#------------------------------------------------------------------------------
#$Date: 2016-03-24 13:58:10 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179647 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/00/4510027.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_4510027
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            'C12 H94 Cu3 Ge K2 N12 Na4 Nb12 O65 V2'
_chemical_formula_weight         3097.16
_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   NONE
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.88(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.918(6)
_cell_length_b                   27.275(5)
_cell_length_c                   13.638(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.99
_cell_volume                     10732(4)
_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 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0652
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            44302
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.430
_exptl_absorpt_correction_T_max  0.8483
_exptl_absorpt_correction_T_min  0.7759
_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    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             6036
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.864
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         12276
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1065
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0997P)²+217.0248P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1913
_refine_ls_wR_factor_ref         0.2126
_reflns_number_gt                8516
_reflns_number_total             12276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401227g_si_003.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/M
_cod_database_code               4510027
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
Nb1 Nb 0.23733(3) 0.36785(3) 0.09731(6) 0.0376(2) Uani 1 1 d .
Nb2 Nb 0.20311(3) 0.56223(3) -0.14219(5) 0.02802(18) Uani 1 1 d .
Nb3 Nb 0.26841(3) 0.43095(3) 0.31260(5) 0.03105(19) Uani 1 1 d .
Nb4 Nb 0.15609(3) 0.43123(3) 0.22314(5) 0.02934(19) Uani 1 1 d .
Nb5 Nb 0.32741(3) 0.56207(3) -0.04364(6) 0.0326(2) Uani 1 1 d .
Nb6 Nb 0.12098(4) 0.5000 -0.01670(8) 0.0309(2) Uani 1 2 d S
Nb7 Nb 0.35993(4) 0.5000 0.17359(9) 0.0381(3) Uani 1 2 d S
Ge1 Ge 0.23895(4) 0.5000 0.08785(9) 0.0270(3) Uani 1 2 d S
Cu1 Cu 0.01501(6) 0.5000 -0.18816(13) 0.0469(4) Uani 1 2 d S
Cu2 Cu 0.22671(5) 0.23842(4) 0.18265(9) 0.0476(3) Uani 1 1 d .
V1 V 0.14368(10) 0.39337(10) 0.0120(2) 0.0272(6) Uani 0.50 1 d P
V2 V 0.33389(11) 0.39386(11) 0.1625(2) 0.0326(6) Uani 0.50 1 d P
O1 O 0.1061(3) 0.3518(3) -0.0176(6) 0.0543(19) Uani 1 1 d U
O2 O 0.3706(3) 0.3562(3) 0.1915(6) 0.063(2) Uani 1 1 d U
O3 O 0.4143(3) 0.5000 0.2432(8) 0.049(2) Uani 1 2 d S
O4 O 0.1753(2) 0.3702(2) 0.1516(5) 0.0362(14) Uani 1 1 d .
O5 O 0.1284(2) 0.4504(2) 0.0891(4) 0.0293(12) Uani 1 1 d .
O6 O 0.2617(3) 0.5000 0.3429(6) 0.0330(18) Uani 1 2 d S
O7 O 0.1544(3) 0.5000 0.2586(6) 0.0344(19) Uani 1 2 d S
O8 O 0.2963(2) 0.3909(2) 0.0437(4) 0.0318(13) Uani 1 1 d .
O9 O 0.2961(3) 0.5000 0.0551(6) 0.0282(17) Uani 1 2 d S
O10 O 0.2702(2) 0.5585(2) -0.1254(4) 0.0305(12) Uani 1 1 d .
O11 O 0.2290(2) 0.44837(19) 0.1576(4) 0.0277(12) Uani 1 1 d .
O12 O 0.3497(3) 0.5000 -0.0972(6) 0.0336(19) Uani 1 2 d S
O13 O 0.2030(2) 0.4172(2) 0.3322(4) 0.0304(12) Uani 1 1 d .
O14 O 0.2057(2) 0.39081(19) -0.0290(4) 0.0285(12) Uani 1 1 d .
O15 O 0.1969(2) 0.6050(2) -0.2413(4) 0.0363(14) Uani 1 1 d .
O16 O 0.1056(2) 0.4096(2) 0.2764(5) 0.0414(15) Uani 1 1 d .
