data_global
_audit_creation_method                  'APEX3 v2019.11-0'

_publ_requested_journal                 ?

_publ_contact_author_name               ?
_publ_contact_author_address            
;
;
_publ_contact_author_email              ?
_publ_contact_author_fax                ?
_publ_contact_author_phone              ?

_publ_section_title                     
;
;
_publ_section_abstract                  
;
;
_publ_section_references                
;
;
_publ_section_comment                   
;
;

data_20210615LT
_chemical_name_systematic               ?
_chemical_name_common                   Ta(NtBu)(mdpa)3
_chemical_formula_moiety                ?
_chemical_formula_sum                   'C42 H84 N6 O14 Ta2'
_chemical_formula_iupac                 ?
_chemical_formula_weight                1259.05

_chemical_melting_point                 ?

_space_group_crystal_system             monoclinic
_space_group_IT_number                  15
_space_group_name_H-M_alt               'C 1 2/c 1'
_space_group_name_Hall                  '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'

_cell_length_a                          24.0890(12)
_cell_length_b                          13.5356(7)
_cell_length_c                          18.7495(9)
_cell_angle_alpha                       90
_cell_angle_beta                        105.603(2)
_cell_angle_gamma                       90
_cell_volume                            5888.2(5)
_cell_formula_units_Z                   4
_cell_measurement_reflns_used           9799
_cell_measurement_theta_min             2.4577
_cell_measurement_theta_max             28.1963
_cell_measurement_temperature           100.0(10)

_exptl_crystal_description              block
_exptl_crystal_colour                   silver
_exptl_crystal_size_max                 0.160
_exptl_crystal_size_mid                 0.120
_exptl_crystal_size_min                 0.080
_exptl_crystal_density_diffrn           1.420
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    2544

_exptl_absorpt_coefficient_mu           3.771
_exptl_absorpt_correction_type          Multi-Scan
_exptl_absorpt_process_details          
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min         0.63
_exptl_absorpt_correction_T_max         0.75

_exptl_special_details                  
;
; 

_diffrn_ambient_temperature             100.0(10)

_diffrn_source                          ?
_diffrn_source_type                     ?
_diffrn_source_power                    ?
_diffrn_source_current                  ?
_diffrn_source_voltage                  ?

_diffrn_radiation_probe                 ?
_diffrn_radiation_type                  MoKa
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_monochromator         'Graphite crystal'

_diffrn_measurement_device              ?
_diffrn_measurement_device_type         'Bruker APEX-II CCD'
_diffrn_measurement_method              'f and w scans'

_diffrn_detector_area_resol_mean        8.3333

_diffrn_reflns_number                   45001
_diffrn_reflns_av_R_equivalents         0.0322
_diffrn_reflns_av_unetI/netI            0.0193
_diffrn_reflns_theta_min                1.94
_diffrn_reflns_theta_max                26.00
_diffrn_reflns_theta_full               25.24
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full    0.991
_diffrn_reflns_limit_h_min              -29
_diffrn_reflns_limit_h_max              29
_diffrn_reflns_limit_k_min              -16
_diffrn_reflns_limit_k_max              16
_diffrn_reflns_limit_l_min              -23
_diffrn_reflns_limit_l_max              23

_refine_special_details                 
;

Refined as a 2-component inversion twin.
;

_reflns_number_total                    5737
_reflns_number_gt                       5278
_reflns_threshold_expression            'I > 2σ(I)'
_reflns_Friedel_coverage                0.000
_reflns_Friedel_fraction_max            .
_reflns_Friedel_fraction_full           .

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0252
_refine_ls_R_factor_gt                  0.0228
_refine_ls_wR_factor_gt                 0.0564
_refine_ls_wR_factor_ref                0.0572
_refine_ls_goodness_of_fit_ref          1.093
_refine_ls_restrained_S_all             1.093
_refine_ls_number_reflns                5737
_refine_ls_number_parameters            302
_refine_ls_number_restraints            1
_refine_ls_number_constraints           ?
_refine_ls_hydrogen_treatment           refxyz
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details            
    'w=1/[σ²(Fo²)+(0.0318P)²+9.5937P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          geom
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?

_refine_ls_shift/su_max                 0.004
_refine_ls_shift/su_mean                0.000
_refine_diff_density_max                2.114
_refine_diff_density_min                -0.593
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              ?

