#------------------------------------------------------------------------------
#$Date: 2016-03-24 13:58:10 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179647 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/00/4510025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4510025
loop_
_publ_author_name
'Zhang, Ying'
'Shen, Jian-Qiang'
'Zheng, Li-Hua'
'Zhang, Zhi-Ming'
'Li, Yu-Xin'
'Wang, En-Bo'
_publ_section_title
;
 Four Polyoxonibate-Based Inorganic--Organic Hybrids Assembly from
 Bicapped Heteropolyoxonibate with Effective Antitumor Activity
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              110
_journal_paper_doi               10.1021/cg401227g
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C24 H135 Cu6 Ge N24 Nb12 O62 V2'
_chemical_formula_weight         3423.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 129.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.709(4)
_cell_length_b                   20.757(4)
_cell_length_c                   14.872(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.06
_cell_volume                     4967(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19368
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.159
_exptl_absorpt_correction_T_max  0.7030
_exptl_absorpt_correction_T_min  0.5056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            BROWN
_exptl_crystal_density_diffrn    2.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3374
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.974
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4516
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0720
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0959P)²+137.8784P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1879
_refine_ls_wR_factor_ref         0.2012
_reflns_number_gt                3373
_reflns_number_total             4516
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401227g_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        4967.5(17)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4510025
loop_
_symmetry_equiv_pos_as_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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ge1 Ge 0.0000 0.0000 0.0000 0.0212(4) Uani 1 4 d SU
Cu1 Cu -0.2500 -0.2500 0.0000 0.0654(8) Uani 1 2 d S
Cu2 Cu 0.0000 0.5000 0.5000 0.0678(12) Uani 1 4 d S
Cu3 Cu 0.0000 0.0000 0.5000 0.0681(11) Uani 1 4 d S
Cu4 Cu 0.2500 0.2500 0.5000 0.0746(9) Uani 1 2 d S
O10 O -0.0484(8) -0.0709(6) -0.0831(11) 0.084(4) Uani 1 1 d U
C1 C 0.0852(19) 0.5000 0.742(3) 0.119(12) Uani 1 2 d S
C2 C -0.004(4) 0.5000 0.685(5) 0.176(19) Uani 1 2 d SU
C3 C -0.0943(16) -0.3004(13) 0.185(2) 0.123(8) Uani 1 1 d U
H3A H -0.0667 -0.3248 0.2557 0.148 Uiso 1 1 calc R
H3B H -0.0651 -0.3086 0.1542 0.148 Uiso 1 1 calc R
C4 C -0.0890(19) -0.2350(14) 0.209(2) 0.137(9) Uani 1 1 d U
H4A H -0.0326 -0.2201 0.2487 0.164 Uiso 1 1 calc R
H4B H -0.1023 -0.2282 0.2607 0.164 Uiso 1 1 calc R
C5 C 0.136(2) 0.3148(19) 0.294(3) 0.181(14) Uani 1 1 d U
H5A H 0.1306 0.3265 0.2269 0.217 Uiso 1 1 calc R
H5B H 0.0797 0.3123 0.2693 0.217 Uiso 1 1 calc R
C6 C 0.177(2) 0.3647(16) 0.374(3) 0.154(11) Uani 1 1 d U
H6A H 0.1358 0.3939 0.3636 0.185 Uiso 1 1 calc R
H6B H 0.2093 0.3886 0.3593 0.185 Uiso 1 1 calc R
C7 C -0.172(2) -0.0245(14) 0.378(3) 0.068(9) Uani 0.50 1 d P
C8 C -0.144(3) -0.084(2) 0.351(4) 0.098(14) Uani 0.50 1 d P
N1 N -0.1466(8) -0.1979(8) 0.1027(12) 0.081(5) Uani 1 1 d .
H1C H -0.1240 -0.1907 0.0679 0.097 Uiso 1 1 calc R
H1D H -0.1579 -0.1597 0.1185 0.097 Uiso 1 1 calc R
N2 N 0.0993(18) 0.5000 0.664(3) 0.115(9) Uani 1 2 d SU
N3 N -0.1815(9) -0.3237(8) 0.0993(13) 0.086(5) Uani 1 1 d .
H3C H -0.2000 -0.3388 0.1363 0.104 Uiso 1 1 calc R
H3D H -0.1844 -0.3557 0.0561 0.104 Uiso 1 1 calc R
N4 N -0.1022(15) 0.0000 0.484(2) 0.088(7) Uani 1 2 d SU
N5 N 0.2303(12) 0.3429(9) 0.4917(15) 0.123(8) Uani 1 1 d .