O17 O 0.1369(2) 0.5539(2) -0.1072(5) 0.0388(15) Uani 1 1 d .
O18 O 0.2942(3) 0.4083(2) 0.4254(5) 0.0447(16) Uani 1 1 d .
O19 O 0.3264(2) 0.4495(2) 0.2458(4) 0.0345(13) Uani 1 1 d .
O20 O 0.2027(3) 0.5000 -0.0187(6) 0.0262(16) Uani 1 2 d S
O21 O 0.2407(2) 0.3045(2) 0.0751(4) 0.0373(14) Uani 1 1 d .
O22 O 0.2729(2) 0.3703(2) 0.2272(4) 0.0368(14) Uani 1 1 d .
O23 O 0.3598(2) 0.6043(2) -0.1111(5) 0.0449(16) Uani 1 1 d .
O24 O 0.0597(3) 0.5000 -0.0389(6) 0.0337(19) Uani 1 2 d S
O25 O 0.1998(3) 0.5000 -0.2146(6) 0.0279(17) Uani 1 2 d S
O26 O 0.3711(2) 0.5538(3) 0.0782(5) 0.0466(17) Uani 1 1 d .
N1 N 0.0533(4) 0.4451(4) -0.2422(7) 0.063(3) Uani 1 1 d .
N2 N 0.2666(4) 0.2681(3) 0.2945(6) 0.061(3) Uani 1 1 d .
N3 N 0.1674(4) 0.2686(3) 0.2210(7) 0.061(3) Uani 1 1 d .
N4 N -0.0247(3) 0.4457(3) -0.1389(7) 0.051(2) Uani 1 1 d .
N5 N 0.1873(3) 0.2066(3) 0.0741(7) 0.051(2) Uani 1 1 d .
N6 N 0.2858(3) 0.2069(3) 0.1452(6) 0.049(2) Uani 1 1 d .
C1 C 0.0273(5) 0.3978(5) -0.2322(11) 0.079(4) Uani 1 1 d .
C2 C 0.0043(5) 0.3991(4) -0.1333(10) 0.066(3) Uani 1 1 d .
C3 C 0.3133(6) 0.2449(5) 0.2996(9) 0.080(5) Uani 1 1 d .
C4 C 0.3251(5) 0.2341(5) 0.1933(9) 0.066(3) Uani 1 1 d .
C5 C 0.1429(4) 0.2346(5) 0.0591(10) 0.065(3) Uani 1 1 d .
C6 C 0.1258(5) 0.2448(5) 0.1610(12) 0.080(4) Uani 1 1 d .
K1 K 0.18393(13) 0.5000 -0.5390(2) 0.0504(8) Uani 1 2 d S
K2 K 0.29198(13) 0.5000 -0.2899(2) 0.0531(8) Uani 1 2 d S
Na1 Na 0.1304(4) 0.6270(5) -0.3859(8) 0.088(3) Uani 0.53 1 d PU
Na2 Na 0.0381(4) 0.2824(4) -0.0600(9) 0.078(3) Uani 0.50 1 d PU
Na3 Na 0.1834(5) 0.3412(4) 0.4535(9) 0.086(4) Uani 0.47 1 d PU
Na4 Na 0.0716(5) 0.3222(5) 0.3373(10) 0.095(4) Uani 0.50 1 d PU
O1W O 0.2115(5) 0.1497(5) 0.2771(9) 0.118(4) Uani 1 1 d U
O2W O -0.0027(7) 0.2705(7) -0.2529(13) 0.170(7) Uani 1 1 d U
O3W O 0.1332(6) 0.5000 -0.3677(11) 0.097(5) Uani 1 2 d SU
O4W O 0.2378(3) 0.4381(3) -0.4144(6) 0.067(2) Uani 1 1 d U
O5W O 0.3318(7) 0.5000 -0.4746(14) 0.129(7) Uani 1 2 d SU
O6W O 0.4642(12) 0.5702(12) 0.075(2) 0.117(11) Uiso 0.40 1 d P
O7W O 0.4472(9) 0.3167(10) 0.1009(18) 0.128(8) Uiso 0.56 1 d P
O8W O 0.4492(9) 0.6334(10) -0.1055(19) 0.132(9) Uiso 0.56 1 d P
O9W O 0.1421(10) 0.2492(11) 0.441(2) 0.129(9) Uiso 0.51 1 d P
O10W O 0.4383(18) 0.5000 -0.146(4) 0.165(18) Uiso 0.50 2 d SP
