 1.1274 0.023 Uiso 0.537(6) 1 calc PR A 2
C7A C 0.2599(15) 0.1608(16) 0.7024(14) 0.0154(13) Uani 0.537(6) 1 d PDU A 2
H7A1 H 0.1535 0.0962 0.6119 0.018 Uiso 0.537(6) 1 calc PR A 2
H7A2 H 0.2493 0.1033 0.7715 0.018 Uiso 0.537(6) 1 calc PR A 2
C8A C 0.3889(17) 0.1348(18) 0.6206(17) 0.0171(16) Uani 0.537(6) 1 d PDU A 2
H8A1 H 0.3516 0.0061 0.5421 0.026 Uiso 0.537(6) 1 calc PR A 2
H8A2 H 0.4915 0.1825 0.7080 0.026 Uiso 0.537(6) 1 calc PR A 2
H8A3 H 0.4072 0.1989 0.5587 0.026 Uiso 0.537(6) 1 calc PR A 2
N3A N 0.009(2) 0.2237(14) 0.5657(14) 0.0244(14) Uani 0.537(6) 1 d PDU A 2
C9A C -0.052(2) 0.050(2) 0.5506(17) 0.0243(14) Uani 0.537(6) 1 d PDU A 2
H9A1 H -0.0556 0.0621 0.6613 0.029 Uiso 0.537(6) 1 calc PR A 2
H9A2 H 0.0193 -0.0075 0.5106 0.029 Uiso 0.537(6) 1 calc PR A 2
C10A C -0.222(2) -0.060(2) 0.4247(19) 0.0251(18) Uani 0.537(6) 1 d PDU A 2
H10D H -0.2584 -0.1868 0.3891 0.038 Uiso 0.537(6) 1 calc PR A 2
H10E H -0.2206 -0.0457 0.3261 0.038 Uiso 0.537(6) 1 calc PR A 2
H10F H -0.2972 -0.0180 0.4769 0.038 Uiso 0.537(6) 1 calc PR A 2
C11A C 0.004(2) 0.231(2) 0.4108(16) 0.0251(15) Uani 0.537(6) 1 d PDU A 2
H11C H 0.0488 0.3587 0.4415 0.030 Uiso 0.537(6) 1 calc PR A 2
H11D H -0.1121 0.1698 0.3393 0.030 Uiso 0.537(6) 1 calc PR A 2
C12A C 0.098(2) 0.145(2) 0.3078(16) 0.0282(18) Uani 0.537(6) 1 d PDU A 2
H12D H 0.0628 0.1227 0.1931 0.042 Uiso 0.537(6) 1 calc PR A 2
H12E H 0.0764 0.0313 0.3028 0.042 Uiso 0.537(6) 1 calc PR A 2
H12F H 0.2156 0.2269 0.3609 0.042 Uiso 0.537(6) 1 calc PR A 2
N4A N 0.3070(18) 0.6758(13) 0.8490(13) 0.0184(15) Uani 0.537(6) 1 d PDU A 2
C13A C 0.454(2) 0.7777(18) 0.9956(16) 0.0187(16) Uani 0.537(6) 1 d PDU A 2
H13A H 0.5518 0.7930 0.9584 0.022 Uiso 0.537(6) 1 calc PR A 2
H13B H 0.4492 0.7108 1.0554 0.022 Uiso 0.537(6) 1 calc PR A 2
C14A C 0.466(2) 0.959(2) 1.1135(17) 0.0206(19) Uani 0.537(6) 1 d PDU A 2
H14D H 0.5591 1.0221 1.2162 0.031 Uiso 0.537(6) 1 calc PR A 2
H14E H 0.3646 0.9440 1.1433 0.031 Uiso 0.537(6) 1 calc PR A 2
H14F H 0.4813 1.0299 1.0579 0.031 Uiso 0.537(6) 1 calc PR A 2
C15A C 0.3185(19) 0.7446(19) 0.7321(15) 0.0190(16) Uani 0.537(6) 1 d PDU A 2
H15A H 0.3720 0.8778 0.8013 0.023 Uiso 0.537(6) 1 calc PR A 2
H15B H 0.2054 0.7067 0.6674 0.023 Uiso 0.537(6) 1 calc PR A 2
C16A C 0.4112(18) 0.689(2) 0.6021(17) 0.0221(19) Uani 0.537(6) 1 d PDU A 2
