# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1866075'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H96 Cu7 N24 Na0 O54 Ta12'
_chemical_formula_weight         4201.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4000(12)
_cell_length_b                   14.4623(17)
_cell_length_c                   30.300(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.551(2)
_cell_angle_gamma                90
_cell_volume                     4517.8(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2022
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      25.01

_exptl_crystal_description       bar
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.017
_exptl_crystal_F_000             3646
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    16.165
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.4222
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15327
_diffrn_reflns_av_unetI/netI     0.0922
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.563
_diffrn_reflns_theta_max         25.052
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             7928
_reflns_number_gt                5095
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0405P)²+35.1219P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7928
_refine_ls_number_parameters     547
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1171
_refine_ls_wR_factor_gt          0.0999
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.02731(6) 0.61550(5) 0.44871(2) 0.01477(17) Uani 1 1 d . . . . .
Ta2 Ta -0.09707(6) 0.74113(5) 0.36165(2) 0.01589(18) Uani 1 1 d . . . . .
Ta3 Ta 0.22479(6) 0.73442(5) 0.39196(2) 0.01752(18) Uani 1 1 d . . . . .
Ta4 Ta -0.10819(6) 0.51345(5) 0.35053(2) 0.01491(18) Uani 1 1 d . . . . .
Ta5 Ta 0.09408(6) 0.63332(5) 0.29723(2) 0.01736(18) Uani 1 1 d . . . . .
Ta6 Ta 0.22294(6) 0.50615(5) 0.38311(2) 0.01630(18) Uani 1 1 d . . . . .
Cu1 Cu 0.5619(2) 0.61691(19) 0.37397(8) 0.0315(6) Uani 1 1 d . . . . .
Cu2 Cu 0.0203(2) 0.40452(19) 0.43174(8) 0.0367(6) Uani 1 1 d . . . . .
Cu3 Cu -0.0113(2) 0.88292(18) 0.25875(8) 0.0321(6) Uani 1 1 d . . . . .
Cu4 Cu 0.5000 1.0000 0.5000 0.0602(13) Uani 1 2 d S . P . .
C1 C 0.162(3) 0.986(2) 0.3216(11) 0.102(13) Uani 1 1 d . . . . .
H1A H 0.1821 1.0491 0.3303 0.123 Uiso 1 1 d R U . . .
H1B H 0.1837 0.9478 0.3474 0.123 Uiso 1 1 d R U . . .
C2 C -0.266(2) 0.831(2) 0.2238(10) 0.083(10) Uani 1 1 d . . . . .
H2A H -0.3316 0.7983 0.2370 0.100 Uiso 1 1 d R U . . .
H2B H -0.3075 0.8644 0.1987 0.100 Uiso 1 1 d R U . . .
C3 C 0.245(3) 0.955(2) 0.2862(8) 0.070(9) Uani 1 1 d . . . . .
H3A H 0.3305 0.9393 0.2997 0.083 Uiso 1 1 d R U . . .
H3B H 0.2517 1.0062 0.2662 0.083 Uiso 1 1 d R U . . .
C4 C -0.180(2) 0.7656(17) 0.2078(8) 0.052(6) Uani 1 1 d . U . . .
H4A H -0.2160 0.7456 0.1785 0.062 Uiso 1 1 d R U . . .
H4B H -0.1760 0.7126 0.2270 0.062 Uiso 1 1 d R U . . .
C5 C 0.511(3) 0.679(2) 0.2872(11) 0.095(10) Uani 1 1 d . U . . .
H5A H 0.4283 0.6985 0.2727 0.114 Uiso 1 1 d R U . . .
H5B H 0.5754 0.7065 0.2714 0.114 Uiso 1 1 d R U . . .
C6 C -0.062(3) 0.2141(18) 0.4247(9) 0.067(8) Uani 1 1 d . . . . .
H6A H -0.0596 0.2007 0.4558 0.081 Uiso 1 1 d R U . . .
H6B H -0.1135 0.1678 0.4079 0.081 Uiso 1 1 d R U . . .
C7 C 0.512(4) 0.587(3) 0.2813(12) 0.109(12) Uani 1 1 d . U . . .
H7A H 0.5884 0.5747 0.2677 0.130 Uiso 1 1 d R U . . .
H7B H 0.4386 0.5693 0.2606 0.130 Uiso 1 1 d R U . . .
C8 C 0.069(3) 0.2144(14) 0.4125(8) 0.053(7) Uani 1 1 d . . . . .
H8A H 0.0650 0.2214 0.3808 0.064 Uiso 1 1 d R U . . .
H8B H 0.1109 0.1566 0.4207 0.064 Uiso 1 1 d R U . . .
C9 C 0.603(3) 0.644(2) 0.4664(11) 0.093(11) Uani 1 1 d . U . . .
H9A H 0.6752 0.6669 0.4862 0.111 Uiso 1 1 d R U . . .
H9B H 0.5260 0.6550 0.4801 0.111 Uiso 1 1 d R U . . .
C10 C 0.620(4) 0.548(3) 0.4625(10) 0.108(13) Uani 1 1 d . . . . .
H10A H 0.5577 0.5178 0.4786 0.130 Uiso 1 1 d R U . . .
H10B H 0.7044 0.5313 0.4767 0.130 Uiso 1 1 d R U . . .
C11 C 0.363(3) 1.084(3) 0.4208(13) 0.102(12) Uani 1 1 d . . . . .
H11A H 0.2877 1.0451 0.4176 0.122 Uiso 1 1 d R U . . .
H11B H 0.3428 1.1390 0.4033 0.122 Uiso 1 1 d R U . . .
C12 C 0.478(2) 1.032(2) 0.4042(11) 0.088(11) Uani 1 1 d . . . . .
H12A H 0.5467 1.0750 0.4017 0.106 Uiso 1 1 d R U . . .
H12B H 0.4515 1.0055 0.3754 0.106 Uiso 1 1 d R U . . .
N1 N 0.0308(17) 0.9770(13) 0.3074(5) 0.045(5) Uani 1 1 d . . . . .
H1C H -0.0109 0.9612 0.3305 0.054 Uiso 1 1 d R U . . .
H1D H 0.0005 1.0324 0.2974 0.054 Uiso 1 1 d R U . . .
N2 N -0.0529(15) 0.7990(13) 0.2069(5) 0.038(5) Uani 1 1 d . . . . .
H2C H 0.0033 0.7514 0.2085 0.046 Uiso 1 1 d R U . . .
H2D H -0.0484 0.8300 0.1813 0.046 Uiso 1 1 d R U . . .
N3 N -0.2050(15) 0.8955(13) 0.2551(6) 0.042(5) Uani 1 1 d . . . . .
H3C H -0.2282 0.9536 0.2469 0.051 Uiso 1 1 d R U . . .
H3D H -0.2296 0.8847 0.2820 0.051 Uiso 1 1 d R U . . .
N4 N 0.1806(14) 0.8754(11) 0.2610(5) 0.032(4) Uani 1 1 d . . . . .
H4C H 0.2018 0.8753 0.2332 0.038 Uiso 1 1 d R U . . .
H4D H 0.2095 0.8225 0.2745 0.038 Uiso 1 1 d R U . . .
N5 N 0.5937(16) 0.6953(13) 0.4267(6) 0.043(5) Uani 1 1 d . . . . .
H5C H 0.5286 0.7364 0.4262 0.052 Uiso 1 1 d R U . . .
H5D H 0.6677 0.7270 0.4258 0.052 Uiso 1 1 d R U . . .
N6 N 0.5189(16) 0.5364(14) 0.3208(6) 0.050(5) Uani 1 1 d . . . . .
H6C H 0.4413 0.5093 0.3215 0.060 Uiso 1 1 d R U . . .
H6D H 0.5792 0.4918 0.3205 0.060 Uiso 1 1 d R U . . .
N7 N 0.6027(14) 0.5123(12) 0.4170(6) 0.039(5) Uani 1 1 d . . . . .
H7C H 0.6761 0.4838 0.4117 0.047 Uiso 1 1 d R U . . .
H7D H 0.5378 0.4707 0.4136 0.047 Uiso 1 1 d R U . . .
N8 N 0.1444(14) 0.2919(11) 0.4352(5) 0.027(4) Uani 1 1 d . . . . .
H8C H 0.1717 0.2773 0.4638 0.033 Uiso 1 1 d R U . . .
H8D H 0.2140 0.3045 0.4215 0.033 Uiso 1 1 d R U . . .
N9 N -0.1186(14) 0.3067(11) 0.4145(5) 0.029(4) Uani 1 1 d . . . . .
H9C H -0.1476 0.3110 0.3853 0.035 Uiso 1 1 d R U . . .
H9D H -0.1859 0.3161 0.4299 0.035 Uiso 1 1 d R U . . .
N10 N 0.5241(17) 0.7242(13) 0.3323(6) 0.043(5) Uani 1 1 d . U . . .
H10C H 0.5904 0.7647 0.3356 0.052 Uiso 1 1 d R U . . .
H10D H 0.4514 0.7537 0.3375 0.052 Uiso 1 1 d R U . . .
N11 N 0.400(2) 1.1089(15) 0.4692(9) 0.087(8) Uani 1 1 d . . . . .
H11C H 0.4499 1.1597 0.4714 0.104 Uiso 1 1 d R U . . .
H11D H 0.3283 1.1209 0.4822 0.104 Uiso 1 1 d R U . . .
N12 N 0.526(2) 0.9567(14) 0.4384(7) 0.070(7) Uani 1 1 d . . . . .
H12C H 0.4814 0.9043 0.4316 0.084 Uiso 1 1 d R U . . .
H12D H 0.6110 0.9451 0.4374 0.084 Uiso 1 1 d R U . . .
O1 O -0.0969(10) 0.5130(8) 0.4198(3) 0.014(3) Uani 1 1 d . . . . .
O1W O 0.2677(19) 0.6161(15) 0.1774(7) 0.090(6) Uani 1 1 d . U . . .
O2 O 0.0513(9) 0.4284(7) 0.3694(3) 0.009(2) Uani 1 1 d . U . . .
O2W O 0.4957(18) 0.2750(12) 0.4036(7) 0.084(7) Uani 1 1 d . . . . .
O3 O 0.0655(11) 0.8105(8) 0.3820(4) 0.021(3) Uani 1 1 d . . . . .
O3W O -0.196(2) 0.9972(12) 0.3942(6) 0.077(6) Uani 1 1 d . . . . .
O4 O 0.2122(10) 0.5317(9) 0.3202(4) 0.023(3) Uani 1 1 d . . . . .
O4W O -0.3984(14) 0.2799(13) 0.3257(6) 0.074(6) Uani 1 1 d . . . . .
O5 O 0.3232(9) 0.6151(8) 0.3980(4) 0.018(3) Uani 1 1 d . . . . .
O5W O -0.1734(16) 0.8370(11) 0.4809(5) 0.059(5) Uani 1 1 d . . . . .
O6 O 0.2222(11) 0.7224(8) 0.3276(4) 0.019(3) Uani 1 1 d . . . . .
O7 O -0.0993(10) 0.7075(7) 0.4266(4) 0.015(3) Uani 1 1 d . . . . .
O8 O -0.0386(11) 0.7276(8) 0.3039(4) 0.019(3) Uani 1 1 d . . . . .
O9 O 0.1521(10) 0.5076(8) 0.4429(3) 0.014(2) Uani 1 1 d . U . . .
O9W O 0.6725(19) 0.2498(17) 0.4772(7) 0.103(8) Uani 1 1 d . . . . .
O10 O -0.2057(10) 0.6249(8) 0.3499(4) 0.019(3) Uani 1 1 d . . . . .
O10W O 0.050(2) 0.9500(16) 0.4416(8) 0.115(9) Uani 1 1 d . . . . .
O11 O 0.1684(10) 0.7005(8) 0.4511(4) 0.018(3) Uani 1 1 d . . . . .
O12 O -0.0432(10) 0.5367(8) 0.2960(4) 0.017(3) Uani 1 1 d . U . . .
O13 O -0.2175(11) 0.8309(8) 0.3524(4) 0.028(3) Uani 1 1 d . . . . .
O14 O 0.0587(10) 0.6204(8) 0.3740(4) 0.016(2) Uani 1 1 d . . . . .
O15 O 0.0014(10) 0.6084(8) 0.5055(4) 0.023(3) Uani 1 1 d . U . . .
O16 O 0.1151(11) 0.6420(10) 0.2401(4) 0.032(3) Uani 1 1 d . . . . .
O17 O 0.3382(11) 0.4128(9) 0.3911(4) 0.025(3) Uani 1 1 d . . . . .
O18 O 0.3510(11) 0.8163(9) 0.4067(4) 0.030(3) Uani 1 1 d . . . . .
O19 O -0.2294(10) 0.4270(9) 0.3361(4) 0.026(3) Uani 1 1 d . . . . .
O6W O 0.747(3) 0.066(2) 0.4907(10) 0.163(11) Uani 1 1 d . U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O15 1.780(12) . ?
Ta1 O11 1.908(11) . ?
Ta1 O7 1.929(11) . ?
Ta1 O9 2.052(11) . ?
Ta1 O1 2.083(10) . ?
Ta1 O14 2.330(11) . ?
Ta1 Cu2 3.093(3) . ?
Ta1 Ta2 3.3219(10) . ?
Ta1 Ta3 3.3258(10) . ?
Ta2 O13 1.800(11) . ?
Ta2 O8 1.938(11) . ?
Ta2 O3 1.993(11) . ?
Ta2 O7 2.030(11) . ?
Ta2 O10 2.031(11) . ?
Ta2 O14 2.378(11) . ?
Ta2 Ta4 3.3104(11) . ?
Ta2 Ta5 3.3487(10) . ?
Ta2 Ta3 3.3540(10) . ?
Ta3 O18 1.781(11) . ?
Ta3 O6 1.954(11) . ?
Ta3 O3 1.978(11) . ?
Ta3 O5 2.002(11) . ?
Ta3 O11 2.019(11) . ?
Ta3 O14 2.398(11) . ?
Ta3 Ta6 3.3120(11) . ?
Ta3 Ta5 3.3466(11) . ?
Ta4 O19 1.788(12) . ?
Ta4 O12 1.894(11) . ?
Ta4 O10 1.903(11) . ?
Ta4 O2 2.084(10) . ?
Ta4 O1 2.086(10) . ?
Ta4 O14 2.363(11) . ?
Ta4 Cu2 3.075(3) . ?
Ta4 Ta5 3.3064(10) . ?
Ta5 O16 1.777(12) . ?
Ta5 O8 1.968(12) . ?
Ta5 O4 1.982(12) . ?
Ta5 O6 1.989(11) . ?
Ta5 O12 1.995(11) . ?
Ta5 O14 2.410(11) . ?
Ta5 Ta6 3.3217(10) . ?
Ta6 O17 1.801(11) . ?
Ta6 O5 1.911(11) . ?
Ta6 O4 1.931(11) . ?
Ta6 O9 2.043(10) . ?
Ta6 O2 2.104(10) . ?
Ta6 O14 2.367(11) . ?
Ta6 Cu2 3.097(3) . ?
Cu1 N5 1.951(17) . ?
Cu1 N6 1.991(18) . ?
Cu1 N10 2.007(17) . ?
Cu1 N7 2.007(18) . ?
Cu2 O15 1.953(12) 3_566 ?
Cu2 O2 1.988(10) . ?
Cu2 O1 1.991(11) . ?
Cu2 O9 2.023(11) . ?
Cu2 N9 2.040(14) . ?
Cu2 N8 2.072(14) . ?
Cu3 N2 1.988(17) . ?
Cu3 N4 1.991(15) . ?
Cu3 N1 2.011(17) . ?
Cu3 N3 2.011(16) . ?
Cu4 N12 2.02(2) 3_676 ?
Cu4 N12 2.02(2) . ?
Cu4 N11 2.05(2) 3_676 ?
Cu4 N11 2.05(2) . ?
C1 N1 1.38(3) . ?
C1 C3 1.53(4) . ?
C2 N3 1.42(3) . ?
C2 C4 1.42(3) . ?
C3 N4 1.49(3) . ?
C4 N2 1.41(3) . ?
C5 C7 1.33(4) . ?
C5 N10 1.51(3) . ?
C6 C8 1.46(3) . ?
C6 N9 1.48(3) . ?
C7 N6 1.40(4) . ?
C8 N8 1.48(3) . ?
C9 C10 1.40(4) . ?
C9 N5 1.41(3) . ?
C10 N7 1.46(3) . ?
C11 N11 1.51(4) . ?
C11 C12 1.55(4) . ?
C12 N12 1.54(3) . ?
O15 Cu2 1.953(12) 3_566 ?

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
O15 Ta1 O11 102.3(5) . . ?
O15 Ta1 O7 101.1(5) . . ?
O11 Ta1 O7 93.2(5) . . ?
O15 Ta1 O9 102.6(5) . . ?
O11 Ta1 O9 90.1(5) . . ?
O7 Ta1 O9 154.8(4) . . ?
O15 Ta1 O1 101.6(5) . . ?
O11 Ta1 O1 155.0(4) . . ?
O7 Ta1 O1 89.3(4) . . ?
O9 Ta1 O1 77.7(4) . . ?
O15 Ta1 O14 178.3(5) . . ?
O11 Ta1 O14 79.2(4) . . ?
O7 Ta1 O14 79.5(4) . . ?
O9 Ta1 O14 76.6(4) . . ?
O1 Ta1 O14 76.8(4) . . ?
O15 Ta1 Cu2 95.8(4) . . ?
O11 Ta1 Cu2 130.0(4) . . ?
O7 Ta1 Cu2 128.5(3) . . ?
O9 Ta1 Cu2 40.3(3) . . ?
O1 Ta1 Cu2 39.5(3) . . ?
O14 Ta1 Cu2 82.6(3) . . ?
O15 Ta1 Ta2 135.0(4) . . ?
O11 Ta1 Ta2 84.0(3) . . ?
O7 Ta1 Ta2 33.9(3) . . ?
O9 Ta1 Ta2 122.2(3) . . ?
O1 Ta1 Ta2 84.3(3) . . ?
O14 Ta1 Ta2 45.7(3) . . ?
Cu2 Ta1 Ta2 114.16(5) . . ?
O15 Ta1 Ta3 135.4(4) . . ?
O11 Ta1 Ta3 33.2(3) . . ?
O7 Ta1 Ta3 84.5(3) . . ?
O9 Ta1 Ta3 84.7(3) . . ?
O1 Ta1 Ta3 122.8(3) . . ?
O14 Ta1 Ta3 46.1(3) . . ?
Cu2 Ta1 Ta3 115.27(5) . . ?
Ta2 Ta1 Ta3 60.60(2) . . ?
O13 Ta2 O8 103.1(5) . . ?
O13 Ta2 O3 103.3(5) . . ?
O8 Ta2 O3 88.6(5) . . ?
O13 Ta2 O7 103.2(5) . . ?
O8 Ta2 O7 153.7(5) . . ?
O3 Ta2 O7 86.4(4) . . ?
O13 Ta2 O10 102.1(5) . . ?
O8 Ta2 O10 89.5(5) . . ?
O3 Ta2 O10 154.3(4) . . ?
O7 Ta2 O10 83.9(4) . . ?
O13 Ta2 O14 178.9(5) . . ?
O8 Ta2 O14 77.3(4) . . ?
O3 Ta2 O14 77.8(4) . . ?
O7 Ta2 O14 76.4(4) . . ?
O10 Ta2 O14 76.8(4) . . ?
O13 Ta2 Ta4 133.4(4) . . ?
O8 Ta2 Ta4 79.5(3) . . ?
O3 Ta2 Ta4 123.3(3) . . ?
O7 Ta2 Ta4 81.7(3) . . ?
O10 Ta2 Ta4 31.5(3) . . ?
O14 Ta2 Ta4 45.5(3) . . ?
O13 Ta2 Ta1 135.1(4) . . ?
O8 Ta2 Ta1 121.8(3) . . ?
O3 Ta2 Ta1 78.7(3) . . ?
O7 Ta2 Ta1 32.0(3) . . ?
O10 Ta2 Ta1 80.6(3) . . ?
O14 Ta2 Ta1 44.5(3) . . ?
Ta4 Ta2 Ta1 62.71(2) . . ?
O13 Ta2 Ta5 134.3(4) . . ?
O8 Ta2 Ta5 31.3(3) . . ?
O3 Ta2 Ta5 82.5(3) . . ?
O7 Ta2 Ta5 122.4(3) . . ?
O10 Ta2 Ta5 82.6(3) . . ?
O14 Ta2 Ta5 46.0(3) . . ?
Ta4 Ta2 Ta5 59.54(2) . . ?
Ta1 Ta2 Ta5 90.53(3) . . ?
O13 Ta2 Ta3 135.4(4) . . ?
O8 Ta2 Ta3 79.9(3) . . ?
O3 Ta2 Ta3 32.2(3) . . ?
O7 Ta2 Ta3 82.3(3) . . ?
O10 Ta2 Ta3 122.4(3) . . ?
O14 Ta2 Ta3 45.6(3) . . ?
Ta4 Ta2 Ta3 91.11(2) . . ?
Ta1 Ta2 Ta3 59.76(2) . . ?
Ta5 Ta2 Ta3 59.91(2) . . ?
O18 Ta3 O6 102.9(5) . . ?
O18 Ta3 O3 104.1(5) . . ?
O6 Ta3 O3 89.8(5) . . ?
O18 Ta3 O5 101.5(5) . . ?
O6 Ta3 O5 87.4(5) . . ?
O3 Ta3 O5 154.3(5) . . ?
O18 Ta3 O11 103.2(5) . . ?
O6 Ta3 O11 153.7(4) . . ?
O3 Ta3 O11 86.3(5) . . ?
O5 Ta3 O11 85.0(5) . . ?
O18 Ta3 O14 178.0(5) . . ?
O6 Ta3 O14 78.3(4) . . ?
O3 Ta3 O14 77.5(4) . . ?
O5 Ta3 O14 76.9(4) . . ?
O11 Ta3 O14 75.5(4) . . ?
O18 Ta3 Ta6 132.8(4) . . ?
O6 Ta3 Ta6 80.3(3) . . ?
O3 Ta3 Ta6 123.1(3) . . ?
O5 Ta3 Ta6 31.3(3) . . ?
O11 Ta3 Ta6 80.2(3) . . ?
O14 Ta3 Ta6 45.6(3) . . ?
O18 Ta3 Ta1 134.3(4) . . ?
O6 Ta3 Ta1 122.8(3) . . ?
O3 Ta3 Ta1 78.7(3) . . ?
O5 Ta3 Ta1 81.4(3) . . ?
O11 Ta3 Ta1 31.1(3) . . ?
O14 Ta3 Ta1 44.5(3) . . ?
Ta6 Ta3 Ta1 61.90(2) . . ?
O18 Ta3 Ta5 135.2(4) . . ?
O6 Ta3 Ta5 32.3(3) . . ?
O3 Ta3 Ta5 82.8(3) . . ?
O5 Ta3 Ta5 81.2(3) . . ?
O11 Ta3 Ta5 121.5(3) . . ?
O14 Ta3 Ta5 46.0(3) . . ?
Ta6 Ta3 Ta5 59.85(2) . . ?
Ta1 Ta3 Ta5 90.50(3) . . ?
O18 Ta3 Ta2 136.5(4) . . ?
O6 Ta3 Ta2 81.2(3) . . ?
O3 Ta3 Ta2 32.5(3) . . ?
O5 Ta3 Ta2 122.0(3) . . ?
O11 Ta3 Ta2 81.6(3) . . ?
O14 Ta3 Ta2 45.1(3) . . ?
Ta6 Ta3 Ta2 90.67(2) . . ?
Ta1 Ta3 Ta2 59.64(2) . . ?
Ta5 Ta3 Ta2 59.97(2) . . ?
O19 Ta4 O12 103.4(5) . . ?
O19 Ta4 O10 103.4(5) . . ?
O12 Ta4 O10 95.3(5) . . ?
O19 Ta4 O2 99.5(5) . . ?
O12 Ta4 O2 88.9(4) . . ?
O10 Ta4 O2 155.1(4) . . ?
O19 Ta4 O1 100.9(5) . . ?
O12 Ta4 O1 153.9(4) . . ?
O10 Ta4 O1 88.4(4) . . ?
O2 Ta4 O1 77.6(4) . . ?
O19 Ta4 O14 175.7(5) . . ?
O12 Ta4 O14 79.3(4) . . ?
O10 Ta4 O14 79.5(4) . . ?
O2 Ta4 O14 77.1(4) . . ?
O1 Ta4 O14 76.0(4) . . ?
O19 Ta4 Cu2 93.2(4) . . ?
O12 Ta4 Cu2 128.4(3) . . ?
O10 Ta4 Cu2 128.1(3) . . ?
O2 Ta4 Cu2 39.8(3) . . ?
O1 Ta4 Cu2 39.9(3) . . ?
O14 Ta4 Cu2 82.5(3) . . ?
O19 Ta4 Ta5 136.0(4) . . ?
O12 Ta4 Ta5 32.7(3) . . ?
O10 Ta4 Ta5 85.6(3) . . ?
O2 Ta4 Ta5 84.8(3) . . ?
O1 Ta4 Ta5 122.5(3) . . ?
O14 Ta4 Ta5 46.7(3) . . ?
Cu2 Ta4 Ta5 114.96(5) . . ?
O19 Ta4 Ta2 137.3(4) . . ?
O12 Ta4 Ta2 84.3(3) . . ?
O10 Ta4 Ta2 33.9(3) . . ?
O2 Ta4 Ta2 122.9(3) . . ?
O1 Ta4 Ta2 84.5(3) . . ?
O14 Ta4 Ta2 45.9(3) . . ?
Cu2 Ta4 Ta2 114.98(6) . . ?
Ta5 Ta4 Ta2 60.81(2) . . ?
O16 Ta5 O8 103.2(5) . . ?
O16 Ta5 O4 104.2(5) . . ?
O8 Ta5 O4 152.6(5) . . ?
O16 Ta5 O6 104.1(5) . . ?
O8 Ta5 O6 86.6(4) . . ?
O4 Ta5 O6 88.3(5) . . ?
O16 Ta5 O12 102.2(5) . . ?
O8 Ta5 O12 88.7(4) . . ?
O4 Ta5 O12 84.0(4) . . ?
O6 Ta5 O12 153.6(4) . . ?
O16 Ta5 O14 178.2(5) . . ?
O8 Ta5 O14 75.9(4) . . ?
O4 Ta5 O14 76.7(4) . . ?
O6 Ta5 O14 77.4(4) . . ?
O12 Ta5 O14 76.3(4) . . ?
O16 Ta5 Ta4 132.9(4) . . ?
O8 Ta5 Ta4 79.3(3) . . ?
O4 Ta5 Ta4 81.1(3) . . ?
O6 Ta5 Ta4 122.9(3) . . ?
O12 Ta5 Ta4 30.9(3) . . ?
O14 Ta5 Ta4 45.6(3) . . ?
O16 Ta5 Ta6 135.5(4) . . ?
O8 Ta5 Ta6 121.3(3) . . ?
O4 Ta5 Ta6 31.4(3) . . ?
O6 Ta5 Ta6 79.6(3) . . ?
O12 Ta5 Ta6 80.8(3) . . ?
O14 Ta5 Ta6 45.4(3) . . ?
Ta4 Ta5 Ta6 62.88(2) . . ?
O16 Ta5 Ta3 135.8(4) . . ?
O8 Ta5 Ta3 79.7(3) . . ?
O4 Ta5 Ta3 81.9(3) . . ?
O6 Ta5 Ta3 31.6(3) . . ?
O12 Ta5 Ta3 122.0(3) . . ?
O14 Ta5 Ta3 45.8(3) . . ?
Ta4 Ta5 Ta3 91.31(3) . . ?
Ta6 Ta5 Ta3 59.56(2) . . ?
O16 Ta5 Ta2 133.9(4) . . ?
O8 Ta5 Ta2 30.7(3) . . ?
O4 Ta5 Ta2 121.9(3) . . ?
O6 Ta5 Ta2 80.9(3) . . ?
O12 Ta5 Ta2 81.8(3) . . ?
O14 Ta5 Ta2 45.2(3) . . ?
Ta4 Ta5 Ta2 59.66(2) . . ?
Ta6 Ta5 Ta2 90.59(3) . . ?
Ta3 Ta5 Ta2 60.13(2) . . ?
O17 Ta6 O5 104.7(5) . . ?
O17 Ta6 O4 103.1(5) . . ?
O5 Ta6 O4 92.0(5) . . ?
O17 Ta6 O9 101.6(5) . . ?
O5 Ta6 O9 91.8(5) . . ?
O4 Ta6 O9 153.2(4) . . ?
O17 Ta6 O2 99.1(5) . . ?
O5 Ta6 O2 155.5(4) . . ?
O4 Ta6 O2 88.3(4) . . ?
O9 Ta6 O2 77.6(4) . . ?
O17 Ta6 O14 175.4(5) . . ?
O5 Ta6 O14 79.3(4) . . ?
O4 Ta6 O14 78.7(4) . . ?
O9 Ta6 O14 75.9(4) . . ?
O2 Ta6 O14 76.7(4) . . ?
O17 Ta6 Cu2 93.6(4) . . ?
O5 Ta6 Cu2 131.5(3) . . ?
O4 Ta6 Cu2 127.3(3) . . ?
O9 Ta6 Cu2 40.2(3) . . ?
O2 Ta6 Cu2 39.4(3) . . ?
O14 Ta6 Cu2 82.0(3) . . ?
O17 Ta6 Ta3 137.7(4) . . ?
O5 Ta6 Ta3 33.0(3) . . ?
O4 Ta6 Ta3 83.6(4) . . ?
O9 Ta6 Ta3 85.2(3) . . ?
O2 Ta6 Ta3 123.0(3) . . ?
O14 Ta6 Ta3 46.4(3) . . ?
Cu2 Ta6 Ta3 115.57(6) . . ?
O17 Ta6 Ta5 135.5(4) . . ?
O5 Ta6 Ta5 83.1(3) . . ?
O4 Ta6 Ta5 32.4(3) . . ?
O9 Ta6 Ta5 122.2(3) . . ?
O2 Ta6 Ta5 84.1(3) . . ?
O14 Ta6 Ta5 46.5(3) . . ?
Cu2 Ta6 Ta5 113.94(5) . . ?
Ta3 Ta6 Ta5 60.59(2) . . ?
N5 Cu1 N6 176.7(7) . . ?
N5 Cu1 N10 93.7(8) . . ?
N6 Cu1 N10 86.5(8) . . ?
N5 Cu1 N7 84.7(7) . . ?
N6 Cu1 N7 95.2(8) . . ?
N10 Cu1 N7 178.2(8) . . ?
O15 Cu2 O2 174.7(5) 3_566 . ?
O15 Cu2 O1 96.1(5) 3_566 . ?
O2 Cu2 O1 82.1(4) . . ?
O15 Cu2 O9 94.1(5) 3_566 . ?
O2 Cu2 O9 80.8(4) . . ?
O1 Cu2 O9 80.5(4) . . ?
O15 Cu2 N9 90.8(6) 3_566 . ?
O2 Cu2 N9 94.3(6) . . ?
O1 Cu2 N9 96.0(5) . . ?
O9 Cu2 N9 174.3(5) . . ?
O15 Cu2 N8 91.5(5) 3_566 . ?
O2 Cu2 N8 90.4(5) . . ?
O1 Cu2 N8 172.4(5) . . ?
O9 Cu2 N8 99.6(5) . . ?
N9 Cu2 N8 83.3(6) . . ?
O15 Cu2 Ta4 137.3(3) 3_566 . ?
O2 Cu2 Ta4 42.1(3) . . ?
O1 Cu2 Ta4 42.2(3) . . ?
O9 Cu2 Ta4 88.3(3) . . ?
N9 Cu2 Ta4 86.1(4) . . ?
N8 Cu2 Ta4 130.2(4) . . ?
O15 Cu2 Ta1 86.3(4) 3_566 . ?
O2 Cu2 Ta1 89.1(3) . . ?
O1 Cu2 Ta1 41.7(3) . . ?
O9 Cu2 Ta1 41.0(3) . . ?
N9 Cu2 Ta1 136.6(5) . . ?
N8 Cu2 Ta1 140.0(5) . . ?
Ta4 Cu2 Ta1 68.04(6) . . ?
O15 Cu2 Ta6 133.0(3) 3_566 . ?
O2 Cu2 Ta6 42.3(3) . . ?
O1 Cu2 Ta6 88.8(3) . . ?
O9 Cu2 Ta6 40.6(3) . . ?
N9 Cu2 Ta6 135.3(5) . . ?
N8 Cu2 Ta6 86.5(5) . . ?
Ta4 Cu2 Ta6 68.13(6) . . ?
Ta1 Cu2 Ta6 66.94(6) . . ?
N2 Cu3 N4 96.2(6) . . ?
N2 Cu3 N1 175.0(7) . . ?
N4 Cu3 N1 83.7(7) . . ?
N2 Cu3 N3 84.2(7) . . ?
N4 Cu3 N3 177.6(7) . . ?
N1 Cu3 N3 95.7(7) . . ?
N12 Cu4 N12 180.0(13) 3_676 . ?
N12 Cu4 N11 86.6(10) 3_676 3_676 ?
N12 Cu4 N11 93.4(10) . 3_676 ?
N12 Cu4 N11 93.4(10) 3_676 . ?
N12 Cu4 N11 86.6(10) . . ?
N11 Cu4 N11 180.0 3_676 . ?
N1 C1 C3 112(2) . . ?
N3 C2 C4 115(2) . . ?
N4 C3 C1 109(2) . . ?
N2 C4 C2 114(2) . . ?
C7 C5 N10 124(3) . . ?
C8 C6 N9 108(2) . . ?
C5 C7 N6 114(3) . . ?
C6 C8 N8 110(2) . . ?
C10 C9 N5 116(3) . . ?
C9 C10 N7 115(3) . . ?
N11 C11 C12 109(3) . . ?
N12 C12 C11 109(3) . . ?
C1 N1 Cu3 113.9(18) . . ?
C4 N2 Cu3 107.5(14) . . ?
C2 N3 Cu3 109.3(16) . . ?
C3 N4 Cu3 110.7(15) . . ?
C9 N5 Cu1 112.2(18) . . ?
C7 N6 Cu1 111(2) . . ?
C10 N7 Cu1 109.7(17) . . ?
C8 N8 Cu2 106.4(12) . . ?
C6 N9 Cu2 109.0(13) . . ?
C5 N10 Cu1 102.6(16) . . ?
C11 N11 Cu4 108.1(18) . . ?
C12 N12 Cu4 109.2(16) . . ?
Cu2 O1 Ta1 98.8(4) . . ?
Cu2 O1 Ta4 97.9(4) . . ?
Ta1 O1 Ta4 111.8(5) . . ?
Cu2 O2 Ta4 98.1(4) . . ?
Cu2 O2 Ta6 98.3(4) . . ?
Ta4 O2 Ta6 111.3(5) . . ?
Ta3 O3 Ta2 115.3(6) . . ?
Ta6 O4 Ta5 116.2(6) . . ?
Ta6 O5 Ta3 115.6(5) . . ?
Ta3 O6 Ta5 116.1(5) . . ?
Ta1 O7 Ta2 114.1(5) . . ?
Ta2 O8 Ta5 118.0(6) . . ?
Cu2 O9 Ta6 99.2(5) . . ?
Cu2 O9 Ta1 98.8(4) . . ?
Ta6 O9 Ta1 113.0(5) . . ?
Ta4 O10 Ta2 114.6(5) . . ?
Ta1 O11 Ta3 115.7(5) . . ?
Ta4 O12 Ta5 116.4(6) . . ?
Ta1 O14 Ta4 94.7(4) . . ?
Ta1 O14 Ta6 93.2(4) . . ?
Ta4 O14 Ta6 93.9(4) . . ?
Ta1 O14 Ta2 89.8(4) . . ?
Ta4 O14 Ta2 88.6(3) . . ?
Ta6 O14 Ta2 175.9(6) . . ?
Ta1 O14 Ta3 89.4(4) . . ?
Ta4 O14 Ta3 175.4(5) . . ?
Ta6 O14 Ta3 88.1(3) . . ?
Ta2 O14 Ta3 89.2(4) . . ?
Ta1 O14 Ta5 177.2(6) . . ?
Ta4 O14 Ta5 87.7(4) . . ?
Ta6 O14 Ta5 88.1(4) . . ?
Ta2 O14 Ta5 88.8(4) . . ?
Ta3 O14 Ta5 88.2(4) . . ?
Ta1 O15 Cu2 177.0(7) . 3_566 ?