O11W O 0.0000 0.4271(18) -0.5000 0.165(18) Uiso 0.50 2 d SP
O12W O 0.3952(16) 0.4391(16) 0.417(3) 0.139(15) Uiso 0.35 1 d P
O13W O -0.0235(13) 0.1738(14) -0.278(3) 0.143(13) Uiso 0.41 1 d P
O14W O 0.3618(15) 0.4149(15) -0.307(3) 0.149(14) Uiso 0.40 1 d P
O15W O 0.2795(8) 0.3189(8) 0.5237(16) 0.121(7) Uiso 0.62 1 d P
O16W O 0.0000 0.3356(14) -0.5000 0.138(12) Uiso 0.58 2 d SP
O17W O 0.0503(12) 0.4768(12) -0.632(2) 0.131(12) Uiso 0.40 1 d P
O18W O 0.4296(7) 0.2071(8) 0.3892(15) 0.141(7) Uiso 0.75 1 d P
O19W O 0.0925(8) 0.4409(8) -0.5425(16) 0.146(7) Uiso 0.75 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
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'
Na Na 0.0362 0.0249 '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'
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
O21 Nb1 O4 99.0(3) . .
O21 Nb1 O22 98.9(3) . .
O4 Nb1 O22 95.3(3) . .
O21 Nb1 O14 100.8(3) . .
O4 Nb1 O14 86.5(2) . .
O22 Nb1 O14 159.7(2) . .
O21 Nb1 O8 100.8(3) . .
O4 Nb1 O8 159.8(2) . .
O22 Nb1 O8 85.0(3) . .
O14 Nb1 O8 86.5(2) . .
O21 Nb1 O11 169.0(2) . .
O4 Nb1 O11 74.1(2) . .
O22 Nb1 O11 73.6(2) . .
O14 Nb1 O11 87.5(2) . .
O8 Nb1 O11 86.8(2) . .
O21 Nb1 V1 102.9(2) . .
O4 Nb1 V1 46.66(19) . .
O22 Nb1 V1 138.4(2) . .
O14 Nb1 V1 39.85(17) . .
O8 Nb1 V1 124.22(18) . .
O11 Nb1 V1 78.83(15) . .
O21 Nb1 V2 103.0(2) . .
O4 Nb1 V2 137.52(19) . .
O22 Nb1 V2 45.8(2) . .
O14 Nb1 V2 123.55(18) . .
O8 Nb1 V2 39.15(18) . .
O11 Nb1 V2 77.80(15) . .
V1 Nb1 V2 151.92(8) . .
O15 Nb2 O10 99.9(3) . .
O15 Nb2 O25 100.7(3) . .
O10 Nb2 O25 91.6(3) . .
O15 Nb2 O14 99.3(2) . 6_565
O10 Nb2 O14 87.6(2) . 6_565
O25 Nb2 O14 159.8(2) . 6_565
O15 Nb2 O17 101.8(3) . .
O10 Nb2 O17 157.5(2) . .
O25 Nb2 O17 90.4(3) . .
O14 Nb2 O17 82.9(3) 6_565 .
O15 Nb2 O20 172.7(3) . .
O10 Nb2 O20 86.1(3) . .
O25 Nb2 O20 74.8(2) . .
O14 Nb2 O20 85.0(2) 6_565 .
O17 Nb2 O20 72.8(3) . .
O15 Nb2 V1 103.3(2) . 6_565
O10 Nb2 V1 122.98(18) . 6_565
O25 Nb2 V1 132.7(2) . 6_565
O14 Nb2 V1 37.74(17) 6_565 6_565
O17 Nb2 V1 45.1(2) . 6_565
O20 Nb2 V1 76.54(16) . 6_565
O15 Nb2 K2 85.8(2) . .
O10 Nb2 K2 47.76(18) . .
O25 Nb2 K2 49.8(2) . .
O14 Nb2 K2 135.07(18) 6_565 .
O17 Nb2 K2 140.1(2) . .
O20 Nb2 K2 95.29(17) . .
V1 Nb2 K2 168.77(8) 6_565 .
O18 Nb3 O6 101.2(3) . .