H16D H 0.3478 0.6569 0.4914 0.033 Uiso 0.537(6) 1 calc PR A 2
H16E H 0.4247 0.5844 0.5929 0.033 Uiso 0.537(6) 1 calc PR A 2
H16F H 0.5193 0.7893 0.6406 0.033 Uiso 0.537(6) 1 calc PR A 2
N5A N 0.0296(13) 0.4517(16) 0.9826(12) 0.0157(13) Uani 0.537(6) 1 d PDU A 2
C17A C -0.1487(15) 0.3437(16) 0.9386(14) 0.0162(13) Uani 0.537(6) 1 d PDU A 2
H17C H -0.2025 0.3113 0.8229 0.019 Uiso 0.537(6) 1 calc PR A 2
H17D H -0.1902 0.4213 1.0161 0.019 Uiso 0.537(6) 1 calc PR A 2
C18A C -0.2028(17) 0.1727(18) 0.9448(19) 0.0173(15) Uani 0.537(6) 1 d PDU A 2
H18D H -0.2966 0.0753 0.8442 0.026 Uiso 0.537(6) 1 calc PR A 2
H18E H -0.2346 0.1919 1.0464 0.026 Uiso 0.537(6) 1 calc PR A 2
H18F H -0.1122 0.1400 0.9478 0.026 Uiso 0.537(6) 1 calc PR A 2
C19A C 0.1095(19) 0.550(2) 1.1682(13) 0.0166(13) Uani 0.537(6) 1 d PDU A 2
H19C H 0.2299 0.6002 1.1935 0.020 Uiso 0.537(6) 1 calc PR A 2
H19D H 0.0755 0.4649 1.2092 0.020 Uiso 0.537(6) 1 calc PR A 2
C20A C 0.0650(18) 0.7026(18) 1.2615(16) 0.0196(16) Uani 0.537(6) 1 d PDU A 2
H20D H 0.1427 0.7852 1.3764 0.029 Uiso 0.537(6) 1 calc PR A 2
H20E H -0.0462 0.6527 1.2668 0.029 Uiso 0.537(6) 1 calc PR A 2
H20F H 0.0698 0.7680 1.2015 0.029 Uiso 0.537(6) 1 calc PR A 2
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'
N N 0.0061 0.0033 '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
N3 Ta1 N4 128.1(6) . . ?
N3 Ta1 N2 89.3(9) . . ?
N4 Ta1 N2 89.1(8) . . ?
N3 Ta1 N1 82.7(9) . . ?
N4 Ta1 N1 89.4(8) . . ?
N2 Ta1 N1 168.5(6) . . ?
N3 Ta1 N5 116.8(6) . . ?
N4 Ta1 N5 115.1(5) . . ?
N2 Ta1 N5 90.8(5) . . ?
N1 Ta1 N5 100.1(5) . . ?
C1 N1 C3 109.0(11) . . ?
C1 N1 Ta1 117.6(10) . . ?
C3 N1 Ta1 133.3(8) . . ?
N1 C1 C2 114.9(13) . . ?
N1 C1 H1A 108.5 . . ?
C2 C1 H1A 108.5 . . ?
N1 C1 H1B 108.5 . . ?
C2 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C4 C3 N1 109.9(11) . . ?
C4 C3 H3A 109.7 . . ?
N1 C3 H3A 109.7 . . ?
C4 C3 H3B 109.7 . . ?
N1 C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
C5 N2 C7 108.1(10) . . ?
C5 N2 Ta1 128.8(10) . . ?
C7 N2 Ta1 120.5(9) . . ?
N2 C5 C6 107.2(11) . . ?
N2 C5 H5A 110.3 . . ?
C6 C5 H5A 110.3 . . ?
N2 C5 H5B 110.3 . . ?
C6 C5 H5B 110.3 . . ?
H5A C5 H5B 108.5 . . ?
C8 C7 N2 118.3(11) . . ?
C8 C7 H7A 107.7 . . ?
N2 C7 H7A 107.7 . . ?
C8 C7 H7B 107.7 . . ?
N2 C7 H7B 107.7 . . ?
H7A C7 H7B 107.1 . . ?
C9 N3 C11 118.0(10) . . ?
C9 N3 Ta1 120.9(10) . . ?
C11 N3 Ta1 120.6(9) . . ?