_refine_diff_density_max         2.157
_refine_diff_density_min         -2.218
_refine_diff_density_rms         0.340

_shelxl_version_number           2014-3

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_A
_database_code_depnum_ccdc_archive 'CCDC 1866077'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H76 Cu5 N16 Na4 O70 Ta12'
_chemical_formula_weight         4290.06

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'
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'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.8976(9)
_cell_length_b                   14.5477(9)
_cell_length_c                   15.7824(10)
_cell_angle_alpha                79.5988(15)
_cell_angle_beta                 66.3800(13)
_cell_angle_gamma                67.5801(13)
_cell_volume                     2701.1(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4282
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      25.02

_exptl_crystal_description       slice
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.590
_exptl_crystal_F_000             1881
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    13.166
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.4399
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14263
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.703
_diffrn_reflns_theta_max         23.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.787
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.787
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.787
_reflns_number_total             7691
_reflns_number_gt                5649
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0752P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7691
_refine_ls_number_parameters     571
_refine_ls_number_restraints     366
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1366
_refine_ls_wR_factor_gt          0.1253
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.70284(4) 0.84001(4) 0.23126(4) 0.01814(17) Uani 1 1 d . U . . .
Ta2 Ta 0.67004(4) 0.86211(4) 0.45542(4) 0.01463(17) Uani 1 1 d . U . . .
Ta3 Ta 0.97823(4) 0.75493(4) 0.17537(4) 0.01951(18) Uani 1 1 d . U . . .
Ta4 Ta 0.94582(4) 0.77377(4) 0.39479(4) 0.01731(17) Uani 1 1 d . U . . .
Ta5 Ta 0.83706(4) 0.97158(4) 0.27614(4) 0.01545(17) Uani 1 1 d . U . . .
Ta6 Ta 0.81670(5) 0.64634(4) 0.35049(4) 0.01910(17) Uani 1 1 d . U . . .
Cu1 Cu 1.0000 1.5000 0.0000 0.0539(9) Uani 1 2 d S U P . .
Cu2 Cu 0.58159(17) 1.03863(15) 0.33332(15) 0.0388(5) Uani 1 1 d . U . . .
Cu3 Cu 1.0000 1.0000 0.0000 0.0361(7) Uani 1 2 d S U P . .
Cu4 Cu 1.0000 0.5000 0.5000 0.0411(7) Uani 1 2 d S U P . .
Na1 Na 0.6300(5) 1.2840(5) 0.5101(5) 0.0424(15) Uani 1 1 d . U . . .
Na2 Na 0.7465(4) 1.0723(4) 0.6288(4) 0.0339(14) Uani 1 1 d . U . . .
C1 C 0.525(2) 1.2262(16) 0.2361(18) 0.079(4) Uani 1 1 d D U . . .
H1A H 0.4669 1.2853 0.2655 0.095 Uiso 1 1 d R U . . .
H1B H 0.5730 1.2476 0.1793 0.095 Uiso 1 1 d R U . . .
C2 C 0.474(2) 1.1743(17) 0.2038(19) 0.087(4) Uani 1 1 d D U . . .
H2A H 0.5413 1.1481 0.1519 0.104 Uiso 1 1 d DR U . . .
C3 C 0.785(2) 0.5197(18) 0.6490(18) 0.080(6) Uani 1 1 d . U . . .
H3A H 0.8268 0.4634 0.6773 0.096 Uiso 1 1 d R U . . .
C4 C 1.1708(18) 0.9984(19) 0.0554(16) 0.073(6) Uani 1 1 d D U . . .
H4A H 1.1434 0.9608 0.1104 0.087 Uiso 1 1 d R U . . .
C5 C 1.094(2) 1.1023(18) 0.0671(19) 0.083(6) Uani 1 1 d . U . . .
H5A H 1.1276 1.1460 0.0226 0.100 Uiso 1 1 d R U . . .
H5B H 1.0791 1.1209 0.1276 0.100 Uiso 1 1 d R U . . .
C7 C 0.825(2) 0.587(2) 0.6681(19) 0.089(6) Uani 1 1 d . U . . .
H7A H 0.8297 0.5665 0.7282 0.107 Uiso 1 1 d R U . . .
H7B H 0.7726 0.6537 0.6727 0.107 Uiso 1 1 d R U . . .
C8 C 1.213(2) 1.4737(18) -0.142(2) 0.106(10) Uani 1 1 d . U . . .
H8A H 1.2717 1.4621 -0.1188 0.127 Uiso 1 1 d R U . . .
H8B H 1.2469 1.4557 -0.2053 0.127 Uiso 1 1 d R U . . .
C9 C 1.152(2) 1.576(2) -0.140(2) 0.106(7) Uani 1 1 d D U . . .
H9A H 1.1136 1.5811 -0.1811 0.127 Uiso 1 1 d R U . . .
N1 N 0.8577(12) 0.4737(10) 0.5547(11) 0.051(3) Uani 1 1 d . U . . .
H1C H 0.8721 0.4076 0.5608 0.061 Uiso 1 1 d R U . . .
H1D H 0.8199 0.4986 0.5160 0.061 Uiso 1 1 d R U . . .
N2 N 0.9366(14) 0.5836(11) 0.6082(11) 0.057(4) Uani 1 1 d . U . . .
H2B H 0.9342 0.6461 0.5881 0.068 Uiso 1 1 d R U . . .
H2C H 0.9824 0.5605 0.6404 0.068 Uiso 1 1 d R U . . .
N3 N 0.5925(11) 1.1776(9) 0.2915(10) 0.040(3) Uani 1 1 d . U . . .
H3B H 0.6641 1.1727 0.2586 0.048 Uiso 1 1 d R U . . .
H3C H 0.5673 1.2141 0.3412 0.048 Uiso 1 1 d R U . . .
N4 N 0.4881(9) 1.0755(9) 0.2493(9) 0.032(3) Uani 1 1 d . U . . .
H4B H 0.4203 1.0710 0.2837 0.038 Uiso 1 1 d R U . . .
H4C H 0.5218 1.0302 0.2050 0.038 Uiso 1 1 d DR U . . .
N5 N 1.0589(16) 1.6111(12) -0.0585(13) 0.075(5) Uani 1 1 d D U . . .
H5C H 1.0808 1.6302 -0.0200 0.090 Uiso 1 1 d R U . . .
H5D H 1.0051 1.6636 -0.0711 0.090 Uiso 1 1 d R U . . .
N6 N 1.1403(15) 1.4142(11) -0.0864(11) 0.062(4) Uani 1 1 d . U . . .
H6A H 1.1255 1.3867 -0.1244 0.074 Uiso 1 1 d R U . . .
H6B H 1.1758 1.3649 -0.0545 0.074 Uiso 1 1 d R U . . .
N7 N 0.8335(13) 1.0449(13) 0.0209(11) 0.060(4) Uani 1 1 d . U . . .
N8 N 0.9842(13) 1.1131(11) 0.0625(11) 0.051(4) Uani 1 1 d . U . . .
H8C H 0.9322 1.1166 0.1199 0.061 Uiso 1 1 d R U . . .
H8D H 0.9613 1.1698 0.0309 0.061 Uiso 1 1 d R U . . .
O1W O 1.2418(13) 0.7776(14) 0.2082(11) 0.089(5) Uani 1 1 d . . . . .
O1 O 0.6940(9) 0.9942(8) 0.3950(8) 0.0386(16) Uani 1 1 d . U . . .
O2 O 0.9523(9) 0.9008(8) 0.1714(8) 0.0414(18) Uani 1 1 d . U . . .
O3 O 0.8193(7) 0.8128(6) 0.3166(6) 0.0179(15) Uani 1 1 d . U . . .
O4 O 0.5500(7) 0.9077(6) 0.5595(6) 0.020(2) Uani 1 1 d . U . . .
O5 O 0.8362(8) 1.0963(6) 0.2519(7) 0.026(2) Uani 1 1 d . U . . .
O6 O 1.0485(7) 0.7399(7) 0.2662(7) 0.0221(18) Uani 1 1 d . U . . .
O7 O 0.9386(8) 0.6333(6) 0.2309(7) 0.0224(18) Uani 1 1 d . U . . .
O8 O 0.7959(7) 0.8317(6) 0.4908(7) 0.0188(17) Uani 1 1 d . U . . .
O9 O 0.9133(7) 0.6502(6) 0.4111(7) 0.0194(17) Uani 1 1 d . U . . .
O10 O 0.5912(7) 0.8947(7) 0.3625(6) 0.0195(17) Uani 1 1 d . U . . .
O11 O 0.7187(8) 0.9768(7) 0.2259(7) 0.0235(17) Uani 1 1 d . U . . .
O12 O 0.8489(8) 0.7952(7) 0.1356(7) 0.0230(18) Uani 1 1 d . U . . .
O13 O 0.8139(8) 0.5230(7) 0.3790(8) 0.029(2) Uani 1 1 d . U . . .
O14 O 1.0929(8) 0.7146(7) 0.0685(7) 0.030(2) Uani 1 1 d . U . . .
O15 O 0.6875(7) 0.7247(7) 0.4557(7) 0.0217(18) Uani 1 1 d . U . . .
O16 O 1.0376(8) 0.7464(7) 0.4572(7) 0.026(2) Uani 1 1 d . U . . .
O17 O 0.9279(7) 0.9172(6) 0.3533(7) 0.0206(18) Uani 1 1 d . U . . .
O18 O 0.6080(8) 0.8706(8) 0.1722(7) 0.028(2) Uani 1 1 d . U . . .
O19 O 0.7116(7) 0.7084(7) 0.2821(7) 0.0244(18) Uani 1 1 d . U . . .
O20 O 0.6336(11) 1.4560(10) 0.4542(11) 0.068(4) Uani 1 1 d . U . . .
O21 O 0.5969(9) 1.1415(10) 0.7685(9) 0.055(3) Uani 1 1 d . U . . .
O22 O 0.4802(9) 1.3376(11) 0.6580(9) 0.057(3) Uani 1 1 d . U . . .
O23 O 0.4934(9) 1.3307(9) 0.4403(8) 0.042(3) Uani 1 1 d . U . . .
O24 O 0.7467(10) 0.9076(8) 0.6554(8) 0.043(3) Uani 1 1 d . U . . .
O25 O 0.8766(9) 1.0307(9) 0.7092(9) 0.047(3) Uani 1 1 d . U . . .
O26 O 0.8996(9) 1.0349(8) 0.4851(8) 0.037(2) Uani 1 1 d . U . . .
O27 O 0.7520(9) 1.2437(8) 0.5978(8) 0.040(2) Uani 1 1 d . U . . .
O28 O 0.6225(8) 1.1180(8) 0.5479(7) 0.031(2) Uani 1 1 d . U . . .
O29 O 0.8016(10) 1.2057(10) 0.3895(9) 0.053(3) Uani 1 1 d . U . . .
O2W O 1.0963(9) 0.1797(8) 0.2644(8) 0.0386(16) Uani 1 1 d . . . . .
O3W O 0.9188(9) 0.3202(8) 0.3837(8) 0.0414(18) Uani 1 1 d . . . . .
O5W O 0.8448(19) 1.7156(16) -0.1187(19) 0.137(9) Uani 1 1 d . . . . .
O4W O 1.0938(19) 1.4779(16) 0.1264(17) 0.132(8) Uani 1 1 d . U . . .
O6W O 0.654(3) 1.759(2) 0.0292(18) 0.192(13) Uani 1 1 d . . . . .
C13 C 1.2824(19) 0.995(2) 0.0499(18) 0.096(8) Uani 1 1 d D U . . .
H13A H 1.3331 0.9275 0.0398 0.144 Uiso 1 1 d R U . . .
H13B H 1.3105 1.0370 -0.0007 0.144 Uiso 1 1 d R U . . .
H13C H 1.2757 1.0167 0.1065 0.144 Uiso 1 1 d R U . . .
C12 C 0.684(2) 0.497(2) 0.704(2) 0.121(11) Uani 1 1 d . U . . .
H12A H 0.6503 0.5315 0.7606 0.182 Uiso 1 1 d R U . . .
H12B H 0.6334 0.5206 0.6709 0.182 Uiso 1 1 d R U . . .
H12C H 0.7009 0.4272 0.7164 0.182 Uiso 1 1 d R U . . .
C11 C 1.207(2) 1.6508(18) -0.1889(18) 0.087(4) Uani 1 1 d . U . . .
H11A H 1.1563 1.7183 -0.1812 0.130 Uiso 1 1 d R U . . .
H11B H 1.2616 1.6412 -0.1626 0.130 Uiso 1 1 d R U . . .
H11C H 1.2437 1.6371 -0.2536 0.130 Uiso 1 1 d R U . . .
C10 C 0.419(2) 1.2189(16) 0.1482(17) 0.079(4) Uani 1 1 d . U . . .
H10A H 0.4229 1.2844 0.1292 0.119 Uiso 1 1 d R U . . .
H10B H 0.4519 1.1791 0.0948 0.119 Uiso 1 1 d R U . . .
H10C H 0.3429 1.2232 0.1802 0.119 Uiso 1 1 d R U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O18 1.786(10) . ?
Ta1 O19 1.916(10) . ?
Ta1 O12 1.928(9) . ?
Ta1 O11 2.068(9) . ?
Ta1 O10 2.099(9) . ?
Ta1 O3 2.379(9) . ?
Ta1 Cu2 3.094(2) . ?
Ta1 Ta3 3.3218(8) . ?
Ta1 Ta6 3.3249(8) . ?
Ta2 O4 1.809(9) . ?
Ta2 O8 1.916(9) . ?
Ta2 O15 1.920(9) . ?
Ta2 O10 2.054(10) . ?
Ta2 O1 2.069(11) . ?
Ta2 O3 2.326(8) . ?
Ta2 Cu2 3.086(2) . ?
Ta2 Ta4 3.3174(8) . ?
Ta2 Ta6 3.3230(7) . ?
Ta3 O14 1.794(9) . ?
Ta3 O6 1.975(10) . ?
Ta3 O12 1.984(10) . ?
Ta3 O7 2.000(9) . ?
Ta3 O2 2.006(11) . ?
Ta3 O3 2.423(8) . ?
Ta3 Ta5 3.3022(7) . ?
Ta3 Ta4 3.3568(9) . ?
Ta4 O16 1.798(10) . ?
Ta4 O9 1.965(8) . ?
Ta4 O6 1.976(9) . ?
Ta4 O8 1.985(9) . ?
Ta4 O17 2.021(9) . ?
Ta4 O3 2.379(9) . ?
Ta4 Ta5 3.3282(8) . ?
Ta4 Ta6 3.3400(8) . ?
Ta5 O5 1.782(9) . ?
Ta5 O2 1.895(11) . ?
Ta5 O17 1.956(10) . ?
Ta5 O11 2.066(10) . ?
Ta5 O1 2.077(11) . ?
Ta5 O3 2.363(8) . ?
Ta5 Cu2 3.079(2) . ?
Ta6 O13 1.780(9) . ?
Ta6 O7 1.946(10) . ?
Ta6 O9 1.957(9) . ?
Ta6 O15 2.004(9) . ?
Ta6 O19 2.005(10) . ?
Ta6 O3 2.394(8) . ?
Cu1 N6 1.961(16) 2_785 ?
Cu1 N6 1.961(16) . ?
Cu1 N5 2.000(17) 2_785 ?
Cu1 N5 2.000(17) . ?
Cu2 O4 1.930(9) 2_676 ?
Cu2 O11 1.992(9) . ?
Cu2 O1 2.006(12) . ?
Cu2 O10 2.025(9) . ?
Cu2 N3 2.054(13) . ?
Cu2 N4 2.081(13) . ?
Cu3 N8 1.965(14) . ?
Cu3 N8 1.966(14) 2_775 ?
Cu3 N7 2.050(17) 2_775 ?
Cu3 N7 2.050(17) . ?
Cu4 N1 1.973(15) 2_766 ?
Cu4 N1 1.973(15) . ?
Cu4 N2 1.974(15) 2_766 ?
Cu4 N2 1.974(15) . ?
Na1 O29 2.383(13) . ?
Na1 O23 2.388(14) . ?
Na1 O28 2.412(12) . ?
Na1 O22 2.432(14) . ?
Na1 O27 2.442(14) . ?
Na1 O20 2.512(14) . ?
Na1 Na2 3.487(10) . ?
Na2 O24 2.356(13) . ?
Na2 O28 2.372(12) . ?
Na2 O26 2.379(12) . ?
Na2 O21 2.395(12) . ?
Na2 O25 2.444(13) . ?
Na2 O27 2.478(13) . ?
C1 N3 1.44(3) . ?
C1 C2 1.48(2) . ?
C2 C10 1.31(3) . ?
C2 N4 1.46(2) . ?
C3 C7 1.43(3) . ?
C3 C12 1.44(3) . ?
C3 N1 1.52(3) . ?
C4 C5 1.47(3) . ?
C4 N7 1.49(3) 2_775 ?
C4 C13 1.50(3) . ?
C5 N8 1.50(3) . ?
C7 N2 1.44(3) . ?
C8 C9 1.41(3) . ?
C8 N6 1.49(3) . ?
C9 N5 1.41(2) . ?
C9 C11 1.49(3) . ?
N7 C4 1.49(3) 2_775 ?
O4 Cu2 1.930(9) 2_676 ?