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'
    O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Ta Ta -0.7052 6.5227
     'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection              'Bruker APEX II'
_computing_cell_refinement              'Bruker SAINT'
_computing_data_reduction               'Bruker SAINT'
_computing_structure_solution           'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement         'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics           'Bruker SHELXTL'
_computing_publication_material         'Bruker SHELXTL'

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_refinement_flags_posn
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ta Ta1 0.77666(2) 0.65706(2) 0.54099(2) 0.01500(5) Uani d U . . 1 . .
    O O1 0.71846(8) 0.55456(14) 0.48752(11) 0.0205(4) Uani d . . . 1 . .
    O O2 0.70900(9) 0.62198(15) 0.60165(11) 0.0237(4) Uani d . . . 1 . .
    O O3 0.81178(8) 0.53496(15) 0.59865(10) 0.0227(4) Uani d U . . 1 . .
    O O4 0.81848(9) 0.69067(15) 0.66537(11) 0.0222(4) Uani d . . . 1 . .
    O O5 0.85700(8) 0.70272(15) 0.54910(11) 0.0231(4) Uani d . . . 1 . .
    O O6 0.82309(9) 0.56414(15) 0.46500(11) 0.0244(4) Uani d . . . 1 . .
    O O7 0.75183(8) 0.71778(14) 0.44079(10) 0.0176(4) Uani d . . . 1 . .
    N N1 0.67268(10) 0.53553(18) 0.57849(13) 0.0228(5) Uani d . . . 1 . .
    N N2 0.85596(10) 0.61380(18) 0.70761(13) 0.0222(5) Uani d . . . 1 . .
    N N3 0.88121(11) 0.59388(19) 0.46831(15) 0.0266(6) Uani d . . . 1 . .
    C C1 0.68249(12) 0.5083(2) 0.51754(16) 0.0206(6) Uani d . . . 1 . .
    C C2 0.65165(13) 0.4191(2) 0.47671(17) 0.0251(6) Uani d . . . 1 . .
    C C3 0.62824(15) 0.4436(3) 0.39431(18) 0.0333(8) Uani d . . . 1 . .
    H H3A 0.660255 0.461698 0.373881 0.05 Uiso calc U . R 1 . .
    H H3B 0.601199 0.499022 0.388385 0.05 Uiso calc U . R 1 . .
    H H3C 0.60828 0.385772 0.367936 0.05 Uiso calc U . R 1 . .
    C C4 0.60238(17) 0.3870(3) 0.5086(2) 0.0425(9) Uani d . . . 1 . .
    H H4A 0.575163 0.441771 0.504959 0.064 Uiso calc U . R 1 . .
    H H4B 0.617938 0.368325 0.560632 0.064 Uiso calc U . R 1 . .
    H H4C 0.58243 0.330272 0.480539 0.064 Uiso calc U . R 1 . .
    C C5 0.69644(17) 0.3357(2) 0.4863(2) 0.0388(9) Uani d . . . 1 . .
    H H5A 0.678552 0.2775 0.458278 0.058 Uiso calc U . R 1 . .
    H H5B 0.710525 0.318574 0.538901 0.058 Uiso calc U . R 1 . .
    H H5C 0.72879 0.357809 0.467933 0.058 Uiso calc U . R 1 . .
    C C6 0.69316(14) 0.6707(2) 0.66157(16) 0.0242(6) Uani d . . . 1 . .
    H H6A 0.650942 0.681329 0.647735 0.029 Uiso calc U . R 1 . .
    H H6AB 0.712096 0.736186 0.670244 0.029 Uiso calc U . R 1 . .
    C C7 0.71041(15) 0.6111(2) 0.73142(17) 0.0313(7) Uani d . . . 1 . .
    H H7A 0.688867 0.548838 0.724414 0.047 Uiso calc U . R 1 . .
    H H7B 0.701849 0.64846 0.771967 0.047 Uiso calc U . R 1 . .