O18 Nb3 O13 99.6(3) . .
O6 Nb3 O13 92.6(3) . .
O18 Nb3 O19 99.5(3) . .
O6 Nb3 O19 87.2(3) . .
O13 Nb3 O19 160.5(2) . .
O18 Nb3 O22 100.0(3) . .
O6 Nb3 O22 157.4(3) . .
O13 Nb3 O22 91.2(3) . .
O19 Nb3 O22 81.9(3) . .
O18 Nb3 O11 170.8(3) . .
O6 Nb3 O11 87.0(3) . .
O13 Nb3 O11 75.6(2) . .
O19 Nb3 O11 84.9(2) . .
O22 Nb3 O11 72.5(2) . .
O18 Nb3 V2 102.9(2) . .
O6 Nb3 V2 122.7(3) . .
O13 Nb3 V2 132.39(17) . .
O19 Nb3 V2 37.98(18) . .
O22 Nb3 V2 43.9(2) . .
O11 Nb3 V2 75.63(15) . .
O18 Nb3 K1 87.6(2) . 1_556
O6 Nb3 K1 47.5(3) . 1_556
O13 Nb3 K1 50.17(17) . 1_556
O19 Nb3 K1 134.49(18) . 1_556
O22 Nb3 K1 141.4(2) . 1_556
O11 Nb3 K1 95.08(14) . 1_556
V2 Nb3 K1 167.66(7) . 1_556
O16 Nb4 O7 100.6(3) . .
O16 Nb4 O13 99.8(3) . .
O7 Nb4 O13 91.6(3) . .
O16 Nb4 O5 99.8(3) . .
O7 Nb4 O5 87.7(3) . .
O13 Nb4 O5 160.2(2) . .
O16 Nb4 O4 100.6(3) . .
O7 Nb4 O4 158.0(3) . .
O13 Nb4 O4 90.3(2) . .
O5 Nb4 O4 83.2(2) . .
O16 Nb4 O11 171.3(3) . .
O7 Nb4 O11 86.7(3) . .
O13 Nb4 O11 75.0(2) . .
O5 Nb4 O11 85.2(2) . .
O4 Nb4 O11 72.7(2) . .
O16 Nb4 V1 103.0(2) . .
O7 Nb4 V1 124.0(2) . .
O13 Nb4 V1 132.22(18) . .
O5 Nb4 V1 38.65(17) . .
O4 Nb4 V1 44.58(19) . .
O11 Nb4 V1 76.36(14) . .
O16 Nb4 K1 87.0(2) . 1_556
O7 Nb4 K1 46.7(2) . 1_556
O13 Nb4 K1 50.06(17) . 1_556
O5 Nb4 K1 134.20(16) . 1_556
O4 Nb4 K1 140.36(19) . 1_556
O11 Nb4 K1 94.70(14) . 1_556
V1 Nb4 K1 168.20(7) . 1_556
O23 Nb5 O10 101.2(3) . .
O23 Nb5 O12 99.6(3) . .
O10 Nb5 O12 91.8(3) . .
O23 Nb5 O8 99.6(3) . 6_565
O10 Nb5 O8 88.5(2) . 6_565
O12 Nb5 O8 160.3(3) . 6_565
O23 Nb5 O26 100.1(3) . .
O10 Nb5 O26 157.9(3) . .
O12 Nb5 O26 90.4(3) . .
O8 Nb5 O26 82.2(3) 6_565 .
O23 Nb5 O9 170.6(3) . .
O10 Nb5 O9 87.0(3) . .
O12 Nb5 O9 75.2(2) . .
O8 Nb5 O9 85.2(2) 6_565 .
O26 Nb5 O9 72.4(3) . .
O23 Nb5 V2 102.7(2) . 6_565
O10 Nb5 V2 123.23(18) . 6_565
O12 Nb5 V2 132.7(3) . 6_565
O8 Nb5 V2 37.11(18) 6_565 6_565
O26 Nb5 V2 45.1(2) . 6_565
O9 Nb5 V2 76.17(17) . 6_565
O23 Nb5 K2 87.2(2) . .
O10 Nb5 K2 46.03(18) . .
O12 Nb5 K2 51.0(3) . .
O8 Nb5 K2 134.30(18) 6_565 .