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
O18 Ta1 O19 104.6(4) . . ?
O18 Ta1 O12 104.4(4) . . ?
O19 Ta1 O12 93.5(4) . . ?
O18 Ta1 O11 100.4(4) . . ?
O19 Ta1 O11 153.2(4) . . ?
O12 Ta1 O11 89.6(4) . . ?
O18 Ta1 O10 100.4(4) . . ?
O19 Ta1 O10 88.3(4) . . ?
O12 Ta1 O10 153.8(4) . . ?
O11 Ta1 O10 77.7(4) . . ?
O18 Ta1 O3 174.9(4) . . ?
O19 Ta1 O3 78.6(4) . . ?
O12 Ta1 O3 79.1(4) . . ?
O11 Ta1 O3 75.8(3) . . ?
O10 Ta1 O3 75.6(3) . . ?
O18 Ta1 Cu2 93.2(3) . . ?
O19 Ta1 Cu2 128.4(3) . . ?
O12 Ta1 Cu2 128.7(3) . . ?
O11 Ta1 Cu2 39.4(3) . . ?
O10 Ta1 Cu2 40.5(2) . . ?
O3 Ta1 Cu2 81.73(19) . . ?
O18 Ta1 Ta3 136.8(3) . . ?
O19 Ta1 Ta3 84.7(3) . . ?
O12 Ta1 Ta3 32.4(3) . . ?
O11 Ta1 Ta3 83.7(3) . . ?
O10 Ta1 Ta3 122.2(2) . . ?
O3 Ta1 Ta3 46.8(2) . . ?
Cu2 Ta1 Ta3 114.04(4) . . ?
O18 Ta1 Ta6 137.4(3) . . ?
O19 Ta1 Ta6 32.8(3) . . ?
O12 Ta1 Ta6 83.3(3) . . ?
O11 Ta1 Ta6 121.8(3) . . ?
O10 Ta1 Ta6 84.2(2) . . ?
O3 Ta1 Ta6 46.0(2) . . ?
Cu2 Ta1 Ta6 114.76(4) . . ?
Ta3 Ta1 Ta6 60.852(17) . . ?
O4 Ta2 O8 104.3(4) . . ?
O4 Ta2 O15 103.7(4) . . ?
O8 Ta2 O15 93.3(4) . . ?
O4 Ta2 O10 99.6(4) . . ?
O8 Ta2 O10 154.5(4) . . ?
O15 Ta2 O10 89.4(4) . . ?
O4 Ta2 O1 100.4(4) . . ?
O8 Ta2 O1 88.5(4) . . ?
O15 Ta2 O1 154.6(4) . . ?
O10 Ta2 O1 78.7(4) . . ?
O4 Ta2 O3 176.3(4) . . ?
O8 Ta2 O3 78.0(3) . . ?
O15 Ta2 O3 78.9(3) . . ?
O10 Ta2 O3 77.7(3) . . ?
O1 Ta2 O3 76.7(4) . . ?
O4 Ta2 Cu2 93.6(3) . . ?
O8 Ta2 Cu2 128.2(3) . . ?
O15 Ta2 Cu2 129.4(3) . . ?
O10 Ta2 Cu2 40.5(3) . . ?
O1 Ta2 Cu2 40.0(3) . . ?
O3 Ta2 Cu2 82.7(2) . . ?
O4 Ta2 Ta4 136.6(3) . . ?
O8 Ta2 Ta4 32.4(3) . . ?
O15 Ta2 Ta4 83.6(3) . . ?
O10 Ta2 Ta4 123.4(2) . . ?
O1 Ta2 Ta4 84.5(3) . . ?
O3 Ta2 Ta4 45.8(2) . . ?
Cu2 Ta2 Ta4 114.81(4) . . ?
O4 Ta2 Ta6 136.6(3) . . ?
O8 Ta2 Ta6 83.7(2) . . ?
O15 Ta2 Ta6 32.9(3) . . ?
O10 Ta2 Ta6 84.9(2) . . ?
O1 Ta2 Ta6 122.7(3) . . ?
O3 Ta2 Ta6 46.1(2) . . ?
Cu2 Ta2 Ta6 115.05(4) . . ?
Ta4 Ta2 Ta6 60.395(16) . . ?
O14 Ta3 O6 104.9(4) . . ?
O14 Ta3 O12 101.2(4) . . ?
O6 Ta3 O12 153.8(4) . . ?
O14 Ta3 O7 104.4(4) . . ?
O6 Ta3 O7 89.6(4) . . ?
O12 Ta3 O7 85.8(4) . . ?
O14 Ta3 O2 102.5(4) . . ?
O6 Ta3 O2 86.6(4) . . ?
O12 Ta3 O2 85.9(4) . . ?
O7 Ta3 O2 152.9(4) . . ?
O14 Ta3 O3 178.0(4) . . ?
O6 Ta3 O3 76.9(3) . . ?
O12 Ta3 O3 77.0(3) . . ?
O7 Ta3 O3 76.3(3) . . ?
O2 Ta3 O3 76.7(4) . . ?
O14 Ta3 Ta5 133.6(3) . . ?
O6 Ta3 Ta5 78.8(3) . . ?
O12 Ta3 Ta5 81.8(3) . . ?
O7 Ta3 Ta5 121.9(3) . . ?
O2 Ta3 Ta5 31.2(3) . . ?
O3 Ta3 Ta5 45.61(19) . . ?
O14 Ta3 Ta1 132.5(4) . . ?
O6 Ta3 Ta1 122.6(2) . . ?
O12 Ta3 Ta1 31.4(3) . . ?
O7 Ta3 Ta1 77.9(3) . . ?
O2 Ta3 Ta1 81.6(3) . . ?
O3 Ta3 Ta1 45.7(2) . . ?
Ta5 Ta3 Ta1 62.815(16) . . ?
O14 Ta3 Ta4 136.7(4) . . ?
O6 Ta3 Ta4 31.8(2) . . ?
O12 Ta3 Ta4 122.1(3) . . ?
O7 Ta3 Ta4 80.9(3) . . ?
O2 Ta3 Ta4 81.8(4) . . ?
O3 Ta3 Ta4 45.1(2) . . ?
Ta5 Ta3 Ta4 59.968(16) . . ?
Ta1 Ta3 Ta4 90.757(19) . . ?
O16 Ta4 O9 103.0(4) . . ?
O16 Ta4 O6 103.9(4) . . ?
O9 Ta4 O6 90.4(4) . . ?
O16 Ta4 O8 102.6(4) . . ?
O9 Ta4 O8 87.7(3) . . ?
O6 Ta4 O8 153.1(4) . . ?
O16 Ta4 O17 102.0(4) . . ?
O9 Ta4 O17 154.8(4) . . ?
O6 Ta4 O17 86.4(4) . . ?
O8 Ta4 O17 84.1(4) . . ?
O16 Ta4 O3 178.1(4) . . ?
O9 Ta4 O3 77.2(3) . . ?
O6 Ta4 O3 78.0(3) . . ?
O8 Ta4 O3 75.4(3) . . ?
O17 Ta4 O3 77.6(3) . . ?
O16 Ta4 Ta2 133.6(3) . . ?
O9 Ta4 Ta2 78.9(2) . . ?
O6 Ta4 Ta2 122.5(3) . . ?
O8 Ta4 Ta2 31.1(3) . . ?
O17 Ta4 Ta2 81.8(2) . . ?
O3 Ta4 Ta2 44.5(2) . . ?
O16 Ta4 Ta5 134.5(3) . . ?
O9 Ta4 Ta5 122.4(3) . . ?
O6 Ta4 Ta5 78.2(3) . . ?
O8 Ta4 Ta5 80.3(3) . . ?
O17 Ta4 Ta5 32.6(3) . . ?
O3 Ta4 Ta5 45.2(2) . . ?
Ta2 Ta4 Ta5 62.422(16) . . ?
O16 Ta4 Ta6 134.5(3) . . ?
O9 Ta4 Ta6 31.5(3) . . ?
O6 Ta4 Ta6 82.2(3) . . ?
O8 Ta4 Ta6 82.3(2) . . ?
O17 Ta4 Ta6 123.4(3) . . ?
O3 Ta4 Ta6 45.8(2) . . ?
Ta2 Ta4 Ta6 59.884(16) . . ?
Ta5 Ta4 Ta6 90.93(2) . . ?
O16 Ta4 Ta3 135.7(3) . . ?
O9 Ta4 Ta3 82.0(3) . . ?
O6 Ta4 Ta3 31.8(3) . . ?
O8 Ta4 Ta3 121.6(3) . . ?
O17 Ta4 Ta3 82.2(3) . . ?
O3 Ta4 Ta3 46.2(2) . . ?
Ta2 Ta4 Ta3 90.675(19) . . ?
Ta5 Ta4 Ta3 59.202(17) . . ?
Ta6 Ta4 Ta3 60.348(17) . . ?
O5 Ta5 O2 104.6(5) . . ?
O5 Ta5 O17 103.0(4) . . ?
O2 Ta5 O17 93.1(5) . . ?
O5 Ta5 O11 100.8(4) . . ?
O2 Ta5 O11 90.1(5) . . ?
O17 Ta5 O11 154.4(4) . . ?
O5 Ta5 O1 99.2(4) . . ?
O2 Ta5 O1 155.0(4) . . ?
O17 Ta5 O1 89.2(4) . . ?
O11 Ta5 O1 77.6(4) . . ?
O5 Ta5 O3 174.4(4) . . ?
O2 Ta5 O3 80.3(4) . . ?
O17 Ta5 O3 79.2(3) . . ?
O11 Ta5 O3 76.2(3) . . ?
O1 Ta5 O3 75.7(4) . . ?
O5 Ta5 Cu2 92.4(3) . . ?
O2 Ta5 Cu2 129.6(4) . . ?
O17 Ta5 Cu2 129.2(3) . . ?
O11 Ta5 Cu2 39.7(3) . . ?
O1 Ta5 Cu2 40.2(3) . . ?
O3 Ta5 Cu2 82.3(2) . . ?
O5 Ta5 Ta3 137.8(3) . . ?
O2 Ta5 Ta3 33.2(3) . . ?
O17 Ta5 Ta3 84.6(2) . . ?
O11 Ta5 Ta3 84.3(2) . . ?
O1 Ta5 Ta3 122.7(3) . . ?
O3 Ta5 Ta3 47.1(2) . . ?
Cu2 Ta5 Ta3 115.02(4) . . ?
O5 Ta5 Ta4 136.8(3) . . ?
O2 Ta5 Ta4 84.1(4) . . ?
O17 Ta5 Ta4 33.8(2) . . ?
O11 Ta5 Ta4 121.7(3) . . ?
O1 Ta5 Ta4 84.1(3) . . ?
O3 Ta5 Ta4 45.6(2) . . ?
Cu2 Ta5 Ta4 114.69(4) . . ?
Ta3 Ta5 Ta4 60.830(17) . . ?
O13 Ta6 O7 103.3(4) . . ?
O13 Ta6 O9 102.0(4) . . ?
O7 Ta6 O9 90.3(4) . . ?
O13 Ta6 O15 103.1(4) . . ?
O7 Ta6 O15 153.4(4) . . ?
O9 Ta6 O15 87.0(4) . . ?
O13 Ta6 O19 104.3(4) . . ?
O7 Ta6 O19 87.3(4) . . ?
O9 Ta6 O19 153.4(4) . . ?
O15 Ta6 O19 83.5(4) . . ?
O13 Ta6 O3 178.4(4) . . ?
O7 Ta6 O3 77.9(3) . . ?
O9 Ta6 O3 77.0(3) . . ?
O15 Ta6 O3 75.7(3) . . ?
O19 Ta6 O3 76.6(3) . . ?
O13 Ta6 Ta2 134.3(3) . . ?
O7 Ta6 Ta2 122.3(3) . . ?
O9 Ta6 Ta2 78.9(2) . . ?
O15 Ta6 Ta2 31.4(3) . . ?
O19 Ta6 Ta2 80.1(3) . . ?
O3 Ta6 Ta2 44.4(2) . . ?
O13 Ta6 Ta1 135.4(3) . . ?
O7 Ta6 Ta1 78.5(3) . . ?
O9 Ta6 Ta1 122.6(3) . . ?
O15 Ta6 Ta1 80.8(3) . . ?
O19 Ta6 Ta1 31.2(3) . . ?
O3 Ta6 Ta1 45.7(2) . . ?
Ta2 Ta6 Ta1 62.326(17) . . ?
O13 Ta6 Ta4 133.6(3) . . ?
O7 Ta6 Ta4 82.1(3) . . ?
O9 Ta6 Ta4 31.7(3) . . ?
O15 Ta6 Ta4 81.8(3) . . ?
O19 Ta6 Ta4 122.0(3) . . ?
O3 Ta6 Ta4 45.4(2) . . ?
Ta2 Ta6 Ta4 59.721(16) . . ?
Ta1 Ta6 Ta4 90.998(19) . . ?
N6 Cu1 N6 180.0 2_785 . ?
N6 Cu1 N5 85.8(7) 2_785 2_785 ?
N6 Cu1 N5 94.2(7) . 2_785 ?
N6 Cu1 N5 94.2(7) 2_785 . ?
N6 Cu1 N5 85.8(7) . . ?
N5 Cu1 N5 180.0(11) 2_785 . ?
O4 Cu2 O11 177.2(4) 2_676 . ?
O4 Cu2 O1 97.6(4) 2_676 . ?
O11 Cu2 O1 81.0(4) . . ?
O4 Cu2 O10 96.2(4) 2_676 . ?
O11 Cu2 O10 81.2(4) . . ?
O1 Cu2 O10 80.8(4) . . ?
O4 Cu2 N3 91.0(5) 2_676 . ?
O11 Cu2 N3 91.6(5) . . ?
O1 Cu2 N3 96.5(5) . . ?
O10 Cu2 N3 172.6(4) . . ?
O4 Cu2 N4 92.0(4) 2_676 . ?
O11 Cu2 N4 89.3(4) . . ?
O1 Cu2 N4 170.3(5) . . ?
O10 Cu2 N4 98.3(5) . . ?
N3 Cu2 N4 83.2(6) . . ?
O4 Cu2 Ta5 137.8(3) 2_676 . ?
O11 Cu2 Ta5 41.6(3) . . ?
O1 Cu2 Ta5 41.9(3) . . ?
O10 Cu2 Ta5 89.2(2) . . ?
N3 Cu2 Ta5 84.2(4) . . ?
N4 Cu2 Ta5 128.6(3) . . ?
O4 Cu2 Ta2 89.3(3) 2_676 . ?
O11 Cu2 Ta2 88.1(3) . . ?
O1 Cu2 Ta2 41.6(3) . . ?
O10 Cu2 Ta2 41.2(3) . . ?
N3 Cu2 Ta2 137.6(4) . . ?
N4 Cu2 Ta2 139.2(4) . . ?
Ta5 Cu2 Ta2 67.92(4) . . ?
O4 Cu2 Ta1 136.5(3) 2_676 . ?
O11 Cu2 Ta1 41.3(3) . . ?
O1 Cu2 Ta1 88.8(3) . . ?
O10 Cu2 Ta1 42.3(3) . . ?
N3 Cu2 Ta1 131.1(4) . . ?
N4 Cu2 Ta1 84.2(3) . . ?
Ta5 Cu2 Ta1 68.00(4) . . ?
Ta2 Cu2 Ta1 67.65(4) . . ?
N8 Cu3 N8 180.0(10) . 2_775 ?
N8 Cu3 N7 85.3(7) . 2_775 ?
N8 Cu3 N7 94.7(7) 2_775 2_775 ?
N8 Cu3 N7 94.7(7) . . ?
N8 Cu3 N7 85.3(7) 2_775 . ?
N7 Cu3 N7 180.0 2_775 . ?
N1 Cu4 N1 180.0 2_766 . ?
N1 Cu4 N2 84.5(7) 2_766 2_766 ?
N1 Cu4 N2 95.5(7) . 2_766 ?
N1 Cu4 N2 95.5(7) 2_766 . ?
N1 Cu4 N2 84.5(7) . . ?
N2 Cu4 N2 180.0 2_766 . ?
O29 Na1 O23 103.9(5) . . ?
O29 Na1 O28 84.3(4) . . ?
O23 Na1 O28 92.3(4) . . ?
O29 Na1 O22 165.5(6) . . ?
O23 Na1 O22 89.2(5) . . ?
O28 Na1 O22 89.2(5) . . ?
O29 Na1 O27 82.6(5) . . ?
O23 Na1 O27 173.4(5) . . ?
O28 Na1 O27 88.0(4) . . ?
O22 Na1 O27 84.3(5) . . ?
O29 Na1 O20 93.4(5) . . ?
O23 Na1 O20 82.1(5) . . ?
O28 Na1 O20 173.3(6) . . ?
O22 Na1 O20 94.4(5) . . ?
O27 Na1 O20 97.9(5) . . ?
O29 Na1 Na2 79.4(4) . . ?
O23 Na1 Na2 134.9(4) . . ?
O28 Na1 Na2 42.8(3) . . ?
O22 Na1 Na2 87.0(4) . . ?
O27 Na1 Na2 45.3(3) . . ?
O20 Na1 Na2 143.0(4) . . ?
O24 Na2 O28 92.5(4) . . ?
O24 Na2 O26 93.0(4) . . ?
O28 Na2 O26 89.0(4) . . ?
O24 Na2 O21 98.3(5) . . ?
O28 Na2 O21 91.8(4) . . ?
O26 Na2 O21 168.6(5) . . ?
O24 Na2 O25 89.6(5) . . ?
O28 Na2 O25 177.7(5) . . ?
O26 Na2 O25 90.1(4) . . ?
O21 Na2 O25 88.7(5) . . ?
O24 Na2 O27 178.4(5) . . ?
O28 Na2 O27 88.1(4) . . ?
O26 Na2 O27 85.5(4) . . ?
O21 Na2 O27 83.2(5) . . ?
O25 Na2 O27 89.8(4) . . ?
O24 Na2 Na1 136.1(4) . . ?
O28 Na2 Na1 43.7(3) . . ?
O26 Na2 Na1 84.7(4) . . ?
O21 Na2 Na1 88.0(4) . . ?
O25 Na2 Na1 134.2(4) . . ?
O27 Na2 Na1 44.4(3) . . ?
N3 C1 C2 122.9(19) . . ?
C10 C2 N4 130(2) . . ?
C10 C2 C1 121(2) . . ?
N4 C2 C1 108.9(18) . . ?
C7 C3 C12 128(2) . . ?
C7 C3 N1 112.0(19) . . ?
C12 C3 N1 119(2) . . ?
C5 C4 N7 109.3(18) . 2_775 ?
C5 C4 C13 109(2) . . ?
N7 C4 C13 118(2) 2_775 . ?
C4 C5 N8 111.7(18) . . ?
C3 C7 N2 116(2) . . ?
C9 C8 N6 111(2) . . ?
C8 C9 N5 117(2) . . ?
C8 C9 C11 121(2) . . ?
N5 C9 C11 113(2) . . ?
C3 N1 Cu4 112.3(13) . . ?
C7 N2 Cu4 113.7(14) . . ?
C1 N3 Cu2 109.3(12) . . ?
C2 N4 Cu2 115.1(12) . . ?
C9 N5 Cu1 107.8(14) . . ?
C8 N6 Cu1 109.9(13) . . ?
C4 N7 Cu3 105.2(12) 2_775 . ?
C5 N8 Cu3 110.6(12) . . ?
Cu2 O1 Ta2 98.4(5) . . ?
Cu2 O1 Ta5 97.9(5) . . ?
Ta2 O1 Ta5 112.3(5) . . ?
Ta5 O2 Ta3 115.6(6) . . ?
Ta2 O3 Ta5 94.5(3) . . ?
Ta2 O3 Ta1 94.0(3) . . ?
Ta5 O3 Ta1 93.4(3) . . ?
Ta2 O3 Ta4 89.7(3) . . ?
Ta5 O3 Ta4 89.2(3) . . ?
Ta1 O3 Ta4 175.3(4) . . ?
Ta2 O3 Ta6 89.5(3) . . ?
Ta5 O3 Ta6 175.5(4) . . ?
Ta1 O3 Ta6 88.3(3) . . ?
Ta4 O3 Ta6 88.8(3) . . ?
Ta2 O3 Ta3 177.6(4) . . ?
Ta5 O3 Ta3 87.3(3) . . ?
Ta1 O3 Ta3 87.5(3) . . ?
Ta4 O3 Ta3 88.7(3) . . ?
Ta6 O3 Ta3 88.7(3) . . ?
Ta2 O4 Cu2 177.1(6) . 2_676 ?
Ta3 O6 Ta4 116.3(4) . . ?
Ta6 O7 Ta3 117.0(4) . . ?
Ta2 O8 Ta4 116.5(5) . . ?
Ta6 O9 Ta4 116.8(5) . . ?
Cu2 O10 Ta2 98.3(4) . . ?
Cu2 O10 Ta1 97.2(4) . . ?
Ta2 O10 Ta1 111.9(4) . . ?
Cu2 O11 Ta5 98.7(4) . . ?
Cu2 O11 Ta1 99.3(4) . . ?
Ta5 O11 Ta1 113.3(4) . . ?
Ta1 O12 Ta3 116.2(5) . . ?
Ta2 O15 Ta6 115.8(4) . . ?
Ta5 O17 Ta4 113.6(4) . . ?
Ta1 O19 Ta6 116.0(4) . . ?
Na1 O27 Na2 90.3(4) . . ?
Na2 O28 Na1 93.6(4) . . ?

_refine_diff_density_max         2.744
_refine_diff_density_min         -3.364
_refine_diff_density_rms         0.322

_shelxl_version_number           2014-3

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.532 0.000 530.2 33.8
_platon_squeeze_details          
; ?
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_A_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1866078'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H60 Cu4 N12 Na4 O61 Ta12'
_chemical_formula_weight         3938.30

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'
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'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9552(16)
_cell_length_b                   15.3682(19)
_cell_length_c                   16.483(2)
_cell_angle_alpha                65.831(2)
_cell_angle_beta                 84.959(2)
_cell_angle_gamma                66.770(2)
_cell_volume                     2740.7(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3531
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      24.97