H5C H 0.2071 0.3519 0.5250 0.148 Uiso 1 1 calc R
H5D H 0.2791 0.3639 0.5312 0.148 Uiso 1 1 calc R
N6 N 0.1706(15) 0.2534(9) 0.3291(15) 0.148(10) Uani 1 1 d .
H6C H 0.1970 0.2444 0.3005 0.178 Uiso 1 1 calc R
H6D H 0.1304 0.2238 0.3019 0.178 Uiso 1 1 calc R
N7 N -0.0698(18) -0.0804(13) 0.363(2) 0.116(9) Uani 0.75 1 d PU
N8 N -0.057(5) 0.5000 0.564(8) 0.17(3) Uani 0.50 2 d SPU
O1W O 0.1792(17) 0.4134(13) 0.064(3) 0.138(9) Uani 0.70 1 d PU
O2W O 0.025(2) 0.3886(16) 0.985(3) 0.120(11) Uani 0.50 1 d PU
O3W O 0.092(4) 0.5000 1.148(6) 0.17(2) Uani 0.50 2 d SPU
O4W O 0.2133(13) 0.2783(10) 0.1354(17) 0.149(7) Uani 1 1 d U
O5W O 0.413(2) 0.3014(15) 0.475(3) 0.125(10) Uani 0.55 1 d PU
O7W O -0.0747(13) 0.6644(11) 0.4773(18) 0.162(7) Uani 1 1 d U
Nb4 Nb 0.0000 -0.17831(6) 0.0000 0.0358(4) Uani 1 2 d S
O15 O 0.0000 -0.2608(5) 0.0000 0.073(5) Uani 1 2 d S
O6 O -0.1196(7) -0.1617(6) -0.0888(10) 0.082(3) Uani 1 1 d U
O14 O -0.1970(9) -0.0664(5) -0.0565(9) 0.078(3) Uani 1 1 d U
Nb2 Nb -0.19144(6) -0.09105(5) -0.17452(8) 0.0321(3) Uani 1 1 d U
O3 O -0.2873(5) -0.1301(5) -0.2698(7) 0.055(2) Uani 1 1 d .
O8 O -0.1030(12) 0.0000 -0.0575(16) 0.090(5) Uani 1 2 d SU
O5 O -0.1584(6) -0.0867(4) -0.2793(9) 0.058(3) Uani 1 1 d .
V1 V -0.19519(15) 0.0000 -0.3430(2) 0.0271(6) Uani 1 2 d S
O1 O -0.2740(7) 0.0000 -0.4791(10) 0.048(3) Uani 1 2 d S
O2 O -0.2278(10) 0.0000 -0.2456(12) 0.057(4) Uani 1 2 d S
O4 O -0.0882(7) 0.0000 -0.3092(15) 0.065(4) Uani 1 2 d S
Nb1 Nb -0.04312(7) -0.09030(5) -0.23872(9) 0.0390(3) Uani 1 1 d .
O7 O -0.0731(5) -0.1279(5) -0.3650(7) 0.053(2) Uani 1 1 d .
O11 O -0.0119(7) -0.1599(6) -0.1396(10) 0.080(3) Uani 1 1 d U
O12 O 0.0659(7) -0.0656(5) -0.1735(12) 0.092(4) Uani 1 1 d U
O9 O 0.0120(12) 0.0000 -0.1104(16) 0.088(5) Uani 1 2 d S
Nb3 Nb 0.14607(9) 0.0000 -0.06191(13) 0.0340(4) Uani 1 2 d S
O13 O 0.2128(12) 0.0000 -0.0946(18) 0.088(6) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
Nb Nb -2.0727 0.6215 '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'
V V 0.3005 0.5294 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8 Ge1 O8 180.0(13) 5 .
O8 Ge1 O10 71.0(5) 5 5
O8 Ge1 O10 109.0(5) . 5
O8 Ge1 O10 109.0(5) 5 .
O8 Ge1 O10 71.0(5) . .
O10 Ge1 O10 180.0(19) 5 .