N3 C9 C10 112.1(12) . . ?
N3 C9 H9A 109.2 . . ?
C10 C9 H9A 109.2 . . ?
N3 C9 H9B 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N3 C11 C12 112.7(12) . . ?
N3 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N3 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C13 N4 C15 113.1(10) . . ?
C13 N4 Ta1 128.3(10) . . ?
C15 N4 Ta1 118.6(9) . . ?
N4 C13 C14 111.5(11) . . ?
N4 C13 H13C 109.3 . . ?
C14 C13 H13C 109.3 . . ?
N4 C13 H13D 109.3 . . ?
C14 C13 H13D 109.3 . . ?
H13C C13 H13D 108.0 . . ?
N4 C15 C16 111.0(11) . . ?
N4 C15 H15C 109.4 . . ?
C16 C15 H15C 109.4 . . ?
N4 C15 H15D 109.4 . . ?
C16 C15 H15D 109.4 . . ?
H15C C15 H15D 108.0 . . ?
C17 N5 C19 118.7(10) . . ?
C17 N5 Ta1 115.4(7) . . ?
C19 N5 Ta1 125.5(8) . . ?
N5 C17 C18 112.7(11) . . ?
N5 C17 H17A 109.1 . . ?
C18 C17 H17A 109.1 . . ?
N5 C17 H17B 109.1 . . ?
C18 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
N5 C19 C20 113.5(11) . . ?
N5 C19 H19A 108.9 . . ?
C20 C19 H19A 108.9 . . ?
N5 C19 H19B 108.9 . . ?
C20 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
N3A Ta1A N4A 144.6(6) . . ?
N3A Ta1A N2A 89.2(8) . . ?
N4A Ta1A N2A 88.9(7) . . ?
N3A Ta1A N1A 87.4(8) . . ?
N4A Ta1A N1A 90.0(7) . . ?
N2A Ta1A N1A 172.4(4) . . ?
N3A Ta1A N5A 111.0(5) . . ?
N4A Ta1A N5A 104.4(5) . . ?
N2A Ta1A N5A 91.9(4) . . ?
N1A Ta1A N5A 95.7(4) . . ?
C1A N1A C3A 112.8(9) . . ?
C1A N1A Ta1A 113.7(8) . . ?
C3A N1A Ta1A 132.4(7) . . ?
N1A C1A C2A 114.7(10) . . ?
N1A C1A H1A1 108.6 . . ?
C2A C1A H1A1 108.6 . . ?
N1A C1A H1A2 108.6 . . ?
C2A C1A H1A2 108.6 . . ?
H1A1 C1A H1A2 107.6 . . ?
C1A C2A H2A1 109.5 . . ?
C1A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 109.5 . . ?
C1A C2A H2A3 109.5 . . ?
H2A1 C2A H2A3 109.5 . . ?
H2A2 C2A H2A3 109.5 . . ?
N1A C3A C4A 113.1(10) . . ?
N1A C3A H3A1 109.0 . . ?
C4A C3A H3A1 109.0 . . ?
N1A C3A H3A2 109.0 . . ?
C4A C3A H3A2 109.0 . . ?
H3A1 C3A H3A2 107.8 . . ?
C3A C4A H4A1 109.5 . . ?
C3A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C5A N2A C7A 112.7(9) . . ?
C5A N2A Ta1A 126.5(7) . . ?
C7A N2A Ta1A 120.5(7) . . ?
N2A C5A C6A 117.1(10) . . ?
N2A C5A H5A1 108.0 . . ?
C6A C5A H5A1 108.0 . . ?
N2A C5A H5A2 108.0 . . ?
C6A C5A H5A2 108.0 . . ?
H5A1 C5A H5A2 107.3 . . ?
C5A C6A H6A1 109.5 . . ?
C5A C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
C5A C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
N2A C7A C8A 116.0(9) . . ?
N2A C7A H7A1 108.3 . . ?
C8A C7A H7A1 108.3 . . ?
N2A C7A H7A2 108.3 . . ?
C8A C7A H7A2 108.3 . . ?
H7A1 C7A H7A2 107.4 . . ?
C7A C8A H8A1 109.5 . . ?
C7A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C7A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
C9A N3A C11A 118.1(8) . . ?
C9A N3A Ta1A 127.9(9) . . ?
C11A N3A Ta1A 112.9(8) . . ?