_exptl_crystal_description       slice
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_F_000             1716
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    12.771
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.5545
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15629
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.580
_diffrn_reflns_theta_max         24.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.848
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.848
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.848
_reflns_number_total             8423
_reflns_number_gt                5579
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0847P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8423
_refine_ls_number_parameters     487
_refine_ls_number_restraints     377
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.1483
_refine_ls_wR_factor_gt          0.1366
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.143
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 1.13764(5) -0.62401(5) -0.04191(4) 0.01858(18) Uani 1 1 d . U . . .
Ta2 Ta 1.20007(5) -0.80971(5) -0.11392(5) 0.02297(19) Uani 1 1 d . U . . .
Ta3 Ta 1.00645(5) -0.57752(5) -0.23700(5) 0.02091(18) Uani 1 1 d . U . . .
Ta4 Ta 1.19460(5) -0.46770(5) -0.24586(5) 0.02192(19) Uani 1 1 d . U . . .
Ta5 Ta 1.38405(5) -0.70292(5) -0.12324(5) 0.02304(19) Uani 1 1 d . U . . .
Ta6 Ta 1.25694(6) -0.66087(6) -0.31098(5) 0.0276(2) Uani 1 1 d . U . . .
Cu1 Cu 0.9659(2) -0.41090(19) -0.16600(17) 0.0453(6) Uani 1 1 d . U . . .
Cu2 Cu 1.5000 -1.0000 0.0000 0.0314(7) Uani 1 2 d DS U P . .
Cu3 Cu 2.0000 -0.5000 -0.5000 0.0456(9) Uani 1 2 d DS U P . .
Na1 Na 1.1638(6) -0.2262(6) -0.0696(6) 0.0508(19) Uani 1 1 d . U . . .
Na2 Na 1.3728(5) -0.4737(6) 0.0511(5) 0.0462(17) Uani 1 1 d . U . . .
C1 C 0.768(3) -0.232(3) -0.266(2) 0.113(5) Uani 1 1 d D U . . .
H1A H 0.7414 -0.2140 -0.2171 0.136 Uiso 1 1 d R U . . .
C2 C 0.845(2) -0.192(2) -0.291(2) 0.100(4) Uani 1 1 d D U . . .
H2A H 0.8183 -0.1229 -0.2949 0.120 Uiso 1 1 d R U . . .
H2B H 0.8614 -0.1898 -0.3501 0.120 Uiso 1 1 d R U . . .
C3 C 1.467(2) -0.952(2) 0.1497(17) 0.087(4) Uani 1 1 d D U . . .
H3A H 1.5111 -0.9794 0.2049 0.104 Uiso 1 1 d R U . . .
H3B H 1.4142 -0.8832 0.1394 0.104 Uiso 1 1 d R U . . .
C4 C 1.407(2) -1.012(2) 0.1625(15) 0.088(6) Uani 1 1 d D U . . .
H4A H 1.4717 -1.0758 0.1881 0.105 Uiso 1 1 d DR U . . .
C5 C 1.986(3) -0.689(3) -0.469(3) 0.124(8) Uani 1 1 d D U . . .
H5A H 2.0163 -0.7288 -0.4077 0.149 Uiso 1 1 d R U . . .
C6 C 2.089(2) -0.696(3) -0.507(2) 0.119(7) Uani 1 1 d D U . . .
H6A H 2.0846 -0.7006 -0.5627 0.143 Uiso 1 1 d R U . . .
H6B H 2.1503 -0.7578 -0.4696 0.143 Uiso 1 1 d R U . . .
N1 N 0.9487(13) -0.2585(11) -0.2321(11) 0.046(4) Uani 1 1 d . U . . .
H1B H 1.0089 -0.2565 -0.2633 0.055 Uiso 1 1 d R U . . .
H1C H 0.9477 -0.2331 -0.1915 0.055 Uiso 1 1 d R U . . .
N2 N 0.8043(11) -0.3455(13) -0.2256(11) 0.043(3) Uani 1 1 d . U . . .
H2C H 0.7579 -0.3654 -0.1849 0.052 Uiso 1 1 d R U . . .
H2D H 0.8031 -0.3662 -0.2692 0.052 Uiso 1 1 d R U . . .
N3 N 1.3901(12) -1.0317(13) 0.0908(10) 0.050(4) Uani 1 1 d D U . . .
H3C H 1.4002 -1.0985 0.1090 0.061 Uiso 1 1 d DR U . . .
H3D H 1.3189 -0.9916 0.0658 0.061 Uiso 1 1 d R U . . .
N4 N 1.5386(13) -0.9475(12) 0.0816(11) 0.046(4) Uani 1 1 d D U . . .
H4B H 1.5309 -0.8812 0.0507 0.055 Uiso 1 1 d R U . . .
H4C H 1.6108 -0.9860 0.1047 0.055 Uiso 1 1 d R U . . .
N6 N 1.9098(18) -0.5947(17) -0.4641(18) 0.102(6) Uani 1 1 d D U . . .
H6C H 1.8475 -0.5664 -0.5013 0.122 Uiso 1 1 d R U . . .
H6D H 1.8906 -0.6086 -0.4077 0.122 Uiso 1 1 d R U . . .
O1 O 1.3048(9) -0.6780(10) -0.4102(9) 0.040(3) Uani 1 1 d . U . . .
O2 O 1.5290(8) -0.7520(9) -0.0816(9) 0.036(3) Uani 1 1 d . U . . .
O3 O 1.2459(9) -0.7944(9) -0.2338(8) 0.029(2) Uani 1 1 d . U . . .
O4 O 1.2058(9) -0.9401(8) -0.0617(8) 0.033(3) Uani 1 1 d . U . . .
O5 O 0.8602(9) -0.5219(9) -0.2791(8) 0.033(3) Uani 1 1 d . U . . .
O6 O 1.3971(8) -0.7060(8) -0.2402(8) 0.028(2) Uani 1 1 d . U . . .
O7 O 1.0403(8) -0.7231(8) -0.1695(7) 0.027(2) Uani 1 1 d . U . . .
O8 O 1.3445(8) -0.5491(8) -0.1840(8) 0.027(2) Uani 1 1 d . U . . .
O9 O 1.0903(8) -0.6114(8) 0.0598(7) 0.028(2) Uani 1 1 d . U . . .
O10 O 1.0869(9) -0.5961(9) -0.3356(8) 0.030(2) Uani 1 1 d . U . . .
O11 O 1.1856(9) -0.3344(8) -0.2939(8) 0.030(2) Uani 1 1 d . U . . .
O12 O 1.2976(8) -0.6718(8) -0.0238(7) 0.024(2) Uani 1 1 d . U . . .
O13 O 1.1921(8) -0.6374(8) -0.1779(7) 0.0228(17) Uani 1 1 d . U . . .
O14 O 1.3511(8) -0.8269(8) -0.0815(7) 0.023(2) Uani 1 1 d . U . . .
O15 O 1.2365(9) -0.5134(9) -0.3419(8) 0.030(2) Uani 1 1 d . U . . .
O16 O 1.1448(8) -0.7599(8) -0.0182(7) 0.0216(19) Uani 1 1 d . U . . .
O17 O 0.9877(8) -0.5601(8) -0.1168(7) 0.0222(18) Uani 1 1 d . U . . .
O18 O 1.1272(8) -0.4767(8) -0.1242(7) 0.0220(18) Uani 1 1 d . U . . .
O19 O 1.0292(8) -0.4416(8) -0.2694(7) 0.0236(19) Uani 1 1 d . U . . .
O20 O 1.3644(11) -0.2945(12) -0.0187(11) 0.059(3) Uani 1 1 d . U . . .
O21 O 0.9638(11) -0.1564(10) -0.1206(9) 0.051(3) Uani 1 1 d . U . . .
O22 O 1.4258(9) -0.4630(9) -0.0967(8) 0.037(3) Uani 1 1 d . U . . .
O23 O 1.1767(9) -0.4020(10) -0.0072(9) 0.041(3) Uani 1 1 d . U . . .
O24 O 1.2508(14) -0.2524(14) -0.1984(11) 0.078(4) Uani 1 1 d . U . . .
O25 O 1.1198(15) -0.0406(12) -0.1225(13) 0.084(5) Uani 1 1 d . U . . .
O26 O 1.2927(13) -0.4277(14) 0.1692(11) 0.073(4) Uani 1 1 d . U . . .
O27 O 1.3916(11) -0.6513(11) 0.1041(9) 0.053(3) Uani 1 1 d . U . . .
O28 O 1.1267(11) -0.2237(12) 0.0745(10) 0.060(3) Uani 1 1 d . U . . .
O3W O 1.1107(15) -1.0430(13) 0.0835(13) 0.089(6) Uani 1 1 d . . . . .
C7 C 0.669(2) -0.179(2) -0.3259(18) 0.087(4) Uani 1 1 d . U . . .
H7A H 0.6470 -0.1049 -0.3491 0.130 Uiso 1 1 d R U . . .
H7B H 0.6867 -0.2007 -0.3739 0.130 Uiso 1 1 d R U . . .
H7C H 0.6075 -0.1959 -0.2969 0.130 Uiso 1 1 d R U . . .
N5 N 2.1152(17) -0.6122(16) -0.5263(14) 0.078(5) Uani 1 1 d D U . . .
H5B H 2.1794 -0.6348 -0.4930 0.094 Uiso 1 1 d R U . . .
H5C H 2.1284 -0.5860 -0.5841 0.094 Uiso 1 1 d R U . . .
C8 C 1.954(2) -0.7577(17) -0.485(2) 0.113(5) Uani 1 1 d D U . . .
H8A H 2.0211 -0.8122 -0.4889 0.170 Uiso 1 1 d R U . . .
H8B H 1.9151 -0.7866 -0.4356 0.170 Uiso 1 1 d R U . . .
H8C H 1.9059 -0.7238 -0.5392 0.170 Uiso 1 1 d R U . . .
C9 C 1.354(2) -1.028(2) 0.2398(12) 0.100(4) Uani 1 1 d D U . . .
H9A H 1.3120 -1.0697 0.2479 0.150 Uiso 1 1 d R U . . .
H9B H 1.4121 -1.0625 0.2881 0.150 Uiso 1 1 d R U . . .
H9C H 1.3048 -0.9618 0.2388 0.150 Uiso 1 1 d R U . . .
O1W O 1.4368(7) -0.4715(7) -0.5881(6) 0.0167(16) Uani 1 1 d D U . . .
O2W O 1.5000 -0.5000 -0.5000 0.045(3) Uani 1 2 d DS U P . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O9 1.793(10) . ?
Ta1 O12 1.911(10) . ?
Ta1 O16 1.925(10) . ?
Ta1 O17 2.046(10) . ?
Ta1 O18 2.064(10) . ?
Ta1 O13 2.356(10) . ?
Ta1 Cu1 3.070(3) . ?
Ta1 Ta5 3.3141(9) . ?
Ta1 Ta2 3.3154(9) . ?
Ta2 O4 1.800(10) . ?
Ta2 O3 1.959(11) . ?
Ta2 O14 1.961(10) . ?
Ta2 O16 1.986(10) . ?
Ta2 O7 2.014(10) . ?
Ta2 O13 2.377(10) . ?
Ta2 Ta3 3.3237(10) . ?
Ta2 Ta6 3.3393(11) . ?
Ta2 Ta5 3.3486(9) . ?
Ta3 O5 1.808(11) . ?
Ta3 O10 1.913(11) . ?
Ta3 O7 1.926(11) . ?
Ta3 O19 2.068(10) . ?
Ta3 O17 2.086(10) . ?
Ta3 O13 2.347(10) . ?
Ta3 Cu1 3.080(2) . ?
Ta3 Ta6 3.3112(10) . ?
Ta4 O11 1.827(10) . ?
Ta4 O15 1.937(11) . ?
Ta4 O8 1.940(10) . ?
Ta4 O19 2.061(10) . ?
Ta4 O18 2.089(10) . ?
Ta4 O13 2.393(10) . ?
Ta4 Cu1 3.081(2) . ?
Ta4 Ta5 3.3266(10) . ?
Ta4 Ta6 3.3441(10) . ?
Ta5 O2 1.803(10) . ?
Ta5 O6 1.939(11) . ?
Ta5 O14 1.950(10) . ?
Ta5 O8 2.012(10) . ?
Ta5 O12 2.016(10) . ?
Ta5 O13 2.385(10) . ?
Ta5 Ta6 3.3352(11) . ?
Ta6 O1 1.782(11) . ?
Ta6 O6 1.963(10) . ?
Ta6 O3 1.978(11) . ?
Ta6 O15 2.017(11) . ?
Ta6 O10 2.026(10) . ?
Ta6 O13 2.394(10) . ?
Cu1 O9 1.946(10) 2_745 ?
Cu1 O18 1.971(10) . ?
Cu1 O19 1.977(10) . ?
Cu1 O17 2.001(10) . ?
Cu1 N2 2.061(13) . ?
Cu1 N1 2.065(14) . ?
Cu2 N4 2.010(14) . ?
Cu2 N4 2.010(14) 2_835 ?
Cu2 N3 2.020(14) . ?
Cu2 N3 2.020(14) 2_835 ?
Cu3 N5 1.965(18) . ?
Cu3 N5 1.965(18) 2_944 ?
Cu3 N6 2.085(19) . ?
Cu3 N6 2.085(19) 2_944 ?
Na1 O28 2.393(17) . ?
Na1 O23 2.405(14) . ?
Na1 O24 2.422(17) . ?
Na1 O25 2.447(16) . ?
Na1 O21 2.454(16) . ?
Na1 O20 2.464(16) . ?
Na1 Na2 3.520(11) . ?
Na2 O26 2.358(16) . ?
Na2 O27 2.416(15) . ?
Na2 O22 2.429(14) . ?
Na2 O23 2.439(13) . ?
Na2 O22 2.461(13) 2_845 ?
Na2 O20 2.471(16) . ?
Na2 Na2 3.520(13) 2_845 ?
C1 C2 1.32(3) . ?
C1 C7 1.43(4) . ?
C1 N2 1.47(3) . ?
C2 N1 1.46(3) . ?
C3 C4 1.36(3) . ?
C3 N4 1.39(2) . ?
C4 C9 1.369(16) . ?
C4 N3 1.39(2) . ?
C5 C8 1.398(17) . ?
C5 C6 1.41(3) . ?
C5 N6 1.42(3) . ?
C6 N5 1.36(3) . ?
O9 Cu1 1.946(10) 2_745 ?
O22 Na2 2.461(13) 2_845 ?
O1W O2W 1.542(9) . ?
O2W O1W 1.542(9) 2_844 ?

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
O9 Ta1 O12 103.0(5) . . ?
O9 Ta1 O16 101.8(5) . . ?
O12 Ta1 O16 93.0(4) . . ?
O9 Ta1 O17 101.3(4) . . ?
O12 Ta1 O17 154.7(4) . . ?
O16 Ta1 O17 89.1(4) . . ?
O9 Ta1 O18 102.6(4) . . ?
O12 Ta1 O18 90.3(4) . . ?
O16 Ta1 O18 154.0(4) . . ?
O17 Ta1 O18 77.3(4) . . ?
O9 Ta1 O13 177.6(4) . . ?
O12 Ta1 O13 79.4(4) . . ?
O16 Ta1 O13 78.3(4) . . ?
O17 Ta1 O13 76.4(4) . . ?
O18 Ta1 O13 77.0(4) . . ?
O9 Ta1 Cu1 95.5(3) . . ?
O12 Ta1 Cu1 129.4(3) . . ?
O16 Ta1 Cu1 128.9(3) . . ?
O17 Ta1 Cu1 40.1(3) . . ?
O18 Ta1 Cu1 39.3(3) . . ?
O13 Ta1 Cu1 82.8(3) . . ?
O9 Ta1 Ta5 136.3(3) . . ?
O12 Ta1 Ta5 33.4(3) . . ?
O16 Ta1 Ta5 83.9(3) . . ?
O17 Ta1 Ta5 122.2(3) . . ?
O18 Ta1 Ta5 84.8(3) . . ?
O13 Ta1 Ta5 46.0(2) . . ?
Cu1 Ta1 Ta5 114.62(5) . . ?
O9 Ta1 Ta2 134.3(3) . . ?
O12 Ta1 Ta2 84.0(3) . . ?
O16 Ta1 Ta2 32.6(3) . . ?
O17 Ta1 Ta2 84.3(3) . . ?
O18 Ta1 Ta2 122.6(3) . . ?
O13 Ta1 Ta2 45.8(2) . . ?
Cu1 Ta1 Ta2 114.89(5) . . ?
Ta5 Ta1 Ta2 60.676(18) . . ?
O4 Ta2 O3 104.0(5) . . ?
O4 Ta2 O14 103.1(5) . . ?
O3 Ta2 O14 88.3(4) . . ?
O4 Ta2 O16 101.4(5) . . ?
O3 Ta2 O16 154.5(4) . . ?
O14 Ta2 O16 87.9(4) . . ?
O4 Ta2 O7 104.0(5) . . ?
O3 Ta2 O7 87.7(4) . . ?
O14 Ta2 O7 152.8(4) . . ?
O16 Ta2 O7 84.3(4) . . ?
O4 Ta2 O13 178.0(5) . . ?
O3 Ta2 O13 77.9(4) . . ?
O14 Ta2 O13 76.4(4) . . ?
O16 Ta2 O13 76.7(4) . . ?
O7 Ta2 O13 76.4(4) . . ?
O4 Ta2 Ta1 132.8(4) . . ?
O3 Ta2 Ta1 123.2(3) . . ?
O14 Ta2 Ta1 78.9(3) . . ?
O16 Ta2 Ta1 31.5(3) . . ?
O7 Ta2 Ta1 80.9(3) . . ?
O13 Ta2 Ta1 45.3(2) . . ?
O4 Ta2 Ta3 135.6(4) . . ?
O3 Ta2 Ta3 79.3(3) . . ?
O14 Ta2 Ta3 121.3(3) . . ?
O16 Ta2 Ta3 81.2(3) . . ?
O7 Ta2 Ta3 31.7(3) . . ?
O13 Ta2 Ta3 44.9(2) . . ?
Ta1 Ta2 Ta3 62.49(2) . . ?
O4 Ta2 Ta6 136.1(4) . . ?
O3 Ta2 Ta6 32.2(3) . . ?
O14 Ta2 Ta6 80.2(3) . . ?
O16 Ta2 Ta6 122.4(3) . . ?
O7 Ta2 Ta6 82.2(3) . . ?
O13 Ta2 Ta6 45.8(2) . . ?
Ta1 Ta2 Ta6 91.03(2) . . ?
Ta3 Ta2 Ta6 59.60(2) . . ?
O4 Ta2 Ta5 134.1(4) . . ?
O3 Ta2 Ta5 81.7(3) . . ?
O14 Ta2 Ta5 31.0(3) . . ?
O16 Ta2 Ta5 82.1(3) . . ?
O7 Ta2 Ta5 121.9(3) . . ?
O13 Ta2 Ta5 45.4(2) . . ?
Ta1 Ta2 Ta5 59.644(19) . . ?
Ta3 Ta2 Ta5 90.30(2) . . ?
Ta6 Ta2 Ta5 59.83(2) . . ?
O5 Ta3 O10 103.5(5) . . ?
O5 Ta3 O7 104.7(5) . . ?
O10 Ta3 O7 94.4(5) . . ?
O5 Ta3 O19 98.8(5) . . ?
O10 Ta3 O19 90.2(4) . . ?
O7 Ta3 O19 154.2(4) . . ?
O5 Ta3 O17 100.1(4) . . ?
O10 Ta3 O17 154.7(4) . . ?
O7 Ta3 O17 88.3(4) . . ?
O19 Ta3 O17 77.2(4) . . ?
O5 Ta3 O13 174.7(4) . . ?
O10 Ta3 O13 80.0(4) . . ?
O7 Ta3 O13 78.8(4) . . ?
O19 Ta3 O13 77.1(4) . . ?
O17 Ta3 O13 75.8(4) . . ?
O5 Ta3 Cu1 92.0(4) . . ?
O10 Ta3 Cu1 129.3(3) . . ?
O7 Ta3 Cu1 128.1(3) . . ?
O19 Ta3 Cu1 39.3(3) . . ?
O17 Ta3 Cu1 40.1(3) . . ?
O13 Ta3 Cu1 82.7(2) . . ?
O5 Ta3 Ta6 137.4(4) . . ?
O10 Ta3 Ta6 33.9(3) . . ?
O7 Ta3 Ta6 84.1(3) . . ?
O19 Ta3 Ta6 85.7(3) . . ?
O17 Ta3 Ta6 122.0(3) . . ?
O13 Ta3 Ta6 46.3(2) . . ?
Cu1 Ta3 Ta6 115.39(5) . . ?
O5 Ta3 Ta2 138.0(4) . . ?
O10 Ta3 Ta2 85.0(3) . . ?
O7 Ta3 Ta2 33.3(3) . . ?
O19 Ta3 Ta2 122.5(3) . . ?
O17 Ta3 Ta2 83.5(3) . . ?
O13 Ta3 Ta2 45.7(2) . . ?
Cu1 Ta3 Ta2 114.39(5) . . ?
Ta6 Ta3 Ta2 60.44(2) . . ?
O11 Ta4 O15 104.7(5) . . ?
O11 Ta4 O8 104.0(4) . . ?
O15 Ta4 O8 92.9(5) . . ?
O11 Ta4 O19 100.3(4) . . ?
O15 Ta4 O19 90.3(4) . . ?
O8 Ta4 O19 153.8(4) . . ?
O11 Ta4 O18 100.6(4) . . ?
O15 Ta4 O18 153.1(4) . . ?
O8 Ta4 O18 89.6(4) . . ?
O19 Ta4 O18 76.3(4) . . ?
O11 Ta4 O13 175.3(4) . . ?
O15 Ta4 O13 78.5(4) . . ?
O8 Ta4 O13 79.0(4) . . ?
O19 Ta4 O13 76.2(4) . . ?
O18 Ta4 O13 75.7(4) . . ?
O11 Ta4 Cu1 93.4(3) . . ?
O15 Ta4 Cu1 129.1(3) . . ?
O8 Ta4 Cu1 128.6(3) . . ?
O19 Ta4 Cu1 39.3(3) . . ?
O18 Ta4 Cu1 39.2(3) . . ?
O13 Ta4 Cu1 82.0(2) . . ?
O11 Ta4 Ta5 137.3(3) . . ?
O15 Ta4 Ta5 83.4(3) . . ?
O8 Ta4 Ta5 33.4(3) . . ?
O19 Ta4 Ta5 121.8(3) . . ?
O18 Ta4 Ta5 84.1(3) . . ?
O13 Ta4 Ta5 45.8(2) . . ?
Cu1 Ta4 Ta5 113.98(5) . . ?
O11 Ta4 Ta6 137.7(4) . . ?
O15 Ta4 Ta6 33.0(3) . . ?
O8 Ta4 Ta6 83.7(3) . . ?
O19 Ta4 Ta6 85.0(3) . . ?
O18 Ta4 Ta6 121.2(3) . . ?
O13 Ta4 Ta6 45.7(2) . . ?
Cu1 Ta4 Ta6 114.43(5) . . ?
Ta5 Ta4 Ta6 60.00(2) . . ?
O2 Ta5 O6 102.9(5) . . ?
O2 Ta5 O14 103.7(5) . . ?
O6 Ta5 O14 87.8(4) . . ?
O2 Ta5 O8 102.0(5) . . ?
O6 Ta5 O8 88.2(5) . . ?
O14 Ta5 O8 154.2(4) . . ?
O2 Ta5 O12 103.0(5) . . ?
O6 Ta5 O12 154.0(4) . . ?
O14 Ta5 O12 87.3(4) . . ?
O8 Ta5 O12 85.2(4) . . ?
O2 Ta5 O13 179.7(5) . . ?
O6 Ta5 O13 77.3(4) . . ?
O14 Ta5 O13 76.4(4) . . ?
O8 Ta5 O13 77.9(4) . . ?
O12 Ta5 O13 76.7(4) . . ?
O2 Ta5 Ta1 134.5(4) . . ?
O6 Ta5 Ta1 122.6(3) . . ?
O14 Ta5 Ta1 79.1(3) . . ?
O8 Ta5 Ta1 81.7(3) . . ?
O12 Ta5 Ta1 31.5(3) . . ?
O13 Ta5 Ta1 45.3(2) . . ?
O2 Ta5 Ta4 133.9(4) . . ?
O6 Ta5 Ta4 79.6(3) . . ?
O14 Ta5 Ta4 122.4(3) . . ?
O8 Ta5 Ta4 32.0(3) . . ?
O12 Ta5 Ta4 81.6(3) . . ?
O13 Ta5 Ta4 46.0(2) . . ?
Ta1 Ta5 Ta4 62.79(2) . . ?
O2 Ta5 Ta6 134.4(4) . . ?
O6 Ta5 Ta6 31.5(3) . . ?
O14 Ta5 Ta6 80.4(3) . . ?
O8 Ta5 Ta6 82.9(3) . . ?
O12 Ta5 Ta6 122.6(3) . . ?
O13 Ta5 Ta6 45.8(2) . . ?
Ta1 Ta5 Ta6 91.13(2) . . ?
Ta4 Ta5 Ta6 60.26(2) . . ?
O2 Ta5 Ta2 134.9(4) . . ?
O6 Ta5 Ta2 81.0(3) . . ?
O14 Ta5 Ta2 31.2(3) . . ?
O8 Ta5 Ta2 123.1(3) . . ?
O12 Ta5 Ta2 81.6(3) . . ?
O13 Ta5 Ta2 45.2(2) . . ?
Ta1 Ta5 Ta2 59.680(19) . . ?
Ta4 Ta5 Ta2 91.17(2) . . ?
Ta6 Ta5 Ta2 59.95(2) . . ?
O1 Ta6 O6 103.5(5) . . ?
O1 Ta6 O3 102.9(5) . . ?
O6 Ta6 O3 89.0(4) . . ?
O1 Ta6 O15 102.8(5) . . ?
O6 Ta6 O15 87.6(4) . . ?
O3 Ta6 O15 154.1(4) . . ?
O1 Ta6 O10 103.1(5) . . ?
O6 Ta6 O10 153.1(4) . . ?
O3 Ta6 O10 88.6(4) . . ?
O15 Ta6 O10 83.0(4) . . ?
O1 Ta6 O13 179.8(6) . . ?
O6 Ta6 O13 76.7(4) . . ?
O3 Ta6 O13 77.2(4) . . ?
O15 Ta6 O13 77.1(4) . . ?
O10 Ta6 O13 76.7(4) . . ?
O1 Ta6 Ta3 134.7(4) . . ?
O6 Ta6 Ta3 121.8(3) . . ?
O3 Ta6 Ta3 79.4(3) . . ?
O15 Ta6 Ta3 80.6(3) . . ?
O10 Ta6 Ta3 31.7(3) . . ?
O13 Ta6 Ta3 45.1(2) . . ?
O1 Ta6 Ta5 134.5(4) . . ?
O6 Ta6 Ta5 31.1(3) . . ?
O3 Ta6 Ta5 81.8(3) . . ?
O15 Ta6 Ta5 82.1(3) . . ?
O10 Ta6 Ta5 122.3(3) . . ?
O13 Ta6 Ta5 45.6(2) . . ?
Ta3 Ta6 Ta5 90.75(2) . . ?
O1 Ta6 Ta2 134.7(4) . . ?
O6 Ta6 Ta2 81.0(3) . . ?
O3 Ta6 Ta2 31.8(3) . . ?
O15 Ta6 Ta2 122.4(3) . . ?
O10 Ta6 Ta2 83.0(3) . . ?
O13 Ta6 Ta2 45.4(2) . . ?
Ta3 Ta6 Ta2 59.97(2) . . ?
Ta5 Ta6 Ta2 60.22(2) . . ?
O1 Ta6 Ta4 134.2(4) . . ?
O6 Ta6 Ta4 78.8(3) . . ?
O3 Ta6 Ta4 122.8(3) . . ?
O15 Ta6 Ta4 31.5(3) . . ?
O10 Ta6 Ta4 80.1(3) . . ?
O13 Ta6 Ta4 45.7(2) . . ?
Ta3 Ta6 Ta4 62.121(19) . . ?
Ta5 Ta6 Ta4 59.74(2) . . ?
Ta2 Ta6 Ta4 91.03(2) . . ?
O9 Cu1 O18 96.6(4) 2_745 . ?
O9 Cu1 O19 176.7(5) 2_745 . ?
O18 Cu1 O19 81.0(4) . . ?
O9 Cu1 O17 96.1(4) 2_745 . ?
O18 Cu1 O17 80.6(4) . . ?
O19 Cu1 O17 81.3(4) . . ?
O9 Cu1 N2 91.4(5) 2_745 . ?
O18 Cu1 N2 172.0(5) . . ?
O19 Cu1 N2 91.0(5) . . ?
O17 Cu1 N2 98.4(6) . . ?
O9 Cu1 N1 91.2(5) 2_745 . ?
O18 Cu1 N1 99.4(5) . . ?
O19 Cu1 N1 91.4(5) . . ?
O17 Cu1 N1 172.6(6) . . ?
N2 Cu1 N1 80.6(7) . . ?
O9 Cu1 Ta1 87.8(3) 2_745 . ?
O18 Cu1 Ta1 41.6(3) . . ?
O19 Cu1 Ta1 88.9(3) . . ?
O17 Cu1 Ta1 41.2(3) . . ?
N2 Cu1 Ta1 139.1(5) . . ?
N1 Cu1 Ta1 140.4(5) . . ?
O9 Cu1 Ta3 136.5(3) 2_745 . ?
O18 Cu1 Ta3 88.7(3) . . ?
O19 Cu1 Ta3 41.5(3) . . ?
O17 Cu1 Ta3 42.1(3) . . ?
N2 Cu1 Ta3 85.3(4) . . ?
N1 Cu1 Ta3 130.5(5) . . ?
Ta1 Cu1 Ta3 68.10(5) . . ?
O9 Cu1 Ta4 136.9(3) 2_745 . ?
O18 Cu1 Ta4 42.1(3) . . ?
O19 Cu1 Ta4 41.3(3) . . ?
O17 Cu1 Ta4 88.9(3) . . ?
N2 Cu1 Ta4 130.2(4) . . ?
N1 Cu1 Ta4 86.3(4) . . ?
Ta1 Cu1 Ta4 68.44(5) . . ?
Ta3 Cu1 Ta4 67.75(5) . . ?
N4 Cu2 N4 180.0 . 2_835 ?
N4 Cu2 N3 83.2(6) . . ?
N4 Cu2 N3 96.8(6) 2_835 . ?
N4 Cu2 N3 96.8(6) . 2_835 ?
N4 Cu2 N3 83.2(6) 2_835 2_835 ?
N3 Cu2 N3 180.0 . 2_835 ?
N5 Cu3 N5 180.0 . 2_944 ?
N5 Cu3 N6 84.2(8) . . ?
N5 Cu3 N6 95.8(8) 2_944 . ?
N5 Cu3 N6 95.8(8) . 2_944 ?
N5 Cu3 N6 84.2(8) 2_944 2_944 ?
N6 Cu3 N6 180.0 . 2_944 ?
O28 Na1 O23 88.5(6) . . ?
O28 Na1 O24 165.2(6) . . ?
O23 Na1 O24 88.8(5) . . ?
O28 Na1 O25 85.7(6) . . ?
O23 Na1 O25 170.3(6) . . ?
O24 Na1 O25 98.7(7) . . ?
O28 Na1 O21 94.2(5) . . ?
O23 Na1 O21 92.2(5) . . ?
O24 Na1 O21 100.4(6) . . ?
O25 Na1 O21 80.5(6) . . ?
O28 Na1 O20 85.7(5) . . ?
O23 Na1 O20 88.3(5) . . ?
O24 Na1 O20 79.7(6) . . ?
O25 Na1 O20 98.9(6) . . ?
O21 Na1 O20 179.5(5) . . ?
O28 Na1 Na2 84.2(5) . . ?
O23 Na1 Na2 43.8(3) . . ?
O24 Na1 Na2 83.9(5) . . ?
O25 Na1 Na2 142.7(5) . . ?
O21 Na1 Na2 135.9(4) . . ?
O20 Na1 Na2 44.6(4) . . ?
O26 Na2 O27 102.8(6) . . ?
O26 Na2 O22 162.1(6) . . ?
O27 Na2 O22 93.4(5) . . ?
O26 Na2 O23 83.6(5) . . ?
O27 Na2 O23 93.6(5) . . ?
O22 Na2 O23 87.7(5) . . ?
O26 Na2 O22 99.8(5) . 2_845 ?
O27 Na2 O22 89.3(5) . 2_845 ?
O22 Na2 O22 87.9(4) . 2_845 ?
O23 Na2 O22 174.9(6) . 2_845 ?
O26 Na2 O20 84.0(6) . . ?
O27 Na2 O20 173.2(6) . . ?
O22 Na2 O20 79.9(5) . . ?
O23 Na2 O20 87.4(5) . . ?
O22 Na2 O20 89.2(5) 2_845 . ?
O26 Na2 Na1 79.7(5) . . ?
O27 Na2 Na1 136.5(4) . . ?
O22 Na2 Na1 83.3(4) . . ?
O23 Na2 Na1 43.0(3) . . ?
O22 Na2 Na1 133.7(4) 2_845 . ?
O20 Na2 Na1 44.4(4) . . ?
O26 Na2 Na2 140.9(5) . 2_845 ?
O27 Na2 Na2 91.9(4) . 2_845 ?
O22 Na2 Na2 44.3(3) . 2_845 ?
O23 Na2 Na2 132.0(5) . 2_845 ?
O22 Na2 Na2 43.6(3) 2_845 2_845 ?
O20 Na2 Na2 82.5(4) . 2_845 ?
Na1 Na2 Na2 113.7(4) . 2_845 ?
C2 C1 C7 115(3) . . ?
C2 C1 N2 119(3) . . ?
C7 C1 N2 114(3) . . ?
C1 C2 N1 111(3) . . ?
C4 C3 N4 117(2) . . ?
C3 C4 C9 114(2) . . ?
C3 C4 N3 117.3(18) . . ?
C9 C4 N3 128(2) . . ?
C8 C5 C6 106(2) . . ?
C8 C5 N6 125(2) . . ?
C6 C5 N6 121(3) . . ?
N5 C6 C5 115(3) . . ?
C2 N1 Cu1 113.0(16) . . ?
C1 N2 Cu1 108.3(15) . . ?
C4 N3 Cu2 109.1(12) . . ?
C3 N4 Cu2 109.7(14) . . ?
C5 N6 Cu3 105.0(16) . . ?
Ta2 O3 Ta6 116.0(5) . . ?
Ta5 O6 Ta6 117.4(5) . . ?
Ta3 O7 Ta2 115.0(5) . . ?
Ta4 O8 Ta5 114.6(4) . . ?
Ta1 O9 Cu1 176.6(7) . 2_745 ?
Ta3 O10 Ta6 114.4(5) . . ?
Ta1 O12 Ta5 115.1(5) . . ?
Ta3 O13 Ta1 94.1(3) . . ?
Ta3 O13 Ta2 89.4(3) . . ?
Ta1 O13 Ta2 88.9(4) . . ?
Ta3 O13 Ta5 176.9(5) . . ?
Ta1 O13 Ta5 88.7(3) . . ?
Ta2 O13 Ta5 89.4(3) . . ?
Ta3 O13 Ta4 92.8(4) . . ?
Ta1 O13 Ta4 93.5(3) . . ?
Ta2 O13 Ta4 176.6(5) . . ?
Ta5 O13 Ta4 88.3(3) . . ?
Ta3 O13 Ta6 88.6(3) . . ?
Ta1 O13 Ta6 176.4(5) . . ?
Ta2 O13 Ta6 88.8(3) . . ?
Ta5 O13 Ta6 88.5(3) . . ?
Ta4 O13 Ta6 88.6(3) . . ?
Ta5 O14 Ta2 117.8(5) . . ?
Ta4 O15 Ta6 115.5(6) . . ?
Ta1 O16 Ta2 115.9(5) . . ?
Cu1 O17 Ta1 98.7(4) . . ?
Cu1 O17 Ta3 97.8(5) . . ?
Ta1 O17 Ta3 112.9(4) . . ?
Cu1 O18 Ta1 99.1(4) . . ?
Cu1 O18 Ta4 98.7(5) . . ?
Ta1 O18 Ta4 112.8(4) . . ?
Cu1 O19 Ta4 99.5(5) . . ?
Cu1 O19 Ta3 99.2(4) . . ?
Ta4 O19 Ta3 112.5(5) . . ?
Na1 O20 Na2 91.0(4) . . ?
Na2 O22 Na2 92.1(4) . 2_845 ?
Na1 O23 Na2 93.2(4) . . ?
C6 N5 Cu3 114.4(18) . . ?
O1W O2W O1W 180.0 . 2_844 ?