O26 Nb5 K2 141.4(2) . .
O9 Nb5 K2 95.28(17) . .
V2 Nb5 K2 167.43(8) 6_565 .
O24 Nb6 O5 100.5(3) . 6_565
O24 Nb6 O5 100.5(3) . .
O5 Nb6 O5 86.3(3) 6_565 .
O24 Nb6 O17 99.4(3) . 6_565
O5 Nb6 O17 159.7(3) 6_565 6_565
O5 Nb6 O17 85.9(3) . 6_565
O24 Nb6 O17 99.4(3) . .
O5 Nb6 O17 85.9(3) 6_565 .
O5 Nb6 O17 159.7(3) . .
O17 Nb6 O17 95.0(4) 6_565 .
O24 Nb6 O20 169.5(3) . .
O5 Nb6 O20 87.1(2) 6_565 .
O5 Nb6 O20 87.1(2) . .
O17 Nb6 O20 73.8(2) 6_565 .
O17 Nb6 O20 73.8(2) . .
O24 Nb6 V1 103.23(6) . 6_565
O5 Nb6 V1 39.70(17) 6_565 6_565
O5 Nb6 V1 123.75(17) . 6_565
O17 Nb6 V1 137.55(19) 6_565 6_565
O17 Nb6 V1 46.2(2) . 6_565
O20 Nb6 V1 77.98(6) . 6_565
O24 Nb6 V1 103.23(6) . .
O5 Nb6 V1 123.75(17) 6_565 .
O5 Nb6 V1 39.70(17) . .
O17 Nb6 V1 46.2(2) 6_565 .
O17 Nb6 V1 137.55(19) . .
O20 Nb6 V1 77.98(6) . .
V1 Nb6 V1 151.42(12) 6_565 .
O3 Nb7 O19 100.3(3) . 6_565
O3 Nb7 O19 100.3(3) . .
O19 Nb7 O19 87.9(4) 6_565 .
O3 Nb7 O26 99.9(3) . 6_565
O19 Nb7 O26 159.5(3) 6_565 6_565
O19 Nb7 O26 85.4(3) . 6_565
O3 Nb7 O26 99.9(3) . .
O19 Nb7 O26 85.4(3) 6_565 .
O19 Nb7 O26 159.5(3) . .
O26 Nb7 O26 94.3(4) 6_565 .
O3 Nb7 O9 169.2(4) . .
O19 Nb7 O9 87.4(2) 6_565 .
O19 Nb7 O9 87.4(2) . .
O26 Nb7 O9 73.0(2) 6_565 .
O26 Nb7 O9 73.0(2) . .
O3 Nb7 V2 103.71(7) . 6_565
O19 Nb7 V2 39.09(19) 6_565 6_565
O19 Nb7 V2 124.5(2) . 6_565
O26 Nb7 V2 136.7(2) 6_565 6_565
O26 Nb7 V2 46.3(2) . 6_565
O9 Nb7 V2 77.52(7) . 6_565
O3 Nb7 V2 103.71(7) . .
O19 Nb7 V2 124.5(2) 6_565 .
O19 Nb7 V2 39.09(19) . .
O26 Nb7 V2 46.3(2) 6_565 .
O26 Nb7 V2 136.7(2) . .
O9 Nb7 V2 77.52(7) . .
V2 Nb7 V2 150.65(13) 6_565 .
O20 Ge1 O11 110.3(2) . 6_565
O20 Ge1 O11 110.3(2) . .
O11 Ge1 O11 108.6(4) 6_565 .
O20 Ge1 O9 108.3(4) . .
O11 Ge1 O9 109.6(2) 6_565 .
O11 Ge1 O9 109.6(2) . .
N4 Cu1 N4 94.5(5) . 6_565
N4 Cu1 N1 177.9(4) . 6_565
N4 Cu1 N1 85.2(4) 6_565 6_565
N4 Cu1 N1 85.2(4) . .
N4 Cu1 N1 177.9(4) 6_565 .
N1 Cu1 N1 95.1(6) 6_565 .
N4 Cu1 O24 90.2(3) . .
N4 Cu1 O24 90.2(3) 6_565 .
N1 Cu1 O24 91.9(3) 6_565 .
N1 Cu1 O24 91.9(3) . .
N5 Cu2 N3 85.2(4) . .