O8 Ge1 O10 71.0(5) 5 2
O8 Ge1 O10 109.0(5) . 2
O10 Ge1 O10 112.4(8) 5 2
O10 Ge1 O10 67.6(8) . 2
O8 Ge1 O10 109.0(5) 5 6
O8 Ge1 O10 71.0(5) . 6
O10 Ge1 O10 67.6(8) 5 6
O10 Ge1 O10 112.4(8) . 6
O10 Ge1 O10 180.0(4) 2 6
O8 Ge1 O9 112.5(9) 5 5
O8 Ge1 O9 67.5(9) . 5
O10 Ge1 O9 73.0(5) 5 5
O10 Ge1 O9 107.0(5) . 5
O10 Ge1 O9 73.0(5) 2 5
O10 Ge1 O9 107.0(5) 6 5
O8 Ge1 O9 67.5(9) 5 .
O8 Ge1 O9 112.5(9) . .
O10 Ge1 O9 107.0(5) 5 .
O10 Ge1 O9 73.0(5) . .
O10 Ge1 O9 107.0(5) 2 .
O10 Ge1 O9 73.0(5) 6 .
O9 Ge1 O9 180.0(11) 5 .
N3 Cu1 N3 180.0(6) . 7_445
N3 Cu1 N1 85.9(6) . .
N3 Cu1 N1 94.1(6) 7_445 .
N3 Cu1 N1 94.1(6) . 7_445
N3 Cu1 N1 85.9(6) 7_445 7_445
N1 Cu1 N1 180.0(10) . 7_445
N8 Cu2 N8 180.000(17) 5_566 .
N8 Cu2 N2 97(3) 5_566 .
N8 Cu2 N2 83(3) . .
N8 Cu2 N2 83(3) 5_566 5_566
N8 Cu2 N2 97(3) . 5_566
N2 Cu2 N2 180.000(3) . 5_566
N4 Cu3 N4 180.000(1) 5_556 .
N4 Cu3 N7 82.3(9) 5_556 5_556
N4 Cu3 N7 97.7(9) . 5_556
N4 Cu3 N7 97.7(9) 5_556 .
N4 Cu3 N7 82.3(9) . .
N7 Cu3 N7 180.0(9) 5_556 .
N4 Cu3 N7 82.3(8) 5_556 2_556
N4 Cu3 N7 97.7(9) . 2_556
N7 Cu3 N7 92.7(14) 5_556 2_556
N7 Cu3 N7 87.3(14) . 2_556
N4 Cu3 N7 97.7(9) 5_556 6
N4 Cu3 N7 82.3(8) . 6
N7 Cu3 N7 87.3(14) 5_556 6
N7 Cu3 N7 92.7(14) . 6
N7 Cu3 N7 180.000(3) 2_556 6
N5 Cu4 N5 180.000(2) . 7_556
N5 Cu4 N6 95.0(7) . 7_556
N5 Cu4 N6 85.0(7) 7_556 7_556
N5 Cu4 N6 85.0(7) . .
N5 Cu4 N6 95.0(8) 7_556 .
N6 Cu4 N6 180.000(2) 7_556 .
Ge1 O10 Nb2 119.7(6) . .
Ge1 O10 Nb1 117.3(6) . .
Nb2 O10 Nb1 102.3(5) . .
Ge1 O10 Nb4 122.3(6) . .
Nb2 O10 Nb4 95.5(5) . .
Nb1 O10 Nb4 94.7(4) . .
N2 C1 C2 112(3) . .
N8 C2 C1 115(5) . .
C4 C3 N3 113(2) . .
C4 C3 H3A 109.0 . .
N3 C3 H3A 109.0 . .
C4 C3 H3B 109.0 . .
N3 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
C3 C4 N1 110(2) . .
C3 C4 H4A 109.6 . .
N1 C4 H4A 109.6 . .
C3 C4 H4B 109.6 . .
N1 C4 H4B 109.6 . .
H4A C4 H4B 108.1 . .
C6 C5 N6 118(3) . .
C6 C5 H5A 107.9 . .
N6 C5 H5A 107.9 . .
C6 C5 H5B 107.9 . .
N6 C5 H5B 107.9 . .
H5A C5 H5B 107.2 . .
C5 C6 N5 113(3) . .
C5 C6 H6A 108.9 . .
N5 C6 H6A 108.9 . .
C5 C6 H6B 108.9 . .
N5 C6 H6B 108.9 . .
H6A C6 H6B 107.7 . .
C7 C7 N4 68.7(13) 6 .
C7 C7 C8 144.3(19) 6 .
N4 C7 C8 107(3) . .
N7 C8 C7 119(3) . .
C4 N1 Cu1 107.1(13) . .