_refine_diff_density_max         3.030
_refine_diff_density_min         -2.767
_refine_diff_density_rms         0.335

_shelxl_version_number           2014-3

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.033 0.000 0.500 900.6 163.6
_platon_squeeze_details          
; ?
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1866079'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H64 Cu5 N16 Na4 O59 Ta12'
_chemical_formula_weight         4005.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   15.6559(11)
_cell_length_b                   19.7079(14)
_cell_length_c                   14.9410(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.2070(10)
_cell_angle_gamma                90
_cell_volume                     4597.5(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5830
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      25.01

_exptl_crystal_description       bar
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.847
_exptl_crystal_F_000             3490
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    15.451
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.3156
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12875
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.664
_diffrn_reflns_theta_max         23.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.856
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.856
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.856
_reflns_number_total             3674
_reflns_number_gt                3221
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0357P)²+82.4189P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3674
_refine_ls_number_parameters     273
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0797
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.35365(3) 0.0000 0.45230(3) 0.01261(13) Uani 1 2 d S TU P . .
Ta2 Ta 0.18483(3) 0.0000 0.17399(3) 0.01999(14) Uani 1 2 d S TU P . .
Ta3 Ta 0.35671(2) 0.08713(2) 0.25313(2) 0.01570(12) Uani 1 1 d . U . . .
Ta4 Ta 0.18288(2) 0.08507(2) 0.36888(2) 0.01694(12) Uani 1 1 d . U . . .
Cu1 Cu 0.50671(11) 0.0000 0.33430(12) 0.0353(4) Uani 1 2 d S TU P . .
Cu2 Cu 0.5000 0.5000 0.5000 0.0317(6) Uani 1 4 d S TU P . .
Cu3 Cu 0.2500 0.2500 1.0000 0.0629(7) Uani 1 2 d S U P . .
O3 O 0.4246(5) 0.0000 0.2266(5) 0.0162(15) Uani 1 2 d S TU P . .
O4 O 0.4227(3) 0.0657(3) 0.3758(4) 0.0148(11) Uani 1 1 d . U . . .
O5 O 0.4187(5) 0.0000 0.5578(5) 0.0190(18) Uani 1 2 d S TU P . .
O6 O 0.2728(3) 0.0707(3) 0.4701(4) 0.0174(12) Uani 1 1 d . U . . .
O7 O 0.2768(5) 0.0000 0.3131(5) 0.0152(14) Uani 1 2 d S TU P . .
O8 O 0.2771(4) 0.0686(3) 0.1516(4) 0.0211(12) Uani 1 1 d . U . . .
O9 O 0.0000 0.3398(4) 0.5000 0.0275(19) Uani 1 2 d S TU P . .
O10 O 0.2754(3) 0.1395(3) 0.3146(4) 0.0199(12) Uani 1 1 d . U . . .
O12 O 0.1326(4) 0.0700(3) 0.2451(4) 0.0231(13) Uani 1 1 d . U . . .
O13 O 0.1151(4) 0.1468(3) 0.4135(5) 0.0284(14) Uani 1 1 d . U . . .
O14 O 0.4264(4) 0.1500(3) 0.2100(4) 0.0272(14) Uani 1 1 d . U . . .
O15 O 0.1305(5) 0.0000 0.4062(6) 0.0186(16) Uani 1 2 d S TU P . .
O16 O 0.1205(6) 0.0000 0.0693(6) 0.037(2) Uani 1 2 d S TU P . .
O18 O 0.1547(4) 0.2498(3) 0.5945(5) 0.0352(16) Uani 1 1 d . U . . .
N1 N 0.5858(4) -0.0699(4) 0.2763(5) 0.0270(17) Uani 1 1 d . U . . .
H1A H 0.5541 -0.0965 0.2377 0.032 Uiso 1 1 d R U . . .
H1B H 0.6113 -0.0966 0.3192 0.032 Uiso 1 1 d R U . . .
Na1 Na 0.0978(2) 0.26029(18) 0.4380(3) 0.0314(9) Uani 1 1 d . U . . .
O40 O 0.2038(4) 0.3374(3) 0.3972(4) 0.0338(15) Uani 1 1 d . U . . .
O41 O -0.0055(5) 0.2487(4) 0.3111(5) 0.0463(19) Uani 1 1 d . U . . .
C2 C 0.6506(9) -0.0341(7) 0.2297(11) 0.082(4) Uani 1 1 d . U . . .
H2A H 0.6451 -0.0489 0.1683 0.098 Uiso 1 1 d R U . . .
H2B H 0.7057 -0.0489 0.2547 0.098 Uiso 1 1 d R U . . .
N3 N 0.5575(5) 0.5693(5) 0.5817(6) 0.041(2) Uani 1 1 d . U . . .
H3C H 0.5181 0.5950 0.6065 0.049 Uiso 1 1 d R U . . .
H3D H 0.5907 0.5964 0.5505 0.049 Uiso 1 1 d R U . . .
N4 N 0.1908(9) 0.2086(7) 1.1008(8) 0.089(4) Uani 1 1 d . U . . .
H4A H 0.2186 0.1710 1.1208 0.107 Uiso 1 1 d R U . . .
H4B H 0.1372 0.1969 1.0809 0.107 Uiso 1 1 d R U . . .
C5 C 0.1867(12) 0.2579(10) 1.1724(10) 0.088(6) Uani 1 1 d . U . . .
H5A H 0.1757 0.2358 1.2276 0.105 Uiso 1 1 d R U . . .
H5B H 0.1423 0.2906 1.1585 0.105 Uiso 1 1 d R U . . .
N5 N 0.2102(11) 0.1822(9) 0.9062(9) 0.120(6) Uani 1 1 d . U . . .
H5C H 0.1535 0.1754 0.9077 0.143 Uiso 1 1 d R U . . .
H5D H 0.2374 0.1424 0.9162 0.143 Uiso 1 1 d R U . . .
C6 C 0.2306(15) 0.2097(10) 0.8201(11) 0.103(6) Uani 1 1 d . U . . .
H6A H 0.1873 0.2419 0.8001 0.124 Uiso 1 1 d R U . . .
H6B H 0.2309 0.1739 0.7766 0.124 Uiso 1 1 d R U . . .
C3 C 0.6076(11) 0.5340(8) 0.6491(12) 0.102(5) Uani 1 1 d . U . . .
H3A H 0.5897 0.5487 0.7060 0.122 Uiso 1 1 d R U . . .
H3B H 0.6658 0.5487 0.6460 0.122 Uiso 1 1 d R U . . .
O1W O -0.0112(8) 0.1357(7) 0.1902(9) 0.105(4) Uani 1 1 d . U . . .
O3W O 0.0915(13) 0.2981(11) 0.9584(10) 0.075(6) Uani 0.5 1 d . . P . .
O2W O 0.0000 0.0934(15) 0.0000 0.078(8) Uiso 0.5 2 d S . P . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O5 1.813(8) . ?
Ta1 O6 1.914(5) . ?
Ta1 O6 1.914(5) 6 ?
Ta1 O4 2.082(5) . ?
Ta1 O4 2.082(5) 6 ?
Ta1 O7 2.325(7) . ?
Ta1 Cu1 3.0775(19) . ?
Ta1 Ta4 3.3201(5) 6 ?
Ta1 Ta4 3.3201(5) . ?
Ta2 O16 1.797(9) . ?
Ta2 O12 1.955(6) 6 ?
Ta2 O12 1.955(6) . ?
Ta2 O8 2.024(6) . ?
Ta2 O8 2.024(6) 6 ?
Ta2 O7 2.440(7) . ?
Ta2 Ta3 3.3348(5) 6 ?
Ta2 Ta3 3.3348(5) . ?
Ta3 O14 1.801(6) . ?
Ta3 O10 1.923(6) . ?
Ta3 O8 1.927(6) . ?
Ta3 O3 2.073(4) . ?
Ta3 O4 2.080(5) . ?
Ta3 O7 2.342(5) . ?
Ta3 Cu1 3.0849(15) . ?
Ta3 Ta4 3.3300(5) . ?
Ta4 O13 1.776(6) . ?
Ta4 O15 1.965(4) . ?
Ta4 O12 1.979(6) . ?
Ta4 O6 2.009(6) . ?
Ta4 O10 2.019(6) . ?
Ta4 O7 2.417(5) . ?
Ta4 Ta4 3.3531(7) 6 ?
Cu1 O5 1.920(8) 5_656 ?
Cu1 O4 1.978(5) . ?
Cu1 O4 1.978(5) 6 ?
Cu1 O3 1.985(8) . ?
Cu1 N1 2.084(7) 6 ?
Cu1 N1 2.084(7) . ?
Cu1 Ta3 3.0850(15) 6 ?
Cu2 N3 2.001(8) 5_666 ?
Cu2 N3 2.001(8) 6_565 ?
Cu2 N3 2.001(8) 2_656 ?
Cu2 N3 2.001(8) . ?
Cu3 N4 1.999(12) . ?
Cu3 N4 1.999(12) 7_557 ?
Cu3 N5 2.002(15) 7_557 ?
Cu3 N5 2.002(15) . ?
O3 Ta3 2.073(4) 6 ?
O5 Cu1 1.920(8) 5_656 ?
O7 Ta3 2.342(5) 6 ?
O7 Ta4 2.417(5) 6 ?
O9 Na1 2.422(7) . ?
O9 Na1 2.422(7) 2_556 ?
O13 Na1 2.285(7) . ?
O15 Ta4 1.965(4) 6 ?
O18 Na1 2.449(8) . ?
N1 C2 1.454(14) . ?
Na1 O40 2.363(8) . ?
Na1 O41 2.410(8) . ?
Na1 Na1 3.694(7) 2_556 ?
C2 C2 1.34(3) 6 ?
N3 C3 1.413(17) . ?
N4 C5 1.45(2) . ?
C5 C6 1.44(3) 7_557 ?
N5 C6 1.45(2) . ?
C6 C5 1.44(3) 7_557 ?
C3 C3 1.34(3) 6_565 ?

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
O5 Ta1 O6 102.4(2) . . ?
O5 Ta1 O6 102.4(2) . 6 ?
O6 Ta1 O6 93.4(3) . 6 ?
O5 Ta1 O4 101.3(2) . . ?
O6 Ta1 O4 89.9(2) . . ?
O6 Ta1 O4 154.7(2) 6 . ?
O5 Ta1 O4 101.3(2) . 6 ?
O6 Ta1 O4 154.7(2) . 6 ?
O6 Ta1 O4 89.9(2) 6 6 ?
O4 Ta1 O4 77.0(3) . 6 ?
O5 Ta1 O7 177.0(3) . . ?
O6 Ta1 O7 79.6(2) . . ?
O6 Ta1 O7 79.6(2) 6 . ?
O4 Ta1 O7 76.4(2) . . ?
O4 Ta1 O7 76.4(2) 6 . ?
O5 Ta1 Cu1 95.0(2) . . ?
O6 Ta1 Cu1 129.07(17) . . ?
O6 Ta1 Cu1 129.07(17) 6 . ?
O4 Ta1 Cu1 39.46(15) . . ?
O4 Ta1 Cu1 39.46(15) 6 . ?
O7 Ta1 Cu1 82.04(18) . . ?
O5 Ta1 Ta4 135.41(17) . 6 ?
O6 Ta1 Ta4 84.09(16) . 6 ?
O6 Ta1 Ta4 33.07(17) 6 6 ?
O4 Ta1 Ta4 122.98(15) . 6 ?
O4 Ta1 Ta4 85.18(14) 6 6 ?
O7 Ta1 Ta4 46.71(13) . 6 ?
Cu1 Ta1 Ta4 115.11(3) . 6 ?
O5 Ta1 Ta4 135.41(17) . . ?
O6 Ta1 Ta4 33.07(17) . . ?
O6 Ta1 Ta4 84.09(16) 6 . ?
O4 Ta1 Ta4 85.18(14) . . ?
O4 Ta1 Ta4 122.98(15) 6 . ?
O7 Ta1 Ta4 46.72(13) . . ?
Cu1 Ta1 Ta4 115.11(3) . . ?
Ta4 Ta1 Ta4 60.659(14) 6 . ?
O16 Ta2 O12 104.1(3) . 6 ?
O16 Ta2 O12 104.1(3) . . ?
O12 Ta2 O12 89.7(4) 6 . ?
O16 Ta2 O8 102.5(3) . . ?
O12 Ta2 O8 153.2(2) 6 . ?
O12 Ta2 O8 87.1(2) . . ?
O16 Ta2 O8 102.5(3) . 6 ?
O12 Ta2 O8 87.1(2) 6 6 ?
O12 Ta2 O8 153.2(2) . 6 ?
O8 Ta2 O8 83.9(3) . 6 ?
O16 Ta2 O7 178.0(4) . . ?
O12 Ta2 O7 77.3(2) 6 . ?
O12 Ta2 O7 77.4(2) . . ?
O8 Ta2 O7 76.0(2) . . ?
O8 Ta2 O7 76.0(2) 6 . ?
O16 Ta2 Ta3 134.0(2) . 6 ?
O12 Ta2 Ta3 78.62(17) 6 6 ?
O12 Ta2 Ta3 121.93(17) . 6 ?
O8 Ta2 Ta3 80.55(16) . 6 ?
O8 Ta2 Ta3 31.54(16) 6 6 ?
O7 Ta2 Ta3 44.58(12) . 6 ?
O16 Ta2 Ta3 134.0(2) . . ?
O12 Ta2 Ta3 121.93(17) 6 . ?
O12 Ta2 Ta3 78.62(17) . . ?
O8 Ta2 Ta3 31.54(16) . . ?
O8 Ta2 Ta3 80.55(16) 6 . ?
O7 Ta2 Ta3 44.58(12) . . ?
Ta3 Ta2 Ta3 61.983(15) 6 . ?
O14 Ta3 O10 104.0(3) . . ?
O14 Ta3 O8 102.9(3) . . ?
O10 Ta3 O8 93.7(2) . . ?
O14 Ta3 O3 99.7(3) . . ?
O10 Ta3 O3 154.4(3) . . ?
O8 Ta3 O3 90.2(3) . . ?
O14 Ta3 O4 100.3(2) . . ?
O10 Ta3 O4 89.5(2) . . ?
O8 Ta3 O4 155.0(2) . . ?
O3 Ta3 O4 76.8(3) . . ?
O14 Ta3 O7 175.0(3) . . ?
O10 Ta3 O7 79.6(2) . . ?
O8 Ta3 O7 80.2(2) . . ?
O3 Ta3 O7 76.2(2) . . ?
O4 Ta3 O7 76.0(2) . . ?
O14 Ta3 Cu1 93.4(2) . . ?
O10 Ta3 Cu1 128.46(17) . . ?
O8 Ta3 Cu1 129.37(18) . . ?
O3 Ta3 Cu1 39.5(2) . . ?
O4 Ta3 Cu1 39.30(15) . . ?
O7 Ta3 Cu1 81.62(16) . . ?
O14 Ta3 Ta4 137.2(2) . . ?
O10 Ta3 Ta4 33.26(17) . . ?
O8 Ta3 Ta4 84.28(18) . . ?
O3 Ta3 Ta4 122.63(17) . . ?
O4 Ta3 Ta4 84.95(14) . . ?
O7 Ta3 Ta4 46.53(13) . . ?
Cu1 Ta3 Ta4 114.62(3) . . ?
O14 Ta3 Ta2 136.2(2) . . ?
O10 Ta3 Ta2 84.29(16) . . ?
O8 Ta3 Ta2 33.34(17) . . ?
O3 Ta3 Ta2 85.24(19) . . ?
O4 Ta3 Ta2 122.94(15) . . ?
O7 Ta3 Ta2 47.01(18) . . ?
Cu1 Ta3 Ta2 115.09(2) . . ?
Ta4 Ta3 Ta2 60.590(12) . . ?
O13 Ta4 O15 101.8(3) . . ?
O13 Ta4 O12 104.3(3) . . ?
O15 Ta4 O12 89.5(3) . . ?
O13 Ta4 O6 102.7(3) . . ?
O15 Ta4 O6 87.1(3) . . ?
O12 Ta4 O6 153.0(2) . . ?
O13 Ta4 O10 104.6(3) . . ?
O15 Ta4 O10 153.3(3) . . ?
O12 Ta4 O10 87.3(2) . . ?
O6 Ta4 O10 83.9(2) . . ?
O13 Ta4 O7 178.1(3) . . ?
O15 Ta4 O7 77.5(2) . . ?
O12 Ta4 O7 77.5(2) . . ?
O6 Ta4 O7 75.6(2) . . ?
O10 Ta4 O7 76.0(2) . . ?
O13 Ta4 Ta1 133.8(2) . . ?
O15 Ta4 Ta1 78.7(2) . . ?
O12 Ta4 Ta1 121.93(17) . . ?
O6 Ta4 Ta1 31.33(16) . . ?
O10 Ta4 Ta1 80.62(15) . . ?
O7 Ta4 Ta1 44.44(17) . . ?
O13 Ta4 Ta3 136.0(2) . . ?
O15 Ta4 Ta3 122.12(19) . . ?
O12 Ta4 Ta3 78.48(17) . . ?
O6 Ta4 Ta3 80.71(16) . . ?
O10 Ta4 Ta3 31.49(16) . . ?
O7 Ta4 Ta3 44.68(12) . . ?
Ta1 Ta4 Ta3 62.283(12) . . ?
O13 Ta4 Ta4 133.3(2) . 6 ?
O15 Ta4 Ta4 31.44(19) . 6 ?
O12 Ta4 Ta4 81.34(18) . 6 ?
O6 Ta4 Ta4 81.89(16) . 6 ?
O10 Ta4 Ta4 122.06(16) . 6 ?
O7 Ta4 Ta4 46.09(12) . 6 ?
Ta1 Ta4 Ta4 59.670(7) . 6 ?
Ta3 Ta4 Ta4 90.698(8) . 6 ?
O5 Cu1 O4 96.6(2) 5_656 . ?
O5 Cu1 O4 96.6(2) 5_656 6 ?
O4 Cu1 O4 81.8(3) . 6 ?
O5 Cu1 O3 177.1(3) 5_656 . ?
O4 Cu1 O3 81.3(2) . . ?
O4 Cu1 O3 81.3(2) 6 . ?
O5 Cu1 N1 90.4(3) 5_656 6 ?
O4 Cu1 N1 97.2(3) . 6 ?
O4 Cu1 N1 173.1(3) 6 6 ?
O3 Cu1 N1 91.8(3) . 6 ?
O5 Cu1 N1 90.4(3) 5_656 . ?
O4 Cu1 N1 173.1(3) . . ?
O4 Cu1 N1 97.2(3) 6 . ?
O3 Cu1 N1 91.8(3) . . ?
N1 Cu1 N1 82.8(4) 6 . ?
O5 Cu1 Ta1 88.3(2) 5_656 . ?
O4 Cu1 Ta1 41.99(16) . . ?
O4 Cu1 Ta1 41.99(16) 6 . ?
O3 Cu1 Ta1 88.8(2) . . ?
N1 Cu1 Ta1 138.6(2) 6 . ?
N1 Cu1 Ta1 138.6(2) . . ?
O5 Cu1 Ta3 136.77(14) 5_656 . ?
O4 Cu1 Ta3 41.76(16) . . ?
O4 Cu1 Ta3 89.04(16) 6 . ?
O3 Cu1 Ta3 41.59(12) . . ?
N1 Cu1 Ta3 85.8(2) 6 . ?
N1 Cu1 Ta3 131.5(2) . . ?
Ta1 Cu1 Ta3 67.85(4) . . ?
O5 Cu1 Ta3 136.77(14) 5_656 6 ?
O4 Cu1 Ta3 89.04(16) . 6 ?
O4 Cu1 Ta3 41.76(16) 6 6 ?
O3 Cu1 Ta3 41.59(12) . 6 ?
N1 Cu1 Ta3 131.5(2) 6 6 ?
N1 Cu1 Ta3 85.8(2) . 6 ?
Ta1 Cu1 Ta3 67.85(4) . 6 ?
Ta3 Cu1 Ta3 67.64(4) . 6 ?
N3 Cu2 N3 93.9(5) 5_666 6_565 ?
N3 Cu2 N3 86.1(5) 5_666 2_656 ?
N3 Cu2 N3 180.0 6_565 2_656 ?
N3 Cu2 N3 180.0(4) 5_666 . ?
N3 Cu2 N3 86.1(5) 6_565 . ?
N3 Cu2 N3 93.9(5) 2_656 . ?
N4 Cu3 N4 180.0 . 7_557 ?
N4 Cu3 N5 83.2(6) . 7_557 ?
N4 Cu3 N5 96.8(6) 7_557 7_557 ?
N4 Cu3 N5 96.8(6) . . ?
N4 Cu3 N5 83.2(6) 7_557 . ?
N5 Cu3 N5 180.0 7_557 . ?
Cu1 O3 Ta3 98.9(3) . . ?
Cu1 O3 Ta3 98.9(3) . 6 ?
Ta3 O3 Ta3 111.9(3) . 6 ?
Cu1 O4 Ta3 98.9(2) . . ?
Cu1 O4 Ta1 98.5(2) . . ?
Ta3 O4 Ta1 111.4(2) . . ?
Ta1 O5 Cu1 176.8(5) . 5_656 ?
Ta1 O6 Ta4 115.6(3) . . ?
Ta1 O7 Ta3 94.9(2) . 6 ?
Ta1 O7 Ta3 94.9(2) . . ?
Ta3 O7 Ta3 94.3(3) 6 . ?
Ta1 O7 Ta4 88.8(2) . 6 ?
Ta3 O7 Ta4 88.79(2) 6 6 ?
Ta3 O7 Ta4 174.9(3) . 6 ?
Ta1 O7 Ta4 88.8(2) . . ?
Ta3 O7 Ta4 174.9(3) 6 . ?
Ta3 O7 Ta4 88.79(2) . . ?
Ta4 O7 Ta4 87.8(2) 6 . ?
Ta1 O7 Ta2 175.1(4) . . ?
Ta3 O7 Ta2 88.4(2) 6 . ?
Ta3 O7 Ta2 88.4(2) . . ?
Ta4 O7 Ta2 87.6(2) 6 . ?
Ta4 O7 Ta2 87.6(2) . . ?
Ta3 O8 Ta2 115.1(3) . . ?
Na1 O9 Na1 99.4(4) . 2_556 ?
Ta3 O10 Ta4 115.2(3) . . ?
Ta2 O12 Ta4 117.4(3) . . ?
Ta4 O13 Na1 144.3(4) . . ?
Ta4 O15 Ta4 117.1(4) 6 . ?
C2 N1 Cu1 109.5(7) . . ?
O13 Na1 O40 119.6(3) . . ?
O13 Na1 O41 82.1(3) . . ?
O40 Na1 O41 107.6(3) . . ?
O13 Na1 O9 141.3(3) . . ?
O40 Na1 O9 99.1(3) . . ?
O41 Na1 O9 87.5(2) . . ?
O13 Na1 O18 91.8(3) . . ?
O40 Na1 O18 95.0(3) . . ?
O41 Na1 O18 156.8(3) . . ?
O9 Na1 O18 83.4(2) . . ?
O13 Na1 Na1 101.12(18) . 2_556 ?
O40 Na1 Na1 138.85(19) . 2_556 ?
O41 Na1 Na1 82.0(2) . 2_556 ?
O9 Na1 Na1 40.32(18) . 2_556 ?
O18 Na1 Na1 77.2(2) . 2_556 ?
C2 C2 N1 119.1(6) 6 . ?
C3 N3 Cu2 107.5(8) . . ?
C5 N4 Cu3 109.3(11) . . ?
C6 C5 N4 105.4(13) 7_557 . ?
C6 N5 Cu3 107.1(13) . . ?
C5 C6 N5 110.5(16) 7_557 . ?
C3 C3 N3 119.5(7) 6_565 . ?