    H H7C 0.751813 0.59705 0.74357 0.047 Uiso calc U . R 1 . .
    C C8 0.84667(12) 0.5353(2) 0.66650(15) 0.0192(6) Uani d . . . 1 . .
    C C9 0.87777(13) 0.4404(2) 0.69522(15) 0.0215(6) Uani d . . . 1 . .
    C C10 0.83252(15) 0.3628(2) 0.70082(19) 0.0319(7) Uani d . . . 1 . .
    H H10A 0.805125 0.353841 0.652101 0.048 Uiso calc U . R 1 . .
    H H10B 0.811864 0.385293 0.736284 0.048 Uiso calc U . R 1 . .
    H H10C 0.851729 0.299901 0.717633 0.048 Uiso calc U . R 1 . .
    C C11 0.92088(14) 0.4559(2) 0.77082(17) 0.0293(7) Uani d . . . 1 . .
    H H11A 0.940228 0.393277 0.788242 0.044 Uiso calc U . R 1 . .
    H H11B 0.900444 0.479235 0.806289 0.044 Uiso calc U . R 1 . .
    H H11C 0.94959 0.505134 0.766375 0.044 Uiso calc U . R 1 . .
    C C12 0.90954(14) 0.4045(2) 0.63889(17) 0.0290(7) Uani d . . . 1 . .
    H H12A 0.881728 0.39504 0.590543 0.044 Uiso calc U . R 1 . .
    H H12B 0.928926 0.34173 0.655771 0.044 Uiso calc U . R 1 . .
    H H12C 0.938191 0.453888 0.634523 0.044 Uiso calc U . R 1 . .
    C C13 0.84389(15) 0.7868(2) 0.69107(17) 0.0287(7) Uani d . . . 1 . .
    H H13A 0.823849 0.839076 0.656791 0.034 Uiso calc U . R 1 . .
    H H13B 0.884999 0.787131 0.691118 0.034 Uiso calc U . R 1 . .
    C C14 0.83898(17) 0.8084(3) 0.76850(19) 0.0376(8) Uani d . . . 1 . .
    H H14A 0.854264 0.874454 0.783653 0.056 Uiso calc U . R 1 . .
    H H14B 0.861088 0.759189 0.803032 0.056 Uiso calc U . R 1 . .
    H H14C 0.798404 0.805375 0.768847 0.056 Uiso calc U . R 1 . .
    C C15 0.89351(13) 0.6653(2) 0.51487(18) 0.0239(7) Uani d . . . 1 . .
    C C16 0.95465(13) 0.7074(2) 0.53475(19) 0.0301(7) Uani d . . . 1 . .
    C C17 0.98791(18) 0.6688(3) 0.4815(3) 0.0508(11) Uani d . . . 1 . .
    H H17A 0.96863 0.690367 0.430992 0.076 Uiso calc U . R 1 . .
    H H17B 0.989084 0.596447 0.483309 0.076 Uiso calc U . R 1 . .
    H H17C 1.02731 0.694859 0.496016 0.076 Uiso calc U . R 1 . .
    C C18 0.94995(15) 0.8211(2) 0.5305(2) 0.0337(8) Uani d . . . 1 . .
    H H18A 0.930795 0.840939 0.479516 0.051 Uiso calc U . R 1 . .
    H H18B 0.988632 0.850043 0.545544 0.051 Uiso calc U . R 1 . .
    H H18C 0.927439 0.844378 0.563572 0.051 Uiso calc U . R 1 . .
    C C19 0.98472(18) 0.6761(3) 0.6131(3) 0.0532(12) Uani d . . . 1 . .
    H H19A 0.989262 0.604162 0.61498 0.08 Uiso calc U . R 1 . .
    H H19B 0.961636 0.696524 0.646308 0.08 Uiso calc U . R 1 . .
    H H19C 1.022742 0.707492 0.628629 0.08 Uiso calc U . R 1 . .
    C C20 0.80270(14) 0.5049(2) 0.39948(16) 0.0273(7) Uani d . . . 1 . .
    H H20A 0.809123 0.54063 0.356311 0.033 Uiso calc U . R 1 . .
    H H20B 0.760771 0.493524 0.390284 0.033 Uiso calc U . R 1 . .
    C C21 0.83364(16) 0.4070(3) 0.40792(19) 0.0378(8) Uani d . . . 1 . .
    H H21A 0.81878 0.367485 0.363026 0.057 Uiso calc U . R 1 . .
    H H21B 0.827214 0.371585 0.450602 0.057 Uiso calc U . R 1 . .
    H H21C 0.875023 0.418222 0.415628 0.057 Uiso calc U . R 1 . .