N5 Cu2 N6 94.4(4) . .
N3 Cu2 N6 178.9(4) . .
N5 Cu2 N2 177.9(4) . .
N3 Cu2 N2 95.3(4) . .
N6 Cu2 N2 85.0(4) . .
N5 Cu2 O21 89.1(3) . .
N3 Cu2 O21 91.9(3) . .
N6 Cu2 O21 89.1(3) . .
N2 Cu2 O21 92.9(3) . .
O1 V1 O14 122.2(4) . .
O1 V1 O5 121.7(4) . .
O14 V1 O5 116.0(3) . .
O1 V1 O4 104.8(3) . .
O14 V1 O4 84.1(3) . .
O5 V1 O4 81.7(2) . .
O1 V1 O17 104.7(3) . 6_565
O14 V1 O17 81.0(3) . 6_565
O5 V1 O17 82.1(2) . 6_565
O4 V1 O17 150.5(3) . 6_565
O1 V1 Nb1 121.3(3) . .
O14 V1 Nb1 41.93(17) . .
O5 V1 Nb1 102.2(2) . .
O4 V1 Nb1 42.19(18) . .
O17 V1 Nb1 119.0(2) 6_565 .
O1 V1 Nb6 120.9(3) . .
O14 V1 Nb6 101.42(19) . .
O5 V1 Nb6 40.51(17) . .
O4 V1 Nb6 118.47(19) . .
O17 V1 Nb6 41.60(17) 6_565 .
Nb1 V1 Nb6 117.75(9) . .
O1 V1 Nb2 120.7(3) . 6_565
O14 V1 Nb2 39.81(17) . 6_565
O5 V1 Nb2 102.36(19) . 6_565
O4 V1 Nb2 120.0(2) . 6_565
O17 V1 Nb2 41.23(17) 6_565 6_565
Nb1 V1 Nb2 79.70(8) . 6_565
Nb6 V1 Nb2 69.78(6) . 6_565
O1 V1 Nb4 120.7(3) . .
O14 V1 Nb4 103.6(2) . .
O5 V1 Nb4 40.31(17) . .
O4 V1 Nb4 41.40(17) . .
O17 V1 Nb4 118.76(19) 6_565 .
Nb1 V1 Nb4 70.30(7) . .
Nb6 V1 Nb4 78.83(7) . .
Nb2 V1 Nb4 118.60(9) 6_565 .
O2 V2 O8 123.2(4) . .
O2 V2 O19 119.3(4) . .
O8 V2 O19 117.3(3) . .
O2 V2 O22 105.9(4) . .
O8 V2 O22 84.1(3) . .
O19 V2 O22 82.2(3) . .
O2 V2 O26 102.9(4) . 6_565
O8 V2 O26 81.4(3) . 6_565
O19 V2 O26 82.7(3) . 6_565
O22 V2 O26 151.2(3) . 6_565
O2 V2 Nb1 123.2(4) . .
O8 V2 Nb1 41.95(19) . .
O19 V2 Nb1 103.0(2) . .
O22 V2 Nb1 42.19(17) . .
O26 V2 Nb1 119.4(2) 6_565 .
O2 V2 Nb7 118.4(4) . .
O8 V2 Nb7 102.3(2) . .
O19 V2 Nb7 40.71(19) . .
O22 V2 Nb7 119.0(2) . .
O26 V2 Nb7 41.94(18) 6_565 .
Nb1 V2 Nb7 118.44(10) . .
O2 V2 Nb5 120.5(4) . 6_565
O8 V2 Nb5 39.75(18) . 6_565
O19 V2 Nb5 103.4(2) . 6_565
O22 V2 Nb5 120.1(2) . 6_565
O26 V2 Nb5 41.61(19) 6_565 6_565
Nb1 V2 Nb5 79.61(8) . 6_565
Nb7 V2 Nb5 70.42(7) . 6_565
O2 V2 Nb3 120.4(4) . .
O8 V2 Nb3 104.0(2) . .
O19 V2 Nb3 40.57(19) . .
O22 V2 Nb3 41.59(17) . .
O26 V2 Nb3 119.4(2) 6_565 .
Nb1 V2 Nb3 70.46(7) . .
Nb7 V2 Nb3 79.11(8) . .