_refine_diff_density_max         1.473
_refine_diff_density_min         -3.149
_refine_diff_density_rms         0.231

_shelxl_version_number           2014-3

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.000 228.9 12.3
2 0.500 0.000 0.000 228.8 12.3
_platon_squeeze_details          
; ?
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1866080'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H64 Cu5 N16 Na4 O68 Ta12'
_chemical_formula_weight         4149.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
C C 0.0033 0.0016 '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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1771(15)
_cell_length_b                   14.1882(15)
_cell_length_c                   15.5444(17)
_cell_angle_alpha                92.667(2)
_cell_angle_beta                 100.540(2)
_cell_angle_gamma                110.664(2)
_cell_volume                     2653.8(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4993
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      25.06

_exptl_crystal_description       block
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.556
_exptl_crystal_F_000             1817
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    13.395
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.5625
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18608
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.691
_diffrn_reflns_theta_max         25.130
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.970
_reflns_number_total             9320
_reflns_number_gt                6749
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0805P)²+7.8918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9320
_refine_ls_number_parameters     550
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.1463
_refine_ls_wR_factor_gt          0.1373
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.82871(4) 0.36328(4) 0.46135(3) 0.01662(15) Uani 1 1 d . . . . .
Ta2 Ta 0.55663(4) 0.27457(4) 0.44165(4) 0.02057(15) Uani 1 1 d . . . . .
Ta3 Ta 0.67667(4) 0.14408(4) 0.33952(4) 0.02322(16) Uani 1 1 d . . . . .
Ta4 Ta 0.66849(4) 0.47654(4) 0.34110(4) 0.01973(15) Uani 1 1 d . . . . .
Ta5 Ta 0.79046(4) 0.34145(4) 0.23547(4) 0.02223(16) Uani 1 1 d . . . . .
Ta6 Ta 0.51682(4) 0.25260(5) 0.22388(4) 0.02983(18) Uani 1 1 d . . . . .
Cu1 Cu 0.92036(15) 0.54179(16) 0.35582(14) 0.0411(5) Uani 1 1 d . . . . .
Cu2 Cu 0.5000 0.0000 0.5000 0.0285(6) Uani 1 2 d S . P . .
Cu3 Cu 0.5000 0.0000 0.0000 0.0421(7) Uani 1 2 d S . P . .
Cu4 Cu 0.5000 0.5000 0.0000 0.0599(9) Uani 1 2 d S . P . .
Na1 Na 0.7680(4) 0.5942(5) 0.6981(4) 0.0415(16) Uani 1 1 d . . . . .
Na2 Na 0.8921(4) 0.8001(5) 0.5956(4) 0.0437(16) Uani 1 1 d . . . . .
O18 O 0.8126(6) 0.4992(6) 0.4349(5) 0.0152(18) Uani 1 1 d . . . . .
O17 O 0.9039(6) 0.3972(6) 0.3547(5) 0.0161(18) Uani 1 1 d . . . . .
O16 O 0.6789(6) 0.3132(6) 0.3422(5) 0.0171(19) Uani 1 1 d . . . . .
O15 O 0.7816(6) 0.4813(7) 0.2645(6) 0.023(2) Uani 1 1 d . . . . .
O14 O 0.5809(7) 0.4214(7) 0.4268(6) 0.025(2) Uani 1 1 d . . . . .
O13 O 0.5817(7) 0.1475(7) 0.4225(6) 0.026(2) Uani 1 1 d . . . . .
O12 O 0.9488(6) 0.4070(6) 0.5517(6) 0.022(2) Uani 1 1 d . . . . .
O11 O 0.4686(7) 0.2452(7) 0.5193(6) 0.027(2) Uani 1 1 d . . . . .
O10 O 0.5485(7) 0.4011(7) 0.2423(6) 0.031(2) Uani 1 1 d . . . . .
O9 O 0.8063(7) 0.2222(6) 0.4349(6) 0.024(2) Uani 1 1 d . . . . .
O8 O 0.7774(7) 0.2074(7) 0.2575(6) 0.026(2) Uani 1 1 d . . . . .
O7 O 0.6767(8) 0.0180(7) 0.3386(7) 0.034(2) Uani 1 1 d . . . . .
O6 O 0.6708(7) 0.6034(7) 0.3397(7) 0.028(2) Uani 1 1 d . . . . .
O5 O 0.7070(7) 0.3328(7) 0.5216(6) 0.026(2) Uani 1 1 d . . . . .
O4 O 0.6441(7) 0.2973(8) 0.1596(7) 0.034(2) Uani 1 1 d . . . . .
O19 O 0.8832(7) 0.3702(8) 0.1597(6) 0.031(2) Uani 1 1 d . . . . .
O3 O 0.5504(7) 0.1292(7) 0.2425(7) 0.032(2) Uani 1 1 d . . . . .
O2 O 0.4510(7) 0.2370(7) 0.3281(7) 0.031(2) Uani 1 1 d . . . . .
O1 O 0.4009(8) 0.2109(9) 0.1335(7) 0.041(3) Uani 1 1 d . . . . .
N4 N 0.9244(9) 0.6879(8) 0.3455(9) 0.032(3) Uani 1 1 d . . . . .
H4C H 0.9402 0.7217 0.3997 0.038 Uiso 1 1 d R U . . .
H4D H 0.8580 0.6866 0.3166 0.038 Uiso 1 1 d R U . . .
N3 N 1.0154(9) 0.5752(10) 0.2619(8) 0.034(3) Uani 1 1 d . . . . .
H3C H 0.9915 0.5224 0.2193 0.041 Uiso 1 1 d R U . . .
H3D H 1.0867 0.5870 0.2867 0.041 Uiso 1 1 d R U . . .
N2 N 0.3526(9) 0.0176(10) 0.4674(10) 0.043(4) Uani 1 1 d . . . . .
H2C H 0.3627 0.0839 0.4735 0.051 Uiso 1 1 d R U . . .
H2D H 0.3077 -0.0142 0.5028 0.051 Uiso 1 1 d R U . . .
N1 N 0.4453(10) -0.0963(10) 0.3876(8) 0.038(3) Uani 1 1 d . . . . .
H1C H 0.4599 -0.1528 0.3964 0.046 Uiso 1 1 d R U . . .
H1D H 0.4786 -0.0668 0.3449 0.046 Uiso 1 1 d R U . . .
N11 N 0.5839(11) -0.0930(12) 0.0211(10) 0.056(4) Uani 1 1 d . . . . .
H11A H 0.5638 -0.1401 -0.0259 0.067 Uiso 1 1 d R U . . .
H11B H 0.5680 -0.1249 0.0684 0.067 Uiso 1 1 d R U . . .
N12 N 0.6446(11) 0.1082(10) 0.0553(10) 0.051(4) Uani 1 1 d . . . . .
H12A H 0.6367 0.1451 0.1005 0.061 Uiso 1 1 d R U . . .
H12B H 0.6693 0.1498 0.0155 0.061 Uiso 1 1 d R U . . .
C10 C 0.726(2) 0.057(2) 0.0860(18) 0.094(8) Uani 1 1 d . U . . .
H10A H 0.7255 0.0462 0.1464 0.112 Uiso 1 1 d R U . . .
H10B H 0.8000 0.1013 0.0834 0.112 Uiso 1 1 d R U . . .
C4 C 0.3238(13) -0.1199(16) 0.3617(12) 0.055(5) Uani 1 1 d . . . . .
H4A H 0.2863 -0.1683 0.3975 0.066 Uiso 1 1 d R U . . .
H4B H 0.2960 -0.1485 0.3010 0.066 Uiso 1 1 d R U . . .
C3 C 1.0073(17) 0.6678(18) 0.2251(16) 0.078(7) Uani 1 1 d . . . . .
H3A H 0.9376 0.6500 0.1841 0.094 Uiso 1 1 d R U . . .
H3B H 1.0660 0.6965 0.1945 0.094 Uiso 1 1 d R U . . .
C9 C 0.700(2) -0.0348(17) 0.0387(17) 0.090(8) Uani 1 1 d . . . . .
H9A H 0.7205 -0.0223 -0.0169 0.108 Uiso 1 1 d R U . . .
H9B H 0.7403 -0.0726 0.0680 0.108 Uiso 1 1 d R U . . .
C7 C 0.402(2) 0.641(2) 0.0311(17) 0.094(8) Uani 1 1 d D U . . .
H7A H 0.4422 0.6829 -0.0077 0.113 Uiso 1 1 d R U . . .
H7B H 0.3749 0.6798 0.0661 0.113 Uiso 1 1 d R U . . .
N6 N 0.625(3) 0.506(3) 0.084(2) 0.180(13) Uani 1 1 d . U . . .
H6A H 0.6054 0.4696 0.1284 0.215 Uiso 1 1 d R U . . .
H6B H 0.6682 0.5706 0.1066 0.215 Uiso 1 1 d R U . . .
C2 C 0.3028(14) -0.0285(16) 0.3769(15) 0.070(6) Uani 1 1 d . . . . .
H2A H 0.3361 0.0180 0.3381 0.084 Uiso 1 1 d R U . . .
H2B H 0.2245 -0.0421 0.3644 0.084 Uiso 1 1 d R U . . .
N5 N 0.481(2) 0.593(2) 0.089(2) 0.154(11) Uani 1 1 d D . . . .
H5A H 0.5464 0.6407 0.1174 0.185 Uiso 1 1 d R U . . .
H5B H 0.4462 0.5580 0.1288 0.185 Uiso 1 1 d R U . . .
C1 C 1.0128(16) 0.7390(13) 0.2953(15) 0.062(6) Uani 1 1 d . . . . .
H1A H 1.0847 0.7606 0.3338 0.074 Uiso 1 1 d R U . . .
H1B H 1.0023 0.7975 0.2728 0.074 Uiso 1 1 d R U . . .
O29 O 0.8907(7) 0.6287(8) 0.5950(7) 0.035(3) Uani 1 1 d . . . . .
O28 O 0.7431(7) 0.7635(7) 0.4721(7) 0.034(3) Uani 1 1 d . . . . .
O27 O 0.6188(8) 0.5437(10) 0.5829(8) 0.054(3) Uani 1 1 d . . . . .
O26 O 1.0238(8) 0.8409(8) 0.5036(7) 0.040(3) Uani 1 1 d . . . . .
O25 O 0.7701(8) 0.7706(9) 0.6950(8) 0.049(3) Uani 1 1 d . . . . .
O24 O 1.0330(8) 0.8407(9) 0.7352(8) 0.049(3) Uani 1 1 d . . . . .
O23 O 0.7394(9) 0.4102(9) 0.6934(8) 0.050(3) Uani 1 1 d . . . . .
O22 O 0.9278(9) 0.6700(11) 0.8139(9) 0.069(4) Uani 1 1 d . . . . .
O21 O 0.6395(13) 0.5525(13) 0.7966(11) 0.091(5) Uani 1 1 d . U . . .
O20 O 0.9519(16) 0.9907(15) 0.6132(13) 0.118(6) Uani 1 1 d . U . . .
O6W O 0.4962(8) 0.3210(8) 0.6890(7) 0.043(3) Uani 1 1 d . . . . .
O5W O 0.4316(11) -0.0521(10) 0.1487(8) 0.064(4) Uani 1 1 d . . . . .
O4W O 0.5663(15) -0.1553(11) 0.2186(9) 0.087(5) Uani 1 1 d . . . . .
O3W O 0.1797(13) 0.1318(12) 0.1281(11) 0.089(5) Uani 1 1 d . U . . .
O7W O 0.3497(17) 0.3357(16) 0.0270(14) 0.133(7) Uani 1 1 d . U . . .
C13 C 0.312(3) 0.551(2) -0.021(2) 0.133(11) Uani 1 1 d . U . . .
H13A H 0.2582 0.5712 -0.0589 0.159 Uiso 1 1 calc R U . . .
H13B H 0.2752 0.5049 0.0170 0.159 Uiso 1 1 calc R U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O12 1.809(8) . ?
Ta1 O9 1.931(8) . ?
Ta1 O5 1.932(9) . ?
Ta1 O18 2.065(8) . ?
Ta1 O17 2.074(8) . ?
Ta1 O16 2.321(7) . ?
Ta1 Cu1 3.085(2) . ?
Ta1 Ta2 3.3029(7) . ?
Ta1 Ta3 3.3075(8) . ?
Ta2 O11 1.787(9) . ?
Ta2 O2 1.956(9) . ?
Ta2 O13 1.963(8) . ?
Ta2 O5 2.000(9) . ?
Ta2 O14 2.024(9) . ?
Ta2 O16 2.377(8) . ?
Ta2 Ta6 3.3118(9) . ?
Ta2 Ta4 3.3326(8) . ?
Ta2 Ta3 3.3410(7) . ?
Ta3 O7 1.788(9) . ?
Ta3 O13 1.965(8) . ?
Ta3 O3 1.972(9) . ?
Ta3 O9 1.982(9) . ?
Ta3 O8 2.020(9) . ?
Ta3 O16 2.389(8) . ?
Ta3 Ta5 3.3244(9) . ?
Ta3 Ta6 3.3467(8) . ?
Ta4 O6 1.790(9) . ?
Ta4 O14 1.935(9) . ?
Ta4 O10 1.942(9) . ?
Ta4 O15 2.056(8) . ?
Ta4 O18 2.085(8) . ?
Ta4 O16 2.369(8) . ?
Ta4 Cu1 3.0754(19) . ?
Ta4 Ta6 3.3253(8) . ?
Ta5 O19 1.807(9) . ?
Ta5 O8 1.901(10) . ?
Ta5 O4 1.936(9) . ?
Ta5 O15 2.062(9) . ?
Ta5 O17 2.076(8) . ?
Ta5 O16 2.369(8) . ?
Ta5 Cu1 3.067(2) . ?
Ta5 Ta6 3.3402(8) . ?
Ta6 O1 1.776(10) . ?
Ta6 O2 1.959(10) . ?
Ta6 O3 1.973(10) . ?
Ta6 O10 1.993(10) . ?
Ta6 O4 2.033(9) . ?
Ta6 O16 2.408(7) . ?
Cu1 O12 1.918(8) 2_766 ?
Cu1 O15 1.981(9) . ?
Cu1 O17 1.984(8) . ?
Cu1 O18 1.999(8) . ?
Cu1 N3 2.059(12) . ?
Cu1 N4 2.069(11) . ?
Cu2 N1 2.015(12) . ?
Cu2 N1 2.015(12) 2_656 ?
Cu2 N2 2.021(11) . ?
Cu2 N2 2.021(11) 2_656 ?
Cu3 N12 1.985(13) 2_655 ?
Cu3 N12 1.985(13) . ?
Cu3 N11 2.002(14) 2_655 ?
Cu3 N11 2.002(14) . ?
Cu4 N6 1.88(3) . ?
Cu4 N6 1.88(3) 2_665 ?
Cu4 N5 1.98(3) 2_665 ?
Cu4 N5 1.98(3) . ?
Na1 O27 2.276(12) . ?
Na1 O22 2.380(13) . ?
Na1 O29 2.426(11) . ?
Na1 O21 2.426(18) . ?
Na1 O25 2.496(14) . ?
Na1 O23 2.499(14) . ?
Na1 Na2 3.430(10) . ?
Na2 O28 2.369(11) . ?
Na2 O25 2.376(13) . ?
Na2 O26 2.381(12) . ?
Na2 O29 2.425(12) . ?
Na2 O24 2.479(12) . ?
Na2 O20 2.52(2) . ?
O12 Cu1 1.918(8) 2_766 ?
N4 C1 1.51(2) . ?
N3 C3 1.49(2) . ?
N2 C2 1.45(2) . ?
N1 C4 1.487(19) . ?
N11 C9 1.42(3) . ?
N12 C10 1.52(3) . ?
C10 C9 1.37(3) . ?
C4 C2 1.44(3) . ?
C3 C1 1.43(3) . ?
C7 C13 1.47(3) . ?
C7 N5 1.60(3) . ?
N6 C13 1.73(4) 2_665 ?
C13 N6 1.73(4) 2_665 ?