_geom_special_details                   
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ta1 O7 7_666 1.8931(19) ?
    Ta1 O7 . 1.9896(18) ?
    Ta1 O5 . 1.9981(19) ?
    Ta1 O3 . 2.031(2) ?
    Ta1 O1 . 2.0345(19) ?
    Ta1 O2 . 2.274(2) ?
    Ta1 O4 . 2.323(2) ?
    Ta1 O6 . 2.3916(19) ?
    Ta1 Ta1 7_666 3.0464(2) ?
    O1 C1 . 1.312(3) ?
    O2 C6 . 1.440(3) ?
    O2 N1 . 1.456(3) ?
    O3 C8 . 1.323(3) ?
    O4 N2 . 1.463(3) ?
    O4 C13 . 1.463(4) ?
    O5 C15 . 1.321(4) ?
    O6 C20 . 1.438(3) ?
    O6 N3 . 1.442(3) ?
    N1 C1 . 1.282(4) ?
    N2 C8 . 1.296(4) ?
    N3 C15 . 1.283(4) ?
    C1 C2 . 1.513(4) ?
    C2 C4 . 1.528(4) ?
    C2 C3 . 1.532(4) ?
    C2 C5 . 1.538(5) ?
    C3 H3A . 0.98 ?
    C3 H3B . 0.98 ?
    C3 H3C . 0.98 ?
    C4 H4A . 0.98 ?
    C4 H4B . 0.98 ?
    C4 H4C . 0.98 ?
    C5 H5A . 0.98 ?
    C5 H5B . 0.98 ?
    C5 H5C . 0.98 ?
    C6 C7 . 1.499(4) ?
    C6 H6A . 0.99 ?
    C6 H6AB . 0.99 ?
    C7 H7A . 0.98 ?
    C7 H7B . 0.98 ?
    C7 H7C . 0.98 ?
    C8 C9 . 1.512(4) ?
    C9 C11 . 1.530(4) ?
    C9 C10 . 1.537(4) ?
    C9 C12 . 1.540(4) ?
    C10 H10A . 0.98 ?
    C10 H10B . 0.98 ?
    C10 H10C . 0.98 ?
    C11 H11A . 0.98 ?
    C11 H11B . 0.98 ?
    C11 H11C . 0.98 ?
    C12 H12A . 0.98 ?
    C12 H12B . 0.98 ?
    C12 H12C . 0.98 ?
    C13 C14 . 1.516(4) ?
    C13 H13A . 0.99 ?
    C13 H13B . 0.99 ?
    C14 H14A . 0.98 ?
    C14 H14B . 0.98 ?
    C14 H14C . 0.98 ?
    C15 C16 . 1.529(4) ?
    C16 C19 . 1.512(5) ?
    C16 C17 . 1.531(5) ?
    C16 C18 . 1.543(5) ?
    C17 H17A . 0.98 ?
    C17 H17B . 0.98 ?
    C17 H17C . 0.98 ?
    C18 H18A . 0.98 ?
    C18 H18B . 0.98 ?
    C18 H18C . 0.98 ?
    C19 H19A . 0.98 ?
    C19 H19B . 0.98 ?
    C19 H19C . 0.98 ?
    C20 C21 . 1.508(5) ?
    C20 H20A . 0.99 ?
    C20 H20B . 0.99 ?
    C21 H21A . 0.98 ?
    C21 H21B . 0.98 ?
    C21 H21C . 0.98 ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O7 Ta1 O7 7_666 . 76.66(8) ?
    O7 Ta1 O5 7_666 . 95.75(8) ?
    O7 Ta1 O5 . . 89.04(8) ?
    O7 Ta1 O3 7_666 . 138.72(7) ?
    O7 Ta1 O3 . . 144.62(7) ?
    O5 Ta1 O3 . . 87.42(8) ?
    O7 Ta1 O1 7_666 . 117.64(8) ?
    O7 Ta1 O1 . . 79.87(8) ?
    O5 Ta1 O1 . . 140.66(8) ?
    O3 Ta1 O1 . . 80.82(8) ?
    O7 Ta1 O2 7_666 . 75.72(8) ?
    O7 Ta1 O2 . . 118.98(8) ?
    O5 Ta1 O2 . . 146.75(8) ?
    O3 Ta1 O2 . . 79.39(8) ?
    O1 Ta1 O2 . . 67.20(7) ?
    O7 Ta1 O4 7_666 . 73.97(8) ?
    O7 Ta1 O4 . . 143.72(7) ?
    O5 Ta1 O4 . . 73.34(8) ?
    O3 Ta1 O4 . . 67.60(7) ?
    O1 Ta1 O4 . . 133.12(7) ?
    O2 Ta1 O4 . . 73.41(7) ?
    O7 Ta1 O6 7_666 . 145.94(7) ?
    O7 Ta1 O6 . . 74.02(7) ?
    O5 Ta1 O6 . . 67.01(8) ?
    O3 Ta1 O6 . . 72.22(7) ?
    O1 Ta1 O6 . . 73.65(7) ?
    O2 Ta1 O6 . . 134.51(7) ?
    O4 Ta1 O6 . . 123.71(7) ?
    O7 Ta1 Ta1 7_666 7_666 39.45(5) ?
    O7 Ta1 Ta1 . 7_666 37.20(5) ?
    O5 Ta1 Ta1 . 7_666 92.94(6) ?
    O3 Ta1 Ta1 . 7_666 178.17(5) ?
    O1 Ta1 Ta1 . 7_666 99.99(6) ?
    O2 Ta1 Ta1 . 7_666 99.39(6) ?
    O4 Ta1 Ta1 . 7_666 110.79(5) ?
    O6 Ta1 Ta1 . 7_666 109.58(5) ?
    C1 O1 Ta1 . . 124.13(18) ?
    C6 O2 N1 . . 109.7(2) ?
    C6 O2 Ta1 . . 132.10(17) ?
    N1 O2 Ta1 . . 118.21(14) ?
    C8 O3 Ta1 . . 125.08(18) ?
    N2 O4 C13 . . 108.2(2) ?
    N2 O4 Ta1 . . 116.24(15) ?
    C13 O4 Ta1 . . 122.33(17) ?