N3A C9A C10A 106.4(12) . . ?
N3A C9A H9A1 110.5 . . ?
C10A C9A H9A1 110.5 . . ?
N3A C9A H9A2 110.5 . . ?
C10A C9A H9A2 110.5 . . ?
H9A1 C9A H9A2 108.6 . . ?
C9A C10A H10D 109.5 . . ?
C9A C10A H10E 109.5 . . ?
H10D C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
N3A C11A C12A 114.6(11) . . ?
N3A C11A H11C 108.6 . . ?
C12A C11A H11C 108.6 . . ?
N3A C11A H11D 108.6 . . ?
C12A C11A H11D 108.6 . . ?
H11C C11A H11D 107.6 . . ?
C11A C12A H12D 109.5 . . ?
C11A C12A H12E 109.5 . . ?
H12D C12A H12E 109.5 . . ?
C11A C12A H12F 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C13A N4A C15A 113.3(9) . . ?
C13A N4A Ta1A 131.5(9) . . ?
C15A N4A Ta1A 113.4(7) . . ?
N4A C13A C14A 110.3(10) . . ?
N4A C13A H13A 109.6 . . ?
C14A C13A H13A 109.6 . . ?
N4A C13A H13B 109.6 . . ?
C14A C13A H13B 109.6 . . ?
H13A C13A H13B 108.1 . . ?
C13A C14A H14D 109.5 . . ?
C13A C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C13A C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
N4A C15A C16A 118.8(11) . . ?
N4A C15A H15A 107.6 . . ?
C16A C15A H15A 107.6 . . ?
N4A C15A H15B 107.6 . . ?
C16A C15A H15B 107.6 . . ?
H15A C15A H15B 107.0 . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C17A N5A C19A 110.2(8) . . ?
C17A N5A Ta1A 115.9(6) . . ?
C19A N5A Ta1A 133.8(7) . . ?
N5A C17A C18A 117.2(10) . . ?
N5A C17A H17C 108.0 . . ?
C18A C17A H17C 108.0 . . ?
N5A C17A H17D 108.0 . . ?
C18A C17A H17D 108.0 . . ?
H17C C17A H17D 107.3 . . ?
C17A C18A H18D 109.5 . . ?
C17A C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
C17A C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
N5A C19A C20A 112.0(10) . . ?
N5A C19A H19C 109.2 . . ?
C20A C19A H19C 109.2 . . ?
N5A C19A H19D 109.2 . . ?
C20A C19A H19D 109.2 . . ?
H19C C19A H19D 107.9 . . ?
C19A C20A H20D 109.5 . . ?
C19A C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
C19A C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 N3 1.917(9) . ?
Ta1 N4 2.026(10) . ?
Ta1 N2 2.086(11) . ?
Ta1 N1 2.093(10) . ?
Ta1 N5 2.238(9) . ?
N1 C1 1.393(12) . ?
N1 C3 1.563(13) . ?
C1 C2 1.556(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.538(14) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
N2 C5 1.448(13) . ?
N2 C7 1.530(13) . ?
C5 C6 1.607(13) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.489(14) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
N3 C9 1.447(12) . ?
N3 C11 1.470(12) . ?
C9 C10 1.540(15) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.553(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
N4 C13 1.443(12) . ?
N4 C15 1.474(12) . ?
C13 C14 1.512(14) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.515(13) . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
N5 C17 1.439(12) . ?
N5 C19 1.454(11) . ?
C17 C18 1.515(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.526(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
Ta1A N3A 1.791(7) . ?
Ta1A N4A 1.932(8) . ?
Ta1A N2A 2.083(9) . ?
Ta1A N1A 2.093(9) . ?
Ta1A N5A 2.368(8) . ?
N1A C1A 1.455(11) . ?
N1A C3A 1.495(11) . ?
C1A C2A 1.506(13) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A H2A1 0.9800 . ?
C2A H2A2 0.9800 . ?
C2A H2A3 0.9800 . ?
C3A C4A 1.509(13) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
N2A C5A 1.455(11) . ?
N2A C7A 1.485(12) . ?
C5A C6A 1.513(12) . ?
C5A H5A1 0.9900 . ?
C5A H5A2 0.9900 . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C7A C8A 1.511(12) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
N3A C9A 1.434(12) . ?
N3A C11A 1.465(11) . ?