C4 N1 H1C 110.3 . .
Cu1 N1 H1C 110.3 . .
C4 N1 H1D 110.3 . .
Cu1 N1 H1D 110.3 . .
H1C N1 H1D 108.5 . .
C1 N2 Cu2 116(2) . .
C3 N3 Cu1 107.5(13) . .
C3 N3 H3C 110.2 . .
Cu1 N3 H3C 110.2 . .
C3 N3 H3D 110.2 . .
Cu1 N3 H3D 110.2 . .
H3C N3 H3D 108.5 . .
C7 N4 C7 43(3) . 6
C7 N4 Cu3 113.7(18) . .
C7 N4 Cu3 113.7(18) 6 .
C6 N5 Cu4 111.0(16) . .
C6 N5 H5C 109.4 . .
Cu4 N5 H5C 109.4 . .
C6 N5 H5D 109.4 . .
Cu4 N5 H5D 109.4 . .
H5C N5 H5D 108.0 . .
C5 N6 Cu4 109.2(19) . .
C5 N6 H6C 109.8 . .
Cu4 N6 H6C 109.8 . .
C5 N6 H6D 109.8 . .
Cu4 N6 H6D 109.8 . .
H6C N6 H6D 108.3 . .
C8 N7 Cu3 100(2) . .
C2 N8 Cu2 114(6) . .
O15 Nb4 O11 101.2(4) . 2
O15 Nb4 O11 101.2(4) . .
O11 Nb4 O11 157.6(8) 2 .
O15 Nb4 O6 100.1(4) . 2
O11 Nb4 O6 89.4(4) 2 2
O11 Nb4 O6 86.7(5) . 2
O15 Nb4 O6 100.1(4) . .
O11 Nb4 O6 86.7(5) 2 .
O11 Nb4 O6 89.4(4) . .
O6 Nb4 O6 159.8(8) 2 .
O15 Nb4 O10 156.1(3) . 2
O11 Nb4 O10 63.2(5) 2 2
O11 Nb4 O10 95.5(5) . 2
O6 Nb4 O10 63.7(5) 2 2
O6 Nb4 O10 97.0(5) . 2
O15 Nb4 O10 156.1(3) . .
O11 Nb4 O10 95.5(5) 2 .
O11 Nb4 O10 63.2(5) . .
O6 Nb4 O10 97.0(5) 2 .
O6 Nb4 O10 63.7(5) . .
O10 Nb4 O10 47.7(6) 2 .
Nb2 O6 Nb4 135.2(7) . .
Nb2 O14 Nb3 135.6(7) . 5
O3 Nb2 O6 101.3(5) . .
O3 Nb2 O14 100.1(5) . .
O6 Nb2 O14 93.7(5) . .
O3 Nb2 O5 99.0(5) . .
O6 Nb2 O5 92.8(4) . .
O14 Nb2 O5 158.2(5) . .
O3 Nb2 O2 98.4(5) . .
O6 Nb2 O2 158.6(6) . .
O14 Nb2 O2 90.7(5) . .
O5 Nb2 O2 76.1(4) . .
O3 Nb2 O10 155.3(5) . .
O6 Nb2 O10 65.6(5) . .
O14 Nb2 O10 101.6(5) . .
O5 Nb2 O10 62.7(4) . .
O2 Nb2 O10 93.1(5) . .
O3 Nb2 O8 153.7(5) . .
O6 Nb2 O8 101.6(6) . .
O14 Nb2 O8 65.6(6) . .
O5 Nb2 O8 92.7(6) . .
O2 Nb2 O8 61.5(5) . .
O10 Nb2 O8 49.8(5) . .
O3 Nb2 V1 100.9(3) . .
O6 Nb2 V1 128.6(3) . .
O14 Nb2 V1 126.7(3) . .
O5 Nb2 V1 38.1(2) . .
O2 Nb2 V1 38.0(3) . .
O10 Nb2 V1 75.2(3) . .
O8 Nb2 V1 74.3(4) . .
Ge1 O8 Nb2 119.5(6) . .
Ge1 O8 Nb2 119.5(6) . 6
Nb2 O8 Nb2 101.7(7) . 6
Ge1 O8 Nb3 122.9(9) . 5
Nb2 O8 Nb3 93.7(6) . 5
Nb2 O8 Nb3 93.7(6) 6 5
V1 O5 Nb2 101.2(4) . .
V1 O5 Nb1 101.6(4) . .