    C15 O5 Ta1 . . 127.03(19) ?
    C20 O6 N3 . . 107.3(2) ?
    C20 O6 Ta1 . . 134.02(18) ?
    N3 O6 Ta1 . . 115.58(15) ?
    Ta1 O7 Ta1 7_666 . 103.34(8) ?
    C1 N1 O2 . . 104.9(2) ?
    C8 N2 O4 . . 106.1(2) ?
    C15 N3 O6 . . 106.5(2) ?
    N1 C1 O1 . . 123.1(3) ?
    N1 C1 C2 . . 119.8(2) ?
    O1 C1 C2 . . 117.1(2) ?
    C1 C2 C4 . . 110.9(3) ?
    C1 C2 C3 . . 109.6(2) ?
    C4 C2 C3 . . 110.0(3) ?
    C1 C2 C5 . . 107.0(3) ?
    C4 C2 C5 . . 109.9(3) ?
    C3 C2 C5 . . 109.5(3) ?
    C2 C3 H3A . . 109.5 ?
    C2 C3 H3B . . 109.5 ?
    H3A C3 H3B . . 109.5 ?
    C2 C3 H3C . . 109.5 ?
    H3A C3 H3C . . 109.5 ?
    H3B C3 H3C . . 109.5 ?
    C2 C4 H4A . . 109.5 ?
    C2 C4 H4B . . 109.5 ?
    H4A C4 H4B . . 109.5 ?
    C2 C4 H4C . . 109.5 ?
    H4A C4 H4C . . 109.5 ?
    H4B C4 H4C . . 109.5 ?
    C2 C5 H5A . . 109.5 ?
    C2 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C2 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    O2 C6 C7 . . 111.5(2) ?
    O2 C6 H6A . . 109.3 ?
    C7 C6 H6A . . 109.3 ?
    O2 C6 H6AB . . 109.3 ?
    C7 C6 H6AB . . 109.3 ?
    H6A C6 H6AB . . 108.0 ?
    C6 C7 H7A . . 109.5 ?
    C6 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C6 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N2 C8 O3 . . 122.6(3) ?
    N2 C8 C9 . . 119.7(2) ?
    O3 C8 C9 . . 117.7(2) ?
    C8 C9 C11 . . 111.2(2) ?
    C8 C9 C10 . . 108.2(2) ?
    C11 C9 C10 . . 110.4(2) ?
    C8 C9 C12 . . 108.3(2) ?
    C11 C9 C12 . . 109.9(2) ?
    C10 C9 C12 . . 108.9(3) ?
    C9 C10 H10A . . 109.5 ?
    C9 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C9 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C9 C11 H11A . . 109.5 ?
    C9 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    C9 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    C9 C12 H12A . . 109.5 ?
    C9 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C9 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    O4 C13 C14 . . 110.7(3) ?
    O4 C13 H13A . . 109.5 ?
    C14 C13 H13A . . 109.5 ?
    O4 C13 H13B . . 109.5 ?
    C14 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 108.1 ?
    C13 C14 H14A . . 109.5 ?
    C13 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C13 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    N3 C15 O5 . . 123.9(3) ?
    N3 C15 C16 . . 118.5(3) ?
    O5 C15 C16 . . 117.5(3) ?
    C19 C16 C15 . . 108.1(3) ?
    C19 C16 C17 . . 109.9(3) ?
    C15 C16 C17 . . 110.7(3) ?
    C19 C16 C18 . . 109.8(3) ?
    C15 C16 C18 . . 107.8(3) ?
    C17 C16 C18 . . 110.5(3) ?
    C16 C17 H17A . . 109.5 ?
    C16 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C16 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C16 C18 H18A . . 109.5 ?
    C16 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C16 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C16 C19 H19A . . 109.5 ?
    C16 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C16 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    O6 C20 C21 . . 110.8(3) ?
    O6 C20 H20A . . 109.5 ?
    C21 C20 H20A . . 109.5 ?
    O6 C20 H20B . . 109.5 ?
    C21 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 108.1 ?
    C20 C21 H21A . . 109.5 ?
    C20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?