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
O12 Ta1 O9 102.7(4) . . ?
O12 Ta1 O5 102.5(4) . . ?
O9 Ta1 O5 93.3(4) . . ?
O12 Ta1 O18 100.6(3) . . ?
O9 Ta1 O18 155.2(4) . . ?
O5 Ta1 O18 89.9(3) . . ?
O12 Ta1 O17 100.9(3) . . ?
O9 Ta1 O17 89.8(4) . . ?
O5 Ta1 O17 155.2(3) . . ?
O18 Ta1 O17 77.5(3) . . ?
O12 Ta1 O16 177.4(3) . . ?
O9 Ta1 O16 78.9(3) . . ?
O5 Ta1 O16 79.4(3) . . ?
O18 Ta1 O16 77.5(3) . . ?
O17 Ta1 O16 77.0(3) . . ?
O12 Ta1 Cu1 94.7(3) . . ?
O9 Ta1 Cu1 128.9(3) . . ?
O5 Ta1 Cu1 129.4(3) . . ?
O18 Ta1 Cu1 39.8(2) . . ?
O17 Ta1 Cu1 39.4(2) . . ?
O16 Ta1 Cu1 82.7(2) . . ?
O12 Ta1 Ta2 135.9(3) . . ?
O9 Ta1 Ta2 83.7(2) . . ?
O5 Ta1 Ta2 33.5(3) . . ?
O18 Ta1 Ta2 85.6(2) . . ?
O17 Ta1 Ta2 122.9(2) . . ?
O16 Ta1 Ta2 46.03(19) . . ?
Cu1 Ta1 Ta2 115.23(4) . . ?
O12 Ta1 Ta3 135.4(3) . . ?
O9 Ta1 Ta3 32.8(3) . . ?
O5 Ta1 Ta3 84.6(3) . . ?
O18 Ta1 Ta3 123.6(2) . . ?
O17 Ta1 Ta3 84.8(2) . . ?
O16 Ta1 Ta3 46.23(19) . . ?
Cu1 Ta1 Ta3 114.74(4) . . ?
Ta2 Ta1 Ta3 60.718(15) . . ?
O11 Ta2 O2 103.0(4) . . ?
O11 Ta2 O13 101.9(4) . . ?
O2 Ta2 O13 88.8(4) . . ?
O11 Ta2 O5 101.4(4) . . ?
O2 Ta2 O5 155.4(4) . . ?
O13 Ta2 O5 88.4(4) . . ?
O11 Ta2 O14 103.7(4) . . ?
O2 Ta2 O14 87.9(4) . . ?
O13 Ta2 O14 154.3(4) . . ?
O5 Ta2 O14 84.1(4) . . ?
O11 Ta2 O16 178.0(3) . . ?
O2 Ta2 O16 78.8(3) . . ?
O13 Ta2 O16 77.3(3) . . ?
O5 Ta2 O16 76.7(3) . . ?
O14 Ta2 O16 77.0(3) . . ?
O11 Ta2 Ta1 133.5(3) . . ?
O2 Ta2 Ta1 123.5(3) . . ?
O13 Ta2 Ta1 79.5(2) . . ?
O5 Ta2 Ta1 32.2(3) . . ?
O14 Ta2 Ta1 81.1(2) . . ?
O16 Ta2 Ta1 44.63(18) . . ?
O11 Ta2 Ta6 135.2(3) . . ?
O2 Ta2 Ta6 32.2(3) . . ?
O13 Ta2 Ta6 81.3(3) . . ?
O5 Ta2 Ta6 123.3(3) . . ?
O14 Ta2 Ta6 82.4(3) . . ?
O16 Ta2 Ta6 46.60(18) . . ?
Ta1 Ta2 Ta6 91.207(18) . . ?
O11 Ta2 Ta4 135.5(3) . . ?
O2 Ta2 Ta4 79.9(3) . . ?
O13 Ta2 Ta4 122.6(3) . . ?
O5 Ta2 Ta4 81.0(3) . . ?
O14 Ta2 Ta4 31.8(2) . . ?
O16 Ta2 Ta4 45.30(19) . . ?
Ta1 Ta2 Ta4 62.247(15) . . ?
Ta6 Ta2 Ta4 60.060(18) . . ?
O11 Ta2 Ta3 133.6(3) . . ?
O2 Ta2 Ta3 82.2(3) . . ?
O13 Ta2 Ta3 31.7(3) . . ?
O5 Ta2 Ta3 82.7(2) . . ?
O14 Ta2 Ta3 122.6(2) . . ?
O16 Ta2 Ta3 45.63(19) . . ?
Ta1 Ta2 Ta3 59.709(16) . . ?
Ta6 Ta2 Ta3 60.402(17) . . ?
Ta4 Ta2 Ta3 90.89(2) . . ?
O7 Ta3 O13 103.0(4) . . ?
O7 Ta3 O3 102.8(4) . . ?
O13 Ta3 O3 88.1(4) . . ?
O7 Ta3 O9 103.0(4) . . ?
O13 Ta3 O9 87.7(4) . . ?
O3 Ta3 O9 154.2(4) . . ?
O7 Ta3 O8 103.7(4) . . ?
O13 Ta3 O8 153.2(4) . . ?
O3 Ta3 O8 87.4(4) . . ?
O9 Ta3 O8 84.9(4) . . ?
O7 Ta3 O16 179.2(4) . . ?
O13 Ta3 O16 77.0(3) . . ?
O3 Ta3 O16 77.9(3) . . ?
O9 Ta3 O16 76.3(3) . . ?
O8 Ta3 O16 76.2(3) . . ?
O7 Ta3 Ta1 134.7(3) . . ?
O13 Ta3 Ta1 79.4(3) . . ?
O3 Ta3 Ta1 122.5(3) . . ?
O9 Ta3 Ta1 31.8(2) . . ?
O8 Ta3 Ta1 80.9(3) . . ?
O16 Ta3 Ta1 44.55(18) . . ?
O7 Ta3 Ta5 134.5(3) . . ?
O13 Ta3 Ta5 122.4(3) . . ?
O3 Ta3 Ta5 79.4(3) . . ?
O9 Ta3 Ta5 81.4(3) . . ?
O8 Ta3 Ta5 30.9(2) . . ?
O16 Ta3 Ta5 45.44(19) . . ?
Ta1 Ta3 Ta5 62.450(18) . . ?
O7 Ta3 Ta2 134.7(3) . . ?
O13 Ta3 Ta2 31.7(3) . . ?
O3 Ta3 Ta2 81.2(3) . . ?
O9 Ta3 Ta2 81.9(2) . . ?
O8 Ta3 Ta2 121.6(3) . . ?
O16 Ta3 Ta2 45.35(19) . . ?
Ta1 Ta3 Ta2 59.574(16) . . ?
Ta5 Ta3 Ta2 90.73(2) . . ?
O7 Ta3 Ta6 134.7(3) . . ?
O13 Ta3 Ta6 80.3(3) . . ?
O3 Ta3 Ta6 32.0(3) . . ?
O9 Ta3 Ta6 122.3(2) . . ?
O8 Ta3 Ta6 82.0(3) . . ?
O16 Ta3 Ta6 46.01(18) . . ?
Ta1 Ta3 Ta6 90.51(2) . . ?
Ta5 Ta3 Ta6 60.091(18) . . ?
Ta2 Ta3 Ta6 59.368(17) . . ?
O6 Ta4 O14 104.3(4) . . ?
O6 Ta4 O10 103.3(4) . . ?
O14 Ta4 O10 92.8(4) . . ?
O6 Ta4 O15 100.1(4) . . ?
O14 Ta4 O15 154.2(4) . . ?
O10 Ta4 O15 89.7(4) . . ?
O6 Ta4 O18 101.2(4) . . ?
O14 Ta4 O18 89.5(3) . . ?
O10 Ta4 O18 154.0(3) . . ?
O15 Ta4 O18 77.5(3) . . ?
O6 Ta4 O16 175.9(3) . . ?
O14 Ta4 O16 78.9(3) . . ?
O10 Ta4 O16 79.0(3) . . ?
O15 Ta4 O16 76.5(3) . . ?
O18 Ta4 O16 76.0(3) . . ?
O6 Ta4 Cu1 93.8(3) . . ?
O14 Ta4 Cu1 129.3(3) . . ?
O10 Ta4 Cu1 128.8(3) . . ?
O15 Ta4 Cu1 39.5(2) . . ?
O18 Ta4 Cu1 40.1(2) . . ?
O16 Ta4 Cu1 82.20(18) . . ?
O6 Ta4 Ta6 136.0(3) . . ?
O14 Ta4 Ta6 83.3(3) . . ?
O10 Ta4 Ta6 32.8(3) . . ?
O15 Ta4 Ta6 85.1(3) . . ?
O18 Ta4 Ta6 122.3(2) . . ?
O16 Ta4 Ta6 46.38(18) . . ?
Cu1 Ta4 Ta6 114.96(4) . . ?
O6 Ta4 Ta2 137.7(3) . . ?
O14 Ta4 Ta2 33.5(2) . . ?
O10 Ta4 Ta2 83.3(3) . . ?
O15 Ta4 Ta2 121.9(2) . . ?
O18 Ta4 Ta2 84.5(2) . . ?
O16 Ta4 Ta2 45.50(19) . . ?
Cu1 Ta4 Ta2 114.64(4) . . ?
Ta6 Ta4 Ta2 59.660(19) . . ?
O19 Ta5 O8 102.9(4) . . ?
O19 Ta5 O4 103.9(4) . . ?
O8 Ta5 O4 93.5(4) . . ?
O19 Ta5 O15 101.3(4) . . ?
O8 Ta5 O15 154.1(4) . . ?
O4 Ta5 O15 89.5(4) . . ?
O19 Ta5 O17 100.3(4) . . ?
O8 Ta5 O17 89.4(4) . . ?
O4 Ta5 O17 154.3(4) . . ?
O15 Ta5 O17 77.2(3) . . ?
O19 Ta5 O16 175.9(4) . . ?
O8 Ta5 O16 78.9(3) . . ?
O4 Ta5 O16 79.6(3) . . ?
O15 Ta5 O16 76.4(3) . . ?
O17 Ta5 O16 75.9(3) . . ?
O19 Ta5 Cu1 93.6(3) . . ?
O8 Ta5 Cu1 129.0(3) . . ?
O4 Ta5 Cu1 129.0(3) . . ?
O15 Ta5 Cu1 39.7(2) . . ?
O17 Ta5 Cu1 39.8(2) . . ?
O16 Ta5 Cu1 82.37(19) . . ?
O19 Ta5 Ta3 136.0(3) . . ?
O8 Ta5 Ta3 33.1(2) . . ?
O4 Ta5 Ta3 84.3(3) . . ?
O15 Ta5 Ta3 122.1(2) . . ?
O17 Ta5 Ta3 84.3(2) . . ?
O16 Ta5 Ta3 45.91(19) . . ?
Cu1 Ta5 Ta3 114.75(4) . . ?
O19 Ta5 Ta6 137.5(3) . . ?
O8 Ta5 Ta6 83.8(2) . . ?
O4 Ta5 Ta6 33.6(3) . . ?
O15 Ta5 Ta6 84.6(2) . . ?
O17 Ta5 Ta6 121.9(2) . . ?
O16 Ta5 Ta6 46.13(18) . . ?
Cu1 Ta5 Ta6 114.76(4) . . ?
Ta3 Ta5 Ta6 60.286(17) . . ?
O1 Ta6 O2 104.3(4) . . ?
O1 Ta6 O3 103.4(5) . . ?
O2 Ta6 O3 89.7(4) . . ?
O1 Ta6 O10 101.9(5) . . ?
O2 Ta6 O10 88.9(4) . . ?
O3 Ta6 O10 154.2(4) . . ?
O1 Ta6 O4 100.8(4) . . ?
O2 Ta6 O4 154.7(4) . . ?
O3 Ta6 O4 87.4(4) . . ?
O10 Ta6 O4 83.1(4) . . ?
O1 Ta6 O16 177.5(4) . . ?
O2 Ta6 O16 78.0(3) . . ?
O3 Ta6 O16 77.4(3) . . ?
O10 Ta6 O16 77.1(3) . . ?
O4 Ta6 O16 76.8(3) . . ?
O1 Ta6 Ta2 136.5(3) . . ?
O2 Ta6 Ta2 32.2(3) . . ?
O3 Ta6 Ta2 82.0(3) . . ?
O10 Ta6 Ta2 83.2(3) . . ?
O4 Ta6 Ta2 122.6(3) . . ?
O16 Ta6 Ta2 45.82(19) . . ?
O1 Ta6 Ta4 133.7(4) . . ?
O2 Ta6 Ta4 80.1(3) . . ?
O3 Ta6 Ta4 122.9(3) . . ?
O10 Ta6 Ta4 31.8(3) . . ?
O4 Ta6 Ta4 80.5(3) . . ?
O16 Ta6 Ta4 45.41(19) . . ?
Ta2 Ta6 Ta4 60.280(17) . . ?
O1 Ta6 Ta5 132.5(3) . . ?
O2 Ta6 Ta5 123.2(3) . . ?
O3 Ta6 Ta5 78.9(3) . . ?
O10 Ta6 Ta5 80.4(2) . . ?
O4 Ta6 Ta5 31.8(3) . . ?
O16 Ta6 Ta5 45.17(18) . . ?
Ta2 Ta6 Ta5 90.966(18) . . ?
Ta4 Ta6 Ta5 62.042(16) . . ?
O1 Ta6 Ta3 135.3(4) . . ?
O2 Ta6 Ta3 82.0(3) . . ?
O3 Ta6 Ta3 32.0(3) . . ?
O10 Ta6 Ta3 122.6(3) . . ?
O4 Ta6 Ta3 82.3(3) . . ?
O16 Ta6 Ta3 45.52(19) . . ?
Ta2 Ta6 Ta3 60.230(17) . . ?
Ta4 Ta6 Ta3 90.91(2) . . ?
Ta5 Ta6 Ta3 59.624(17) . . ?
O12 Cu1 O15 176.3(4) 2_766 . ?
O12 Cu1 O17 95.8(4) 2_766 . ?
O15 Cu1 O17 81.3(4) . . ?
O12 Cu1 O18 96.1(3) 2_766 . ?
O15 Cu1 O18 81.2(3) . . ?
O17 Cu1 O18 81.1(3) . . ?
O12 Cu1 N3 90.8(4) 2_766 . ?
O15 Cu1 N3 91.8(4) . . ?
O17 Cu1 N3 96.6(4) . . ?
O18 Cu1 N3 172.9(4) . . ?
O12 Cu1 N4 90.1(4) 2_766 . ?
O15 Cu1 N4 92.9(4) . . ?
O17 Cu1 N4 174.1(4) . . ?
O18 Cu1 N4 99.0(4) . . ?
N3 Cu1 N4 82.6(5) . . ?
O12 Cu1 Ta5 136.2(3) 2_766 . ?
O15 Cu1 Ta5 41.6(3) . . ?
O17 Cu1 Ta5 42.1(2) . . ?
O18 Cu1 Ta5 89.3(2) . . ?
N3 Cu1 Ta5 84.5(4) . . ?
N4 Cu1 Ta5 132.0(3) . . ?
O12 Cu1 Ta4 136.8(3) 2_766 . ?
O15 Cu1 Ta4 41.3(2) . . ?
O17 Cu1 Ta4 89.0(2) . . ?
O18 Cu1 Ta4 42.2(2) . . ?
N3 Cu1 Ta4 131.4(3) . . ?
N4 Cu1 Ta4 87.2(3) . . ?
Ta5 Cu1 Ta4 68.00(4) . . ?
O12 Cu1 Ta1 88.1(3) 2_766 . ?
O15 Cu1 Ta1 88.2(3) . . ?
O17 Cu1 Ta1 41.6(2) . . ?
O18 Cu1 Ta1 41.4(2) . . ?
N3 Cu1 Ta1 137.6(3) . . ?
N4 Cu1 Ta1 139.8(4) . . ?
Ta5 Cu1 Ta1 67.95(5) . . ?
Ta4 Cu1 Ta1 67.66(4) . . ?
N1 Cu2 N1 180.0 . 2_656 ?
N1 Cu2 N2 84.7(5) . . ?
N1 Cu2 N2 95.3(5) 2_656 . ?
N1 Cu2 N2 95.3(5) . 2_656 ?
N1 Cu2 N2 84.7(5) 2_656 2_656 ?
N2 Cu2 N2 180.0 . 2_656 ?
N12 Cu3 N12 180.0 2_655 . ?
N12 Cu3 N11 84.3(5) 2_655 2_655 ?
N12 Cu3 N11 95.7(5) . 2_655 ?
N12 Cu3 N11 95.7(5) 2_655 . ?
N12 Cu3 N11 84.3(5) . . ?
N11 Cu3 N11 180.0 2_655 . ?
N6 Cu4 N6 180.0 . 2_665 ?
N6 Cu4 N5 94.9(12) . 2_665 ?
N6 Cu4 N5 85.1(12) 2_665 2_665 ?
N6 Cu4 N5 85.1(12) . . ?
N6 Cu4 N5 94.9(12) 2_665 . ?
N5 Cu4 N5 180.0 2_665 . ?
O27 Na1 O22 172.1(6) . . ?
O27 Na1 O29 89.7(4) . . ?
O22 Na1 O29 88.1(4) . . ?
O27 Na1 O21 88.2(5) . . ?
O22 Na1 O21 94.2(6) . . ?
O29 Na1 O21 177.3(5) . . ?
O27 Na1 O25 88.2(5) . . ?
O22 Na1 O25 84.2(5) . . ?
O29 Na1 O25 88.8(4) . . ?
O21 Na1 O25 92.9(5) . . ?
O27 Na1 O23 85.3(5) . . ?
O22 Na1 O23 102.4(5) . . ?
O29 Na1 O23 94.7(4) . . ?
O21 Na1 O23 83.4(5) . . ?
O25 Na1 O23 172.6(4) . . ?
O27 Na1 Na2 89.0(4) . . ?
O22 Na1 Na2 84.1(4) . . ?
O29 Na1 Na2 45.0(3) . . ?
O21 Na1 Na2 136.7(5) . . ?
O25 Na1 Na2 43.8(3) . . ?
O23 Na1 Na2 139.4(4) . . ?
O28 Na2 O25 91.9(4) . . ?
O28 Na2 O26 91.4(4) . . ?
O25 Na2 O26 175.6(5) . . ?
O28 Na2 O29 96.0(4) . . ?
O25 Na2 O29 91.7(4) . . ?
O26 Na2 O29 91.0(4) . . ?
O28 Na2 O24 173.3(4) . . ?
O25 Na2 O24 81.7(4) . . ?
O26 Na2 O24 94.9(4) . . ?
O29 Na2 O24 86.2(4) . . ?
O28 Na2 O20 98.0(6) . . ?
O25 Na2 O20 96.3(6) . . ?
O26 Na2 O20 80.3(6) . . ?
O29 Na2 O20 163.6(6) . . ?
O24 Na2 O20 80.8(6) . . ?
O28 Na2 Na1 96.2(3) . . ?
O25 Na2 Na1 46.7(3) . . ?
O26 Na2 Na1 135.8(3) . . ?
O29 Na2 Na1 45.0(3) . . ?
O24 Na2 Na1 80.9(4) . . ?
O20 Na2 Na1 140.7(5) . . ?
Cu1 O18 Ta1 98.8(3) . . ?
Cu1 O18 Ta4 97.7(4) . . ?
Ta1 O18 Ta4 111.5(4) . . ?
Cu1 O17 Ta1 98.9(3) . . ?
Cu1 O17 Ta5 98.1(3) . . ?
Ta1 O17 Ta5 111.9(3) . . ?
Ta1 O16 Ta5 94.3(3) . . ?
Ta1 O16 Ta4 94.0(3) . . ?
Ta5 O16 Ta4 92.9(3) . . ?
Ta1 O16 Ta2 89.3(3) . . ?
Ta5 O16 Ta2 175.7(4) . . ?
Ta4 O16 Ta2 89.2(2) . . ?
Ta1 O16 Ta3 89.2(3) . . ?
Ta5 O16 Ta3 88.6(2) . . ?
Ta4 O16 Ta3 176.3(3) . . ?
Ta2 O16 Ta3 89.0(3) . . ?
Ta1 O16 Ta6 176.2(4) . . ?
Ta5 O16 Ta6 88.7(3) . . ?
Ta4 O16 Ta6 88.2(2) . . ?
Ta2 O16 Ta6 87.6(2) . . ?
Ta3 O16 Ta6 88.5(3) . . ?
Cu1 O15 Ta4 99.2(4) . . ?
Cu1 O15 Ta5 98.7(4) . . ?
Ta4 O15 Ta5 113.0(4) . . ?
Ta4 O14 Ta2 114.6(4) . . ?
Ta2 O13 Ta3 116.6(5) . . ?
Ta1 O12 Cu1 177.2(5) . 2_766 ?
Ta4 O10 Ta6 115.4(5) . . ?
Ta1 O9 Ta3 115.4(4) . . ?
Ta5 O8 Ta3 116.0(4) . . ?
Ta1 O5 Ta2 114.3(5) . . ?
Ta5 O4 Ta6 114.6(5) . . ?
Ta3 O3 Ta6 116.1(5) . . ?
Ta2 O2 Ta6 115.5(4) . . ?
C1 N4 Cu1 107.6(9) . . ?
C3 N3 Cu1 108.4(10) . . ?
C2 N2 Cu2 107.3(10) . . ?
C4 N1 Cu2 106.3(10) . . ?
C9 N11 Cu3 109.1(13) . . ?
C10 N12 Cu3 107.7(13) . . ?
C9 C10 N12 113(2) . . ?
C2 C4 N1 108.8(15) . . ?
C1 C3 N3 109.0(17) . . ?
C10 C9 N11 113(2) . . ?
C13 C7 N5 103(2) . . ?
C13 N6 Cu4 100.7(19) 2_665 . ?
C4 C2 N2 110.0(17) . . ?
C7 N5 Cu4 102.3(18) . . ?
C3 C1 N4 108.7(15) . . ?
Na1 O29 Na2 90.0(4) . . ?
Na2 O25 Na1 89.5(4) . . ?
C7 C13 N6 106(2) . 2_665 ?

_refine_diff_density_max         3.673
_refine_diff_density_min         -2.640
_refine_diff_density_rms         0.308

_shelxl_version_number           2014-3

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.002 0.000 540.3 92.4
_platon_squeeze_details          
; ?
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1866076'
loop_
_audit_author_name
_audit_author_address
'Li Z'
;FuZhou university
China
;
_audit_update_record             
;
2019-07-18 deposited with the CCDC.	2019-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H80 Cu7 N20 O52 Ta12'
_chemical_formula_weight         4049.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   27.114(5)
_cell_length_b                   27.532(5)
_cell_length_c                   18.723(4)
_cell_angle_alpha                90
_cell_angle_beta                 129.823(2)
_cell_angle_gamma                90
_cell_volume                     10735(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4132
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      24.93

_exptl_crystal_description       block
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.456
_exptl_crystal_F_000             7020
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    13.600
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.6274
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23018
_diffrn_reflns_av_unetI/netI     0.0743
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.048
_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             9596
_reflns_number_gt                6335
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0423P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9596
_refine_ls_number_parameters     508
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1022
_refine_ls_wR_factor_gt          0.0932
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.24633(3) 0.18999(2) 0.90806(3) 0.02243(13) Uani 1 1 d . . . . .
Ta2 Ta 0.16014(3) 0.13178(2) 0.70662(4) 0.02560(14) Uani 1 1 d . . . . .
Ta3 Ta 0.24239(3) 0.18391(2) 0.65149(4) 0.02924(15) Uani 1 1 d . . . . .
Ta4 Ta 0.32110(2) 0.12530(2) 0.85344(4) 0.02404(14) Uani 1 1 d . . . . .
Ta5 Ta 0.33201(2) 0.24506(2) 0.85148(4) 0.02292(13) Uani 1 1 d . . . . .
Ta6 Ta 0.16680(3) 0.25264(2) 0.70125(4) 0.02442(13) Uani 1 1 d . . . . .
Cu1 Cu 0.25533(10) 0.30122(6) 0.89411(14) 0.0501(5) Uani 1 1 d . . . . .
Cu2 Cu 0.27183(12) 0.5000 0.23001(16) 0.0361(6) Uani 1 2 d S T P . .
Cu3 Cu 0.0000 0.32202(9) 0.0000 0.0453(6) Uani 1 2 d S T P . .
Cu4 Cu 0.22813(12) 0.16760(6) 0.44400(14) 0.0601(6) Uani 1 1 d . . . . .
Cu5 Cu 0.0000 0.20289(8) 0.5000 0.0401(6) Uani 1 2 d S T P . .
O1 O 0.1888(4) 0.2494(2) 0.8293(6) 0.0233(18) Uani 1 1 d . . . . .
O2 O 0.3119(4) 0.2435(3) 0.9418(5) 0.0242(19) Uani 1 1 d . . . . .
O3 O 0.2452(4) 0.1905(2) 0.7801(5) 0.0187(17) Uani 1 1 d . . . . .
O4 O 0.3098(4) 0.1413(3) 0.9465(5) 0.0266(19) Uani 1 1 d . . . . .
O5 O 0.2461(5) 0.1934(3) 1.0042(6) 0.033(2) Uani 1 1 d . . . . .
O6 O 0.1730(4) 0.1402(3) 0.6144(5) 0.032(2) Uani 1 1 d . . . . .
O7 O 0.2535(4) 0.2898(3) 0.7875(5) 0.0222(18) Uani 1 1 d . . . . .
O8 O 0.1833(4) 0.2412(3) 0.6161(5) 0.0273(19) Uani 1 1 d . . . . .
O9 O 0.1144(4) 0.1960(3) 0.6620(6) 0.031(2) Uani 1 1 d . . . . .
O10 O 0.3066(4) 0.1342(3) 0.7365(6) 0.033(2) Uani 1 1 d . . . . .
O11 O 0.2375(4) 0.0912(3) 0.7818(6) 0.0271(19) Uani 1 1 d . . . . .
O12 O 0.1747(4) 0.1484(3) 0.8232(6) 0.030(2) Uani 1 1 d . . . . .
O13 O 0.3784(4) 0.0770(3) 0.9090(6) 0.034(2) Uani 1 1 d . . . . .
O14 O 0.3776(4) 0.1839(3) 0.9025(6) 0.030(2) Uani 1 1 d . . . . .
O15 O 0.1103(4) 0.3023(3) 0.6471(7) 0.042(2) Uani 1 1 d . . . . .
O16 O 0.3121(4) 0.2346(3) 0.7337(6) 0.033(2) Uani 1 1 d . . . . .
O17 O 0.3954(4) 0.2889(3) 0.9074(6) 0.034(2) Uani 1 1 d . . . . .
O18 O 0.0953(4) 0.0894(3) 0.6510(6) 0.038(2) Uani 1 1 d . . . . .
O19 O 0.2393(5) 0.1820(3) 0.5513(6) 0.043(3) Uani 1 1 d . . . . .
O23 O 0.3231(5) 0.2064(3) 0.5093(7) 0.052(3) Uani 1 1 d . . . . .
N14 N 0.3400(9) 0.5000 0.2187(12) 0.047(5) Uani 1 2 d S T P . .
H14A H 0.3649 0.4735 0.2474 0.056 Uiso 0.5 1 d R U P . .
H14B H 0.3649 0.5264 0.2474 0.056 Uiso 0.5 1 d R U P . .
O24 O 0.1673(5) 0.2249(3) 0.3732(7) 0.054(3) Uani 1 1 d . . . . .
N12 N 0.0090(6) 0.2736(4) 0.0886(9) 0.052(3) Uani 1 1 d . . . . .
H12C H 0.0394 0.2514 0.1065 0.062 Uiso 1 1 d R U . . .
H12D H -0.0284 0.2582 0.0620 0.062 Uiso 1 1 d R U . . .
O1W O 0.3991(5) 0.2446(4) 1.1376(8) 0.063(3) Uani 1 1 d . . . . .
N11 N 0.3265(6) 0.3527(4) 0.9530(8) 0.043(3) Uani 1 1 d . . . . .
H11C H 0.3480 0.3493 0.9315 0.051 Uiso 1 1 d R U . . .
H11D H 0.3543 0.3490 1.0151 0.051 Uiso 1 1 d R U . . .
N10 N 0.1993(7) 0.3625(4) 0.8324(9) 0.050(3) Uani 1 1 d . . . . .
H10C H 0.1775 0.3671 0.8531 0.060 Uiso 1 1 d R U . . .
H10D H 0.1705 0.3578 0.7705 0.060 Uiso 1 1 d R U . . .
N9 N 0.0194(6) 0.2527(5) 0.4422(8) 0.057(4) Uani 1 1 d . . . . .
H9C H 0.0572 0.2673 0.4866 0.069 Uiso 1 1 d R U . . .
H9D H -0.0116 0.2755 0.4131 0.069 Uiso 1 1 d R U . . .
N8 N 0.2108(9) 0.5000 0.0899(12) 0.051(5) Uani 1 2 d S T P . .
H8C H 0.1855 0.5264 0.0687 0.061 Uiso 0.5 1 d R U P . .
H8D H 0.1855 0.4735 0.0687 0.061 Uiso 0.5 1 d R U P . .
N7 N 0.0246(6) 0.1551(4) 0.4471(8) 0.046(3) Uani 1 1 d . . . . .
H7C H -0.0089 0.1356 0.4061 0.055 Uiso 1 1 d R U . . .
H7D H 0.0574 0.1365 0.4929 0.055 Uiso 1 1 d R U . . .
N6 N 0.2052(9) 0.5000 0.2456(12) 0.046(5) Uani 1 2 d S T P . .
H6C H 0.1802 0.4735 0.2178 0.055 Uiso 0.5 1 d R U P . .
H6D H 0.1802 0.5265 0.2178 0.055 Uiso 0.5 1 d R U P . .
N5 N 0.0023(7) 0.3725(5) 0.0794(10) 0.071(5) Uani 1 1 d . . . . .
H5C H -0.0285 0.3949 0.0436 0.085 Uiso 1 1 d R U . . .
H5D H 0.0407 0.3875 0.1156 0.085 Uiso 1 1 d R U . . .
N4 N 0.3368(9) 0.5000 0.3710(12) 0.058(5) Uani 1 2 d S T P . .
H4C H 0.3700 0.5196 0.3909 0.069 Uiso 0.5 1 d R U P . .
H4D H 0.3519 0.4698 0.3923 0.069 Uiso 0.5 1 d R U P . .
C12 C 0.0272(9) 0.3033(7) 0.1696(11) 0.073(6) Uani 1 1 d . . . . .
H12A H 0.0719 0.3114 0.2078 0.087 Uiso 1 1 d R U . . .
H12B H 0.0207 0.2852 0.2068 0.087 Uiso 1 1 d R U . . .
N3 N 0.2205(9) 0.1501(6) 0.3377(12) 0.094(5) Uani 1 1 d . U . . .
H3C H 0.2382 0.1737 0.3271 0.112 Uiso 1 1 d R U . . .
H3D H 0.1785 0.1482 0.2877 0.112 Uiso 1 1 d R U . . .
C11 C 0.2361(17) 0.5000 0.346(2) 0.100(11) Uani 1 2 d S T P . .
H11A H 0.2355 0.4676 0.3642 0.120 Uiso 0.5 1 d R U P . .
H11B H 0.2116 0.5204 0.3546 0.120 Uiso 0.5 1 d R U P . .
N2 N 0.2393(9) 0.0985(6) 0.4661(13) 0.102(6) Uani 1 1 d . U . . .
H2C H 0.2082 0.0875 0.4664 0.122 Uiso 1 1 d R U . . .
H2D H 0.2773 0.0933 0.5229 0.122 Uiso 1 1 d R U . . .
C10 C 0.0417(12) 0.1808(8) 0.3996(16) 0.098(7) Uani 1 1 d . U . . .
H10A H 0.0265 0.1633 0.3446 0.118 Uiso 1 1 d R U . . .
H10B H 0.0878 0.1811 0.4401 0.118 Uiso 1 1 d R U . . .
C9 C 0.0215(11) 0.2296(7) 0.3749(14) 0.086(7) Uani 1 1 d . . . . .
H9A H 0.0498 0.2473 0.3702 0.103 Uiso 1 1 d R U . . .
H9B H -0.0205 0.2298 0.3147 0.103 Uiso 1 1 d R U . . .
C8 C -0.0078(12) 0.3468(9) 0.1379(15) 0.098(7) Uani 1 1 d . . . . .
H8A H -0.0525 0.3390 0.1016 0.118 Uiso 1 1 d R U . . .
H8B H 0.0048 0.3668 0.1892 0.118 Uiso 1 1 d R U . . .
C7 C 0.245(2) 0.5000 0.056(3) 0.142(14) Uani 1 2 d S TU P . .
H7A H 0.2312 0.5280 0.0168 0.171 Uiso 0.5 1 d R U P . .
H7B H 0.2312 0.4720 0.0168 0.171 Uiso 0.5 1 d R U P . .
C6 C 0.2944(12) 0.4035(8) 0.9248(17) 0.105(7) Uani 1 1 d . U . . .
H6A H 0.3194 0.4259 0.9199 0.126 Uiso 1 1 d R U . . .
H6B H 0.2955 0.4147 0.9743 0.126 Uiso 1 1 d R U . . .
C5 C 0.2360(12) 0.4052(8) 0.8531(17) 0.103(7) Uani 1 1 d . U . . .
H5A H 0.2150 0.4328 0.8547 0.124 Uiso 1 1 d R U . . .
H5B H 0.2363 0.4100 0.8027 0.124 Uiso 1 1 d R U . . .
C4 C 0.2377(14) 0.0723(9) 0.3983(19) 0.131(8) Uani 1 1 d . U . . .
H4A H 0.1965 0.0570 0.3548 0.157 Uiso 1 1 d R U . . .
H4B H 0.2699 0.0473 0.4290 0.157 Uiso 1 1 d R U . . .
C2 C 0.311(2) 0.5000 0.119(3) 0.132(13) Uani 1 2 d S TU P . .
H2A H 0.3264 0.4719 0.1082 0.159 Uiso 0.5 1 d R U P . .
H2B H 0.3264 0.5282 0.1082 0.159 Uiso 0.5 1 d R U P . .
C1 C 0.2476(18) 0.1046(12) 0.346(2) 0.181(11) Uani 1 1 d . U . . .
H1A H 0.2929 0.1092 0.3812 0.218 Uiso 1 1 d R U . . .
H1B H 0.2301 0.0911 0.2864 0.218 Uiso 1 1 d R U . . .
O2W O 0.3695(8) 0.0853(5) 0.6875(11) 0.108(5) Uani 1 1 d . . . . .
O3W O 0.3709(8) 0.0892(5) 1.1067(10) 0.111(5) Uani 1 1 d . . . . .
O4W O 0.4186(8) 0.1368(5) 0.6043(11) 0.112(5) Uani 1 1 d . . . . .
C3 C 0.3038(18) 0.5179(11) 0.406(3) 0.072(12) Uiso 0.5 1 d . . P . .
H3A H 0.3041 0.5528 0.4066 0.087 Uiso 0.5 1 d R U P . .
H3B H 0.3263 0.5068 0.4685 0.087 Uiso 0.5 1 d R U P . .
O5W O 0.5500(10) 0.1615(6) 0.7317(14) 0.150(7) Uiso 1 1 d . . . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O5 1.807(7) . ?
Ta1 O12 1.911(8) . ?
Ta1 O4 1.921(8) . ?
Ta1 O2 2.071(8) . ?
Ta1 O1 2.082(8) . ?
Ta1 O3 2.376(7) . ?
Ta1 Cu1 3.0965(19) . ?
Ta1 Ta2 3.3113(9) . ?
Ta1 Ta4 3.3141(8) . ?
Ta2 O18 1.785(8) . ?
Ta2 O11 1.963(8) . ?
Ta2 O6 1.981(8) . ?
Ta2 O12 2.006(8) . ?
Ta2 O9 2.009(8) . ?
Ta2 O3 2.399(8) . ?
Ta2 Ta3 3.3239(8) . ?
Ta2 Ta6 3.3376(9) . ?
Ta2 Ta4 3.3569(10) . ?
Ta3 O19 1.824(7) . ?
Ta3 O6 1.950(9) . ?
Ta3 O10 1.971(9) . ?
Ta3 O8 2.034(8) . ?
Ta3 O16 2.041(9) . ?
Ta3 O3 2.367(7) . ?
Ta3 Ta6 3.3310(8) . ?
Ta3 Ta5 3.3325(9) . ?
Ta3 Ta4 3.3347(9) . ?
Ta4 O13 1.788(8) . ?
Ta4 O10 1.976(8) . ?
Ta4 O11 1.980(8) . ?
Ta4 O14 1.998(8) . ?
Ta4 O4 2.001(7) . ?
Ta4 O3 2.392(7) . ?
Ta4 Ta5 3.3128(9) . ?
Ta5 O17 1.789(8) . ?
Ta5 O16 1.926(8) . ?
Ta5 O14 1.940(8) . ?
Ta5 O7 2.054(7) . ?
Ta5 O2 2.084(7) . ?
Ta5 O3 2.358(8) . ?
Ta5 Cu1 3.0784(19) . ?
Ta6 O15 1.804(8) . ?
Ta6 O9 1.910(8) . ?
Ta6 O8 1.937(7) . ?
Ta6 O1 2.070(7) . ?
Ta6 O7 2.079(8) . ?
Ta6 O3 2.368(7) . ?
Ta6 Cu1 3.080(2) . ?
Cu1 O5 1.934(7) 7_557 ?
Cu1 O2 1.980(8) . ?
Cu1 O7 1.990(7) . ?
Cu1 O1 1.990(8) . ?
Cu1 N11 2.055(11) . ?
Cu1 N10 2.059(11) . ?
Cu2 N14 1.990(16) . ?
Cu2 N6 2.006(15) . ?
Cu2 N8 2.015(18) . ?
Cu2 N4 2.029(17) . ?
Cu3 N5 2.008(13) 2 ?
Cu3 N5 2.008(13) . ?
Cu3 N12 2.018(12) 2 ?
Cu3 N12 2.018(12) . ?
Cu4 O19 1.873(8) . ?
Cu4 N3 1.926(16) . ?
Cu4 N2 1.928(16) . ?
Cu4 O24 2.040(10) . ?
Cu4 O23 2.287(11) . ?
Cu5 N7 2.001(10) . ?
Cu5 N7 2.001(10) 2_556 ?
Cu5 N9 2.015(12) 2_556 ?
Cu5 N9 2.015(12) . ?
O5 Cu1 1.934(7) 7_557 ?
N14 C2 1.49(4) . ?
N12 C12 1.501(19) . ?
N11 C6 1.55(2) . ?
N10 C5 1.43(2) . ?
N9 C9 1.445(19) . ?
N8 C7 1.41(4) . ?
N7 C10 1.43(2) . ?
N6 C11 1.49(3) . ?
N5 C8 1.47(2) . ?
N4 C3 1.49(4) 6_565 ?
N4 C3 1.49(4) . ?
C12 C8 1.40(2) . ?
N3 C1 1.41(3) . ?
C11 C3 1.49(4) . ?
C11 C3 1.49(4) 6_565 ?
N2 C4 1.44(3) . ?
C10 C9 1.41(2) . ?
C7 C2 1.38(5) . ?
C6 C5 1.26(3) . ?
C4 C1 1.47(4) . ?
C3 C3 0.99(6) 6_565 ?