Nb2 O5 Nb1 130.6(5) . .
O1 V1 O4 114.4(7) . .
O1 V1 O2 112.5(7) . .
O4 V1 O2 133.1(7) . .
O1 V1 O5 112.8(4) . 6
O4 V1 O5 80.9(3) . 6
O2 V1 O5 81.4(3) . 6
O1 V1 O5 112.8(4) . .
O4 V1 O5 80.9(3) . .
O2 V1 O5 81.4(3) . .
O5 V1 O5 134.5(7) 6 .
O1 V1 Nb2 120.3(3) . 6
O4 V1 Nb2 110.3(4) . 6
O2 V1 Nb2 40.73(18) . 6
O5 V1 Nb2 40.7(3) 6 6
O5 V1 Nb2 111.5(3) . 6
O1 V1 Nb2 120.3(3) . .
O4 V1 Nb2 110.3(4) . .
O2 V1 Nb2 40.73(18) . .
O5 V1 Nb2 111.5(3) 6 .
O5 V1 Nb2 40.7(3) . .
Nb2 V1 Nb2 75.12(7) 6 .
O1 V1 Nb1 122.2(3) . 6
O4 V1 Nb1 40.4(2) . 6
O2 V1 Nb1 110.2(4) . 6
O5 V1 Nb1 40.5(3) 6 6
O5 V1 Nb1 110.5(3) . 6
Nb2 V1 Nb1 74.18(5) 6 6
Nb2 V1 Nb1 117.49(8) . 6
O1 V1 Nb1 122.2(3) . .
O4 V1 Nb1 40.4(2) . .
O2 V1 Nb1 110.2(4) . .
O5 V1 Nb1 110.5(3) 6 .
O5 V1 Nb1 40.5(3) . .
Nb2 V1 Nb1 117.49(8) 6 .
Nb2 V1 Nb1 74.18(5) . .
Nb1 V1 Nb1 74.06(7) 6 .
V1 O2 Nb2 101.3(4) . 6
V1 O2 Nb2 101.3(4) . .
Nb2 O2 Nb2 132.8(7) 6 .
V1 O4 Nb1 102.1(4) . 6
V1 O4 Nb1 102.1(4) . .
Nb1 O4 Nb1 130.7(8) 6 .
O7 Nb1 O11 102.4(5) . .
O7 Nb1 O12 100.0(6) . .
O11 Nb1 O12 95.5(5) . .
O7 Nb1 O4 96.8(6) . .
O11 Nb1 O4 158.0(6) . .
O12 Nb1 O4 91.5(5) . .
O7 Nb1 O5 98.0(4) . .
O11 Nb1 O5 91.2(4) . .
O12 Nb1 O5 158.9(5) . .
O4 Nb1 O5 75.4(4) . .
O7 Nb1 O9 151.2(5) . .
O11 Nb1 O9 102.9(6) . .
O12 Nb1 O9 63.9(6) . .
O4 Nb1 O9 61.9(6) . .
O5 Nb1 O9 95.0(6) . .
O7 Nb1 O10 154.6(5) . .
O11 Nb1 O10 64.8(5) . .
O12 Nb1 O10 103.0(6) . .
O4 Nb1 O10 93.3(6) . .
O5 Nb1 O10 62.1(4) . .
O9 Nb1 O10 52.6(5) . .
O7 Nb1 V1 99.8(3) . .
O11 Nb1 V1 126.8(3) . .
O12 Nb1 V1 127.0(3) . .
O4 Nb1 V1 37.6(3) . .
O5 Nb1 V1 37.9(2) . .
O9 Nb1 V1 75.6(4) . .
O10 Nb1 V1 74.7(3) . .
Nb1 O11 Nb4 137.3(7) . .
Nb1 O12 Nb3 136.2(8) . .
Ge1 O9 Nb3 121.6(9) . .
Ge1 O9 Nb1 117.1(6) . .
Nb3 O9 Nb1 96.9(6) . .
Ge1 O9 Nb1 117.1(6) . 6
Nb3 O9 Nb1 96.9(6) . 6
Nb1 O9 Nb1 103.2(7) . 6
O13 Nb3 O14 100.4(6) . 5
O13 Nb3 O14 100.4(6) . 2
O14 Nb3 O14 90.4(6) 5 2
O13 Nb3 O12 99.3(7) . .
O14 Nb3 O12 160.2(6) 5 .
O14 Nb3 O12 87.8(5) 2 .