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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 O2 N1 C1 . . . . 168.6(2) ?
    Ta1 O2 N1 C1 . . . . -11.0(3) ?
    C13 O4 N2 C8 . . . . -155.1(2) ?
    Ta1 O4 N2 C8 . . . . -13.0(3) ?
    C20 O6 N3 C15 . . . . 164.1(2) ?
    Ta1 O6 N3 C15 . . . . 1.2(3) ?
    O2 N1 C1 O1 . . . . -0.2(4) ?
    O2 N1 C1 C2 . . . . -179.9(2) ?
    Ta1 O1 C1 N1 . . . . 13.5(4) ?
    Ta1 O1 C1 C2 . . . . -166.78(19) ?
    N1 C1 C2 C4 . . . . 12.1(4) ?
    O1 C1 C2 C4 . . . . -167.7(3) ?
    N1 C1 C2 C3 . . . . 133.6(3) ?
    O1 C1 C2 C3 . . . . -46.1(4) ?
    N1 C1 C2 C5 . . . . -107.7(3) ?
    O1 C1 C2 C5 . . . . 72.5(3) ?
    N1 O2 C6 C7 . . . . 70.5(3) ?
    Ta1 O2 C6 C7 . . . . -110.0(3) ?
    O4 N2 C8 O3 . . . . 3.6(3) ?
    O4 N2 C8 C9 . . . . -178.2(2) ?
    Ta1 O3 C8 N2 . . . . 9.8(4) ?
    Ta1 O3 C8 C9 . . . . -168.42(18) ?
    N2 C8 C9 C11 . . . . -4.2(4) ?
    O3 C8 C9 C11 . . . . 174.1(2) ?
    N2 C8 C9 C10 . . . . 117.1(3) ?
    O3 C8 C9 C10 . . . . -64.6(3) ?
    N2 C8 C9 C12 . . . . -125.0(3) ?
    O3 C8 C9 C12 . . . . 53.3(3) ?
    N2 O4 C13 C14 . . . . -70.6(3) ?
    Ta1 O4 C13 C14 . . . . 150.1(2) ?
    O6 N3 C15 O5 . . . . -2.1(4) ?
    O6 N3 C15 C16 . . . . 175.3(2) ?
    Ta1 O5 C15 N3 . . . . 2.3(4) ?
    Ta1 O5 C15 C16 . . . . -175.06(19) ?
    N3 C15 C16 C19 . . . . -108.4(4) ?
    O5 C15 C16 C19 . . . . 69.1(4) ?
    N3 C15 C16 C17 . . . . 12.0(4) ?
    O5 C15 C16 C17 . . . . -170.5(3) ?
    N3 C15 C16 C18 . . . . 132.9(3) ?
    O5 C15 C16 C18 . . . . -49.6(4) ?
    N3 O6 C20 C21 . . . . 69.6(3) ?
    Ta1 O6 C20 C21 . . . . -132.1(2) ?