C9A C10A 1.503(15) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A C12A 1.513(13) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
N4A C13A 1.455(11) . ?
N4A C15A 1.474(11) . ?
C13A C14A 1.500(14) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A C16A 1.565(13) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
N5A C17A 1.480(11) . ?
N5A C19A 1.485(10) . ?
C17A C18A 1.510(13) . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A C20A 1.520(12) . ?
C19A H19C 0.9900 . ?
C19A H19D 0.9900 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Ta1 N1 C1 105.3(13) . . . . ?
N4 Ta1 N1 C1 -126.1(13) . . . . ?
N2 Ta1 N1 C1 151(3) . . . . ?
N5 Ta1 N1 C1 -10.7(13) . . . . ?
N3 Ta1 N1 C3 -78.1(16) . . . . ?
N4 Ta1 N1 C3 50.5(16) . . . . ?
N2 Ta1 N1 C3 -32(5) . . . . ?
N5 Ta1 N1 C3 165.9(15) . . . . ?
C3 N1 C1 C2 -75.5(18) . . . . ?
Ta1 N1 C1 C2 101.8(16) . . . . ?
C1 N1 C3 C4 -41.5(19) . . . . ?
Ta1 N1 C3 C4 141.7(14) . . . . ?
N3 Ta1 N2 C5 153.9(13) . . . . ?
N4 Ta1 N2 C5 25.8(12) . . . . ?
N1 Ta1 N2 C5 108(4) . . . . ?
N5 Ta1 N2 C5 -89.3(12) . . . . ?
N3 Ta1 N2 C7 -5.4(12) . . . . ?
N4 Ta1 N2 C7 -133.5(12) . . . . ?
N1 Ta1 N2 C7 -51(5) . . . . ?
N5 Ta1 N2 C7 111.4(11) . . . . ?
C7 N2 C5 C6 -82.5(14) . . . . ?
Ta1 N2 C5 C6 116.3(13) . . . . ?
C5 N2 C7 C8 -37.8(18) . . . . ?
Ta1 N2 C7 C8 125.4(13) . . . . ?
N4 Ta1 N3 C9 142.4(14) . . . . ?
N2 Ta1 N3 C9 54.0(14) . . . . ?
N1 Ta1 N3 C9 -134.2(14) . . . . ?
N5 Ta1 N3 C9 -36.6(17) . . . . ?
N4 Ta1 N3 C11 -29(2) . . . . ?
N2 Ta1 N3 C11 -117.1(14) . . . . ?
N1 Ta1 N3 C11 54.7(14) . . . . ?
N5 Ta1 N3 C11 152.3(11) . . . . ?
C11 N3 C9 C10 -69.5(19) . . . . ?
Ta1 N3 C9 C10 119.2(15) . . . . ?
C9 N3 C11 C12 -66.0(19) . . . . ?
Ta1 N3 C11 C12 105.4(15) . . . . ?
N3 Ta1 N4 C13 -134.6(13) . . . . ?
N2 Ta1 N4 C13 -46.1(13) . . . . ?
N1 Ta1 N4 C13 145.2(13) . . . . ?
N5 Ta1 N4 C13 44.4(15) . . . . ?
N3 Ta1 N4 C15 43.6(18) . . . . ?
N2 Ta1 N4 C15 132.1(11) . . . . ?
N1 Ta1 N4 C15 -36.6(11) . . . . ?
N5 Ta1 N4 C15 -137.4(10) . . . . ?
C15 N4 C13 C14 81.2(16) . . . . ?
Ta1 N4 C13 C14 -100.5(19) . . . . ?
C13 N4 C15 C16 79.8(14) . . . . ?
Ta1 N4 C15 C16 -98.7(15) . . . . ?
N3 Ta1 N5 C17 -38.3(13) . . . . ?
N4 Ta1 N5 C17 142.5(11) . . . . ?
N2 Ta1 N5 C17 -128.0(10) . . . . ?
N1 Ta1 N5 C17 48.5(11) . . . . ?
N3 Ta1 N5 C19 149.1(13) . . . . ?
N4 Ta1 N5 C19 -30.0(14) . . . . ?
N2 Ta1 N5 C19 59.4(11) . . . . ?
N1 Ta1 N5 C19 -124.1(11) . . . . ?
C19 N5 C17 C18 -67.9(15) . . . . ?