O13 Nb3 O12 99.3(7) . 6
O14 Nb3 O12 87.8(5) 5 6
O14 Nb3 O12 160.2(6) 2 6
O12 Nb3 O12 87.3(7) . 6
O13 Nb3 O9 153.8(8) . .
O14 Nb3 O9 97.9(5) 5 .
O14 Nb3 O9 97.9(5) 2 .
O12 Nb3 O9 62.9(5) . .
O12 Nb3 O9 62.9(5) 6 .
O13 Nb3 O8 158.2(8) . 5
O14 Nb3 O8 65.1(5) 5 5
O14 Nb3 O8 65.1(5) 2 5
O12 Nb3 O8 96.5(6) . 5
O12 Nb3 O8 96.5(6) 6 5
O9 Nb3 O8 48.0(6) . 5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O8 1.73(2) 5
Ge1 O8 1.73(2) .
Ge1 O10 1.772(12) 5
Ge1 O10 1.772(12) .
Ge1 O10 1.772(12) 2
Ge1 O10 1.772(12) 6
Ge1 O9 1.808(19) 5
Ge1 O9 1.808(19) .
Cu1 N3 1.974(15) .
Cu1 N3 1.974(15) 7_445
Cu1 N1 1.993(13) .
Cu1 N1 1.993(13) 7_445
Cu2 N8 1.92(8) 5_566
Cu2 N8 1.92(8) .
Cu2 N2 1.97(3) .
Cu2 N2 1.97(3) 5_566
Cu3 N4 1.97(2) 5_556
Cu3 N4 1.97(2) .
Cu3 N7 2.31(3) 5_556
Cu3 N7 2.31(3) .
Cu3 N7 2.31(3) 2_556
Cu3 N7 2.31(3) 6
Cu4 N5 1.958(18) .
Cu4 N5 1.958(18) 7_556
Cu4 N6 1.977(18) 7_556
Cu4 N6 1.977(18) .
O10 Nb2 2.393(13) .
O10 Nb1 2.418(13) .
O10 Nb4 2.437(13) .
C1 N2 1.36(4) .
C1 C2 1.47(6) .
C2 N8 1.41(8) .
C3 C4 1.39(3) .
C3 N3 1.49(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N1 1.47(3) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.39(4) .
C5 N6 1.40(4) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N5 1.43(3) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C7 1.02(6) 6
C7 N4 1.40(4) .
C7 C8 1.51(5) .
C8 N7 1.43(5) .
N1 H1C 0.9000 .
N1 H1D 0.9000 .
N3 H3C 0.9000 .
N3 H3D 0.9000 .
N4 C7 1.40(4) 6
N5 H5C 0.9000 .
N5 H5D 0.9000 .
N6 H6C 0.9000 .
N6 H6D 0.9000 .
O2W O2W 1.38(6) 2_557
Nb4 O15 1.711(11) .
Nb4 O11 1.969(11) 2
Nb4 O11 1.969(11) .
Nb4 O6 1.970(11) 2
Nb4 O6 1.970(11) .
Nb4 O10 2.437(13) 2
O6 Nb2 1.897(10) .
O14 Nb2 1.899(10) .
O14 Nb3 1.944(11) 5
Nb2 O3 1.751(8) .
Nb2 O5 2.060(9) .
Nb2 O2 2.063(6) .
Nb2 O8 2.438(12) .
Nb2 V1 3.100(2) .
O8 Nb2 2.438(12) 6
O8 Nb3 2.44(2) 5
O5 V1 1.951(8) .
O5 Nb1 2.064(9) .
V1 O1 1.613(11) .
V1 O4 1.940(12) .
V1 O2 1.946(12) .
V1 O5 1.951(8) 6
V1 Nb2 3.100(2) 6
V1 Nb1 3.112(2) 6
V1 Nb1 3.112(2) .
O2 Nb2 2.063(6) 6
O4 Nb1 2.062(7) 6
O4 Nb1 2.062(7) .
Nb1 O7 1.748(8) .
Nb1 O11 1.865(11) .
Nb1 O12 1.883(12) .
Nb1 O9 2.391(11) .
O12 Nb3 1.974(11) .
O9 Nb3 2.39(2) .
O9 Nb1 2.391(11) 6
Nb3 O13 1.730(13) .
Nb3 O14 1.944(11) 5
Nb3 O14 1.944(11) 2
Nb3 O12 1.974(11) 6
Nb3 O8 2.44(2) 5