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
O5 Ta1 O12 102.1(4) . . ?
O5 Ta1 O4 103.7(3) . . ?
O12 Ta1 O4 94.7(3) . . ?
O5 Ta1 O2 102.1(3) . . ?
O12 Ta1 O2 153.7(3) . . ?
O4 Ta1 O2 89.7(3) . . ?
O5 Ta1 O1 100.7(3) . . ?
O12 Ta1 O1 88.9(3) . . ?
O4 Ta1 O1 154.0(3) . . ?
O2 Ta1 O1 76.4(3) . . ?
O5 Ta1 O3 176.6(3) . . ?
O12 Ta1 O3 79.3(3) . . ?
O4 Ta1 O3 79.1(3) . . ?
O2 Ta1 O3 76.0(3) . . ?
O1 Ta1 O3 76.2(3) . . ?
O5 Ta1 Cu1 94.8(2) . . ?
O12 Ta1 Cu1 128.0(2) . . ?
O4 Ta1 Cu1 128.4(2) . . ?
O2 Ta1 Cu1 39.1(2) . . ?
O1 Ta1 Cu1 39.4(2) . . ?
O3 Ta1 Cu1 81.96(17) . . ?
O5 Ta1 Ta2 135.2(3) . . ?
O12 Ta1 Ta2 33.2(2) . . ?
O4 Ta1 Ta2 84.2(2) . . ?
O2 Ta1 Ta2 122.3(2) . . ?
O1 Ta1 Ta2 84.9(2) . . ?
O3 Ta1 Ta2 46.39(18) . . ?
Cu1 Ta1 Ta2 114.76(4) . . ?
O5 Ta1 Ta4 136.7(3) . . ?
O12 Ta1 Ta4 85.3(2) . . ?
O4 Ta1 Ta4 33.1(2) . . ?
O2 Ta1 Ta4 84.3(2) . . ?
O1 Ta1 Ta4 122.2(2) . . ?
O3 Ta1 Ta4 46.17(16) . . ?
Cu1 Ta1 Ta4 114.12(4) . . ?
Ta2 Ta1 Ta4 60.88(2) . . ?
O18 Ta2 O11 104.3(3) . . ?
O18 Ta2 O6 103.0(4) . . ?
O11 Ta2 O6 89.3(3) . . ?
O18 Ta2 O12 102.6(4) . . ?
O11 Ta2 O12 88.5(3) . . ?
O6 Ta2 O12 154.1(3) . . ?
O18 Ta2 O9 102.6(3) . . ?
O11 Ta2 O9 153.0(3) . . ?
O6 Ta2 O9 86.6(3) . . ?
O12 Ta2 O9 83.7(3) . . ?
O18 Ta2 O3 178.4(3) . . ?
O11 Ta2 O3 77.2(3) . . ?
O6 Ta2 O3 77.3(3) . . ?
O12 Ta2 O3 77.0(3) . . ?
O9 Ta2 O3 75.9(3) . . ?
O18 Ta2 Ta1 133.9(3) . . ?
O11 Ta2 Ta1 79.0(2) . . ?
O6 Ta2 Ta1 123.1(2) . . ?
O12 Ta2 Ta1 31.4(2) . . ?
O9 Ta2 Ta1 81.1(2) . . ?
O3 Ta2 Ta1 45.81(17) . . ?
O18 Ta2 Ta3 134.9(3) . . ?
O11 Ta2 Ta3 81.2(2) . . ?
O6 Ta2 Ta3 32.0(2) . . ?
O12 Ta2 Ta3 122.4(2) . . ?
O9 Ta2 Ta3 81.3(2) . . ?
O3 Ta2 Ta3 45.39(17) . . ?
Ta1 Ta2 Ta3 91.16(2) . . ?
O18 Ta2 Ta6 133.3(3) . . ?
O11 Ta2 Ta6 122.4(2) . . ?
O6 Ta2 Ta6 79.3(2) . . ?
O12 Ta2 Ta6 80.1(2) . . ?
O9 Ta2 Ta6 30.7(2) . . ?
O3 Ta2 Ta6 45.18(16) . . ?
Ta1 Ta2 Ta6 62.579(17) . . ?
Ta3 Ta2 Ta6 60.004(15) . . ?
O18 Ta2 Ta4 136.1(3) . . ?
O11 Ta2 Ta4 31.8(2) . . ?
O6 Ta2 Ta4 81.8(3) . . ?
O12 Ta2 Ta4 82.8(2) . . ?
O9 Ta2 Ta4 121.3(2) . . ?
O3 Ta2 Ta4 45.44(16) . . ?
Ta1 Ta2 Ta4 59.599(16) . . ?
Ta3 Ta2 Ta4 59.88(2) . . ?
Ta6 Ta2 Ta4 90.607(17) . . ?
O19 Ta3 O6 102.6(4) . . ?
O19 Ta3 O10 104.2(4) . . ?
O6 Ta3 O10 90.6(3) . . ?
O19 Ta3 O8 100.3(4) . . ?
O6 Ta3 O8 89.0(3) . . ?
O10 Ta3 O8 154.9(3) . . ?
O19 Ta3 O16 101.9(4) . . ?
O6 Ta3 O16 155.1(3) . . ?
O10 Ta3 O16 87.3(3) . . ?
O8 Ta3 O16 82.6(3) . . ?
O19 Ta3 O3 177.2(3) . . ?
O6 Ta3 O3 78.7(3) . . ?
O10 Ta3 O3 78.2(3) . . ?
O8 Ta3 O3 77.1(3) . . ?
O16 Ta3 O3 76.7(3) . . ?
O19 Ta3 Ta2 135.2(3) . . ?
O6 Ta3 Ta2 32.5(2) . . ?
O10 Ta3 Ta2 82.6(2) . . ?
O8 Ta3 Ta2 83.7(2) . . ?
O16 Ta3 Ta2 122.8(2) . . ?
O3 Ta3 Ta2 46.18(18) . . ?
O19 Ta3 Ta6 132.3(3) . . ?
O6 Ta3 Ta6 79.8(2) . . ?
O10 Ta3 Ta6 123.5(2) . . ?
O8 Ta3 Ta6 32.1(2) . . ?
O16 Ta3 Ta6 80.7(2) . . ?
O3 Ta3 Ta6 45.30(17) . . ?
Ta2 Ta3 Ta6 60.201(18) . . ?
O19 Ta3 Ta5 133.6(3) . . ?
O6 Ta3 Ta5 123.7(2) . . ?
O10 Ta3 Ta5 79.2(2) . . ?
O8 Ta3 Ta5 80.2(2) . . ?
O16 Ta3 Ta5 31.8(2) . . ?
O3 Ta3 Ta5 45.03(19) . . ?
Ta2 Ta3 Ta5 91.18(2) . . ?
Ta6 Ta3 Ta5 62.30(2) . . ?
O19 Ta3 Ta4 136.6(3) . . ?
O6 Ta3 Ta4 82.9(2) . . ?
O10 Ta3 Ta4 32.4(2) . . ?
O8 Ta3 Ta4 122.9(2) . . ?
O16 Ta3 Ta4 82.2(2) . . ?
O3 Ta3 Ta4 45.83(17) . . ?
Ta2 Ta3 Ta4 60.55(2) . . ?
Ta6 Ta3 Ta4 91.11(2) . . ?
Ta5 Ta3 Ta4 59.59(2) . . ?
O13 Ta4 O10 102.7(4) . . ?
O13 Ta4 O11 103.4(3) . . ?
O10 Ta4 O11 88.8(3) . . ?
O13 Ta4 O14 102.1(4) . . ?
O10 Ta4 O14 87.6(3) . . ?
O11 Ta4 O14 154.4(3) . . ?
O13 Ta4 O4 102.6(4) . . ?
O10 Ta4 O4 154.7(3) . . ?
O11 Ta4 O4 87.0(3) . . ?
O14 Ta4 O4 85.5(3) . . ?
O13 Ta4 O3 179.5(4) . . ?
O10 Ta4 O3 77.5(3) . . ?
O11 Ta4 O3 77.1(3) . . ?
O14 Ta4 O3 77.4(3) . . ?
O4 Ta4 O3 77.3(3) . . ?
O13 Ta4 Ta5 134.2(3) . . ?
O10 Ta4 Ta5 79.6(2) . . ?
O11 Ta4 Ta5 122.4(2) . . ?
O14 Ta4 Ta5 32.2(2) . . ?
O4 Ta4 Ta5 81.7(2) . . ?
O3 Ta4 Ta5 45.35(18) . . ?
O13 Ta4 Ta1 134.1(3) . . ?
O10 Ta4 Ta1 123.2(2) . . ?
O11 Ta4 Ta1 78.7(2) . . ?
O14 Ta4 Ta1 82.2(2) . . ?
O4 Ta4 Ta1 31.6(2) . . ?
O3 Ta4 Ta1 45.77(17) . . ?
Ta5 Ta4 Ta1 62.946(16) . . ?
O13 Ta4 Ta3 134.9(3) . . ?
O10 Ta4 Ta3 32.3(2) . . ?
O11 Ta4 Ta3 80.6(2) . . ?
O14 Ta4 Ta3 82.9(2) . . ?
O4 Ta4 Ta3 122.5(2) . . ?
O3 Ta4 Ta3 45.22(17) . . ?
Ta5 Ta4 Ta3 60.173(16) . . ?
Ta1 Ta4 Ta3 90.92(2) . . ?
O13 Ta4 Ta2 134.9(3) . . ?
O10 Ta4 Ta2 81.6(3) . . ?
O11 Ta4 Ta2 31.5(2) . . ?
O14 Ta4 Ta2 123.1(2) . . ?
O4 Ta4 Ta2 81.8(2) . . ?
O3 Ta4 Ta2 45.61(18) . . ?
Ta5 Ta4 Ta2 90.947(17) . . ?
Ta1 Ta4 Ta2 59.52(2) . . ?
Ta3 Ta4 Ta2 59.567(16) . . ?
O17 Ta5 O16 103.3(4) . . ?
O17 Ta5 O14 103.1(4) . . ?
O16 Ta5 O14 93.3(3) . . ?
O17 Ta5 O7 100.7(3) . . ?
O16 Ta5 O7 89.7(3) . . ?
O14 Ta5 O7 154.6(3) . . ?
O17 Ta5 O2 101.1(3) . . ?
O16 Ta5 O2 154.0(3) . . ?
O14 Ta5 O2 89.9(3) . . ?
O7 Ta5 O2 76.9(3) . . ?
O17 Ta5 O3 176.4(3) . . ?
O16 Ta5 O3 79.0(3) . . ?
O14 Ta5 O3 79.4(3) . . ?
O7 Ta5 O3 76.5(3) . . ?
O2 Ta5 O3 76.2(3) . . ?
O17 Ta5 Cu1 93.7(3) . . ?
O16 Ta5 Cu1 129.1(3) . . ?
O14 Ta5 Cu1 129.1(2) . . ?
O7 Ta5 Cu1 39.7(2) . . ?
O2 Ta5 Cu1 39.5(2) . . ?
O3 Ta5 Cu1 82.64(17) . . ?
O17 Ta5 Ta4 136.3(3) . . ?
O16 Ta5 Ta4 84.4(2) . . ?
O14 Ta5 Ta4 33.3(2) . . ?
O7 Ta5 Ta4 122.5(2) . . ?
O2 Ta5 Ta4 84.2(2) . . ?
O3 Ta5 Ta4 46.21(17) . . ?
Cu1 Ta5 Ta4 114.65(4) . . ?
O17 Ta5 Ta3 137.2(3) . . ?
O16 Ta5 Ta3 33.9(2) . . ?
O14 Ta5 Ta3 83.7(2) . . ?
O7 Ta5 Ta3 84.9(2) . . ?
O2 Ta5 Ta3 121.3(2) . . ?
O3 Ta5 Ta3 45.27(17) . . ?
Cu1 Ta5 Ta3 114.68(4) . . ?
Ta4 Ta5 Ta3 60.238(17) . . ?
O15 Ta6 O9 104.3(4) . . ?
O15 Ta6 O8 102.8(4) . . ?
O9 Ta6 O8 93.3(3) . . ?
O15 Ta6 O1 101.2(4) . . ?
O9 Ta6 O1 90.1(3) . . ?
O8 Ta6 O1 154.1(3) . . ?
O15 Ta6 O7 101.2(3) . . ?
O9 Ta6 O7 153.3(3) . . ?
O8 Ta6 O7 88.7(3) . . ?
O1 Ta6 O7 77.2(3) . . ?
O15 Ta6 O3 176.6(4) . . ?
O9 Ta6 O3 78.4(3) . . ?
O8 Ta6 O3 78.9(3) . . ?
O1 Ta6 O3 76.6(3) . . ?
O7 Ta6 O3 75.8(3) . . ?
O15 Ta6 Cu1 94.2(3) . . ?
O9 Ta6 Cu1 129.4(2) . . ?
O8 Ta6 Cu1 128.2(2) . . ?
O1 Ta6 Cu1 39.7(2) . . ?
O7 Ta6 Cu1 39.7(2) . . ?
O3 Ta6 Cu1 82.45(18) . . ?
O15 Ta6 Ta3 136.6(3) . . ?
O9 Ta6 Ta3 82.4(2) . . ?
O8 Ta6 Ta3 33.9(2) . . ?
O1 Ta6 Ta3 121.8(2) . . ?
O7 Ta6 Ta3 84.5(2) . . ?
O3 Ta6 Ta3 45.29(17) . . ?
Cu1 Ta6 Ta3 114.67(4) . . ?
O15 Ta6 Ta2 136.9(3) . . ?
O9 Ta6 Ta2 32.5(2) . . ?
O8 Ta6 Ta2 84.7(2) . . ?
O1 Ta6 Ta2 84.41(19) . . ?
O7 Ta6 Ta2 121.6(2) . . ?
O3 Ta6 Ta2 45.95(18) . . ?
Cu1 Ta6 Ta2 114.47(4) . . ?
Ta3 Ta6 Ta2 59.794(17) . . ?
O5 Cu1 O2 96.6(3) 7_557 . ?
O5 Cu1 O7 174.9(3) 7_557 . ?
O2 Cu1 O7 80.8(3) . . ?
O5 Cu1 O1 94.2(3) 7_557 . ?
O2 Cu1 O1 80.6(3) . . ?
O7 Cu1 O1 81.1(3) . . ?
O5 Cu1 N11 91.3(4) 7_557 . ?
O2 Cu1 N11 97.0(4) . . ?
O7 Cu1 N11 93.3(4) . . ?
O1 Cu1 N11 174.2(4) . . ?
O5 Cu1 N10 91.0(4) 7_557 . ?
O2 Cu1 N10 172.1(4) . . ?
O7 Cu1 N10 91.8(4) . . ?
O1 Cu1 N10 101.0(5) . . ?
N11 Cu1 N10 80.7(5) . . ?
O5 Cu1 Ta5 137.4(3) 7_557 . ?
O2 Cu1 Ta5 42.0(2) . . ?
O7 Cu1 Ta5 41.2(2) . . ?
O1 Cu1 Ta5 88.9(2) . . ?
N11 Cu1 Ta5 85.8(3) . . ?
N10 Cu1 Ta5 130.1(3) . . ?
O5 Cu1 Ta6 134.1(3) 7_557 . ?
O2 Cu1 Ta6 88.7(2) . . ?
O7 Cu1 Ta6 41.9(2) . . ?
O1 Cu1 Ta6 41.6(2) . . ?
N11 Cu1 Ta6 133.4(3) . . ?
N10 Cu1 Ta6 87.5(4) . . ?
Ta5 Cu1 Ta6 68.07(4) . . ?
O5 Cu1 Ta1 86.6(2) 7_557 . ?
O2 Cu1 Ta1 41.3(2) . . ?
O7 Cu1 Ta1 88.6(2) . . ?
O1 Cu1 Ta1 41.6(2) . . ?
N11 Cu1 Ta1 137.3(4) . . ?
N10 Cu1 Ta1 142.0(4) . . ?
Ta5 Cu1 Ta1 68.15(4) . . ?
Ta6 Cu1 Ta1 67.98(4) . . ?
N14 Cu2 N6 178.3(7) . . ?
N14 Cu2 N8 84.6(7) . . ?
N6 Cu2 N8 97.1(7) . . ?
N14 Cu2 N4 92.7(8) . . ?
N6 Cu2 N4 85.6(7) . . ?
N8 Cu2 N4 177.3(7) . . ?
N5 Cu3 N5 92.3(10) 2 . ?
N5 Cu3 N12 85.3(6) 2 2 ?
N5 Cu3 N12 175.4(5) . 2 ?
N5 Cu3 N12 175.4(5) 2 . ?
N5 Cu3 N12 85.3(6) . . ?
N12 Cu3 N12 97.3(7) 2 . ?
O19 Cu4 N3 176.7(6) . . ?
O19 Cu4 N2 94.8(6) . . ?
N3 Cu4 N2 82.7(7) . . ?
O19 Cu4 O24 92.4(4) . . ?
N3 Cu4 O24 90.8(6) . . ?
N2 Cu4 O24 148.4(7) . . ?
O19 Cu4 O23 88.5(4) . . ?
N3 Cu4 O23 90.4(6) . . ?
N2 Cu4 O23 112.2(6) . . ?
O24 Cu4 O23 98.7(4) . . ?
N7 Cu5 N7 97.8(7) . 2_556 ?
N7 Cu5 N9 176.6(5) . 2_556 ?
N7 Cu5 N9 84.1(5) 2_556 2_556 ?
N7 Cu5 N9 84.1(5) . . ?
N7 Cu5 N9 176.6(5) 2_556 . ?
N9 Cu5 N9 94.2(8) 2_556 . ?
Cu1 O1 Ta6 98.7(3) . . ?
Cu1 O1 Ta1 99.0(4) . . ?
Ta6 O1 Ta1 112.6(3) . . ?
Cu1 O2 Ta1 99.7(4) . . ?
Cu1 O2 Ta5 98.4(3) . . ?
Ta1 O2 Ta5 112.7(3) . . ?
Ta5 O3 Ta3 89.7(2) . . ?
Ta5 O3 Ta6 93.7(2) . . ?
Ta3 O3 Ta6 89.4(2) . . ?
Ta5 O3 Ta1 93.9(3) . . ?
Ta3 O3 Ta1 175.2(3) . . ?
Ta6 O3 Ta1 93.4(2) . . ?
Ta5 O3 Ta4 88.4(3) . . ?
Ta3 O3 Ta4 88.9(2) . . ?
Ta6 O3 Ta4 177.3(4) . . ?
Ta1 O3 Ta4 88.1(2) . . ?
Ta5 O3 Ta2 176.8(3) . . ?
Ta3 O3 Ta2 88.4(2) . . ?
Ta6 O3 Ta2 88.9(3) . . ?
Ta1 O3 Ta2 87.8(2) . . ?
Ta4 O3 Ta2 88.9(2) . . ?
Ta1 O4 Ta4 115.3(4) . . ?
Ta1 O5 Cu1 178.4(5) . 7_557 ?
Ta3 O6 Ta2 115.5(4) . . ?
Cu1 O7 Ta5 99.1(3) . . ?
Cu1 O7 Ta6 98.4(3) . . ?
Ta5 O7 Ta6 113.1(3) . . ?
Ta6 O8 Ta3 114.0(4) . . ?
Ta6 O9 Ta2 116.7(4) . . ?
Ta3 O10 Ta4 115.3(4) . . ?
Ta2 O11 Ta4 116.7(4) . . ?
Ta1 O12 Ta2 115.4(4) . . ?
Ta5 O14 Ta4 114.6(4) . . ?
Ta5 O16 Ta3 114.3(4) . . ?
Ta3 O19 Cu4 168.2(6) . . ?
C2 N14 Cu2 110.7(19) . . ?
C12 N12 Cu3 105.0(10) . . ?
C6 N11 Cu1 108.1(11) . . ?
C5 N10 Cu1 112.8(13) . . ?
C9 N9 Cu5 109.7(10) . . ?
C7 N8 Cu2 111(2) . . ?
C10 N7 Cu5 109.1(11) . . ?
C11 N6 Cu2 110.6(17) . . ?
C8 N5 Cu3 106.6(11) . . ?
C3 N4 C3 39(2) 6_565 . ?
C3 N4 Cu2 107.9(18) 6_565 . ?
C3 N4 Cu2 107.9(18) . . ?
C8 C12 N12 110.0(15) . . ?
C1 N3 Cu4 114.1(17) . . ?
N6 C11 C3 112(2) . . ?
N6 C11 C3 112(2) . 6_565 ?
C3 C11 C3 39(3) . 6_565 ?
C4 N2 Cu4 113.3(15) . . ?
C9 C10 N7 117.6(17) . . ?
C10 C9 N9 111.0(15) . . ?
C12 C8 N5 109.2(17) . . ?
C2 C7 N8 119(4) . . ?
C5 C6 N11 116(2) . . ?
C6 C5 N10 116(2) . . ?
N2 C4 C1 112(2) . . ?
C7 C2 N14 115(4) . . ?
N3 C1 C4 108(3) . . ?
C3 C3 N4 70.7(12) 6_565 . ?
C3 C3 C11 70.7(13) 6_565 . ?
N4 C3 C11 111(3) . . ?

_refine_diff_density_max         1.989
_refine_diff_density_min         -2.910
_refine_diff_density_rms         0.263

_shelxl_version_number           2014-3

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.031 0.000 -0.030 1727.6 105.9
2 -0.041 0.500 0.459 1727.7 105.9
_platon_squeeze_details          
; ?
;