Ta1 N5 C17 C18 119.1(11) . . . . ?
C17 N5 C19 C20 -62.9(16) . . . . ?
Ta1 N5 C19 C20 109.4(13) . . . . ?
N3A Ta1A N1A C1A 98.3(10) . . . . ?
N4A Ta1A N1A C1A -117.0(9) . . . . ?
N2A Ta1A N1A C1A 161(3) . . . . ?
N5A Ta1A N1A C1A -12.6(9) . . . . ?
N3A Ta1A N1A C3A -94.3(13) . . . . ?
N4A Ta1A N1A C3A 50.4(12) . . . . ?
N2A Ta1A N1A C3A -31(4) . . . . ?
N5A Ta1A N1A C3A 154.8(12) . . . . ?
C3A N1A C1A C2A -57.7(16) . . . . ?
Ta1A N1A C1A C2A 112.2(12) . . . . ?
C1A N1A C3A C4A -61.4(15) . . . . ?
Ta1A N1A C3A C4A 131.1(11) . . . . ?
N3A Ta1A N2A C5A 168.8(10) . . . . ?
N4A Ta1A N2A C5A 24.2(10) . . . . ?
N1A Ta1A N2A C5A 106(4) . . . . ?
N5A Ta1A N2A C5A -80.2(10) . . . . ?
N3A Ta1A N2A C7A -3.4(9) . . . . ?
N4A Ta1A N2A C7A -148.0(9) . . . . ?
N1A Ta1A N2A C7A -66(4) . . . . ?
N5A Ta1A N2A C7A 107.6(9) . . . . ?
C7A N2A C5A C6A -61.9(14) . . . . ?
Ta1A N2A C5A C6A 125.4(10) . . . . ?
C5A N2A C7A C8A -53.9(14) . . . . ?
Ta1A N2A C7A C8A 119.3(10) . . . . ?
N4A Ta1A N3A C9A 139.0(15) . . . . ?
N2A Ta1A N3A C9A 52.0(14) . . . . ?
N1A Ta1A N3A C9A -134.8(14) . . . . ?
N5A Ta1A N3A C9A -39.7(16) . . . . ?
N4A Ta1A N3A C11A -29(2) . . . . ?
N2A Ta1A N3A C11A -116.2(11) . . . . ?
N1A Ta1A N3A C11A 57.0(11) . . . . ?
N5A Ta1A N3A C11A 152.1(9) . . . . ?
C11A N3A C9A C10A -52.8(18) . . . . ?
Ta1A N3A C9A C10A 139.5(15) . . . . ?
C9A N3A C11A C12A -58.8(18) . . . . ?
Ta1A N3A C11A C12A 110.7(13) . . . . ?
N3A Ta1A N4A C13A -125.1(15) . . . . ?
N2A Ta1A N4A C13A -38.1(11) . . . . ?
N1A Ta1A N4A C13A 149.5(12) . . . . ?
N5A Ta1A N4A C13A 53.6(13) . . . . ?
N3A Ta1A N4A C15A 38(2) . . . . ?
N2A Ta1A N4A C15A 125.5(9) . . . . ?
N1A Ta1A N4A C15A -47.0(9) . . . . ?
N5A Ta1A N4A C15A -142.8(8) . . . . ?
C15A N4A C13A C14A 71.7(14) . . . . ?
Ta1A N4A C13A C14A -124.7(15) . . . . ?
C13A N4A C15A C16A 81.4(13) . . . . ?
Ta1A N4A C15A C16A -85.2(13) . . . . ?
N3A Ta1A N5A C17A -33.2(11) . . . . ?
N4A Ta1A N5A C17A 147.6(9) . . . . ?
N2A Ta1A N5A C17A -123.0(8) . . . . ?
N1A Ta1A N5A C17A 56.2(9) . . . . ?
N3A Ta1A N5A C19A 149.0(12) . . . . ?
N4A Ta1A N5A C19A -30.3(12) . . . . ?
N2A Ta1A N5A C19A 59.1(11) . . . . ?
N1A Ta1A N5A C19A -121.7(11) . . . . ?
C19A N5A C17A C18A -75.2(13) . . . . ?
Ta1A N5A C17A C18A 106.4(11) . . . . ?
C17A N5A C19A C20A -71.0(13) . . . . ?
Ta1A N5A C19A C20A 107.0(12) . . . . ?