Nb5 V2 Nb3 119.00(10) 6_565 .
V1 O1 Na2 176.6(5) . .
Nb1 O4 Nb4 119.3(3) . .
Nb1 O4 V1 91.2(3) . .
Nb4 O4 V1 94.0(3) . .
V1 O5 Nb6 99.8(3) . .
V1 O5 Nb4 101.0(3) . .
Nb6 O5 Nb4 148.8(3) . .
Nb3 O6 Nb3 152.0(5) 6_565 .
Nb3 O6 K1 102.4(3) 6_565 1_556
Nb3 O6 K1 102.4(3) . 1_556
Nb4 O7 Nb4 150.7(5) 6_565 .
Nb4 O7 K1 103.4(2) 6_565 1_556
Nb4 O7 K1 103.4(2) . 1_556
V2 O8 Nb1 98.9(3) . .
V2 O8 Nb5 103.1(3) . 6_565
Nb1 O8 Nb5 147.8(3) . 6_565
Ge1 O9 Nb7 122.3(4) . .
Ge1 O9 Nb5 123.3(3) . 6_565
Nb7 O9 Nb5 94.5(2) . 6_565
Ge1 O9 Nb5 123.3(3) . .
Nb7 O9 Nb5 94.5(2) . .
Nb5 O9 Nb5 90.7(3) 6_565 .
Nb5 O10 Nb2 151.0(3) . .
Nb5 O10 K2 104.8(2) . .
Nb2 O10 K2 102.0(2) . .
Ge1 O11 Nb1 122.7(3) . .
Ge1 O11 Nb3 124.2(3) . .
Nb1 O11 Nb3 94.00(19) . .
Ge1 O11 Nb4 123.1(3) . .
Nb1 O11 Nb4 93.5(2) . .
Nb3 O11 Nb4 90.56(18) . .
Nb5 O12 Nb5 118.5(4) . 6_565
Nb5 O12 K2 98.4(3) . .
Nb5 O12 K2 98.4(3) 6_565 .
Nb3 O13 Nb4 118.6(3) . .
Nb3 O13 Na3 117.9(4) . .
Nb4 O13 Na3 116.2(4) . .
Nb3 O13 K1 99.0(2) . 1_556
Nb4 O13 K1 98.8(2) . 1_556
Na3 O13 K1 99.5(3) . 1_556
V1 O14 Nb1 98.2(3) . .
V1 O14 Nb2 102.4(3) . 6_565
Nb1 O14 Nb2 148.9(3) . 6_565
Nb2 O15 Na1 136.2(4) . .
Nb4 O16 Na4 137.5(5) . .
Nb6 O17 Nb2 119.4(3) . .
Nb6 O17 V1 92.1(3) . 6_565
Nb2 O17 V1 93.6(3) . 6_565
V2 O19 Nb7 100.2(3) . .
V2 O19 Nb3 101.4(3) . .
Nb7 O19 Nb3 147.6(3) . .
Ge1 O20 Nb6 122.5(4) . .
Ge1 O20 Nb2 124.0(2) . 6_565
Nb6 O20 Nb2 93.5(2) . 6_565
Ge1 O20 Nb2 124.0(2) . .
Nb6 O20 Nb2 93.5(2) . .
Nb2 O20 Nb2 90.4(3) 6_565 .
Nb1 O21 Cu2 128.7(3) . .
Nb1 O22 Nb3 119.2(3) . .
Nb1 O22 V2 92.0(3) . .
Nb3 O22 V2 94.5(3) . .
Nb6 O24 Cu1 129.4(4) . .
Nb2 O25 Nb2 119.7(4) . 6_565
Nb2 O25 K2 99.3(3) . .
Nb2 O25 K2 99.3(3) 6_565 .
Nb7 O26 Nb5 119.7(3) . .
Nb7 O26 V2 91.8(3) . 6_565
Nb5 O26 V2 93.3(3) . 6_565
C1 N1 Cu1 108.1(7) . .
C3 N2 Cu2 109.5(7) . .
C6 N3 Cu2 109.6(7) . .
C2 N4 Cu1 107.8(7) . .
C5 N5 Cu2 108.7(7) . .
C4 N6 Cu2 108.3(7) . .
N1 C1 C2 107.9(10) . .
N4 C2 C1 104.1(11) . .
N2 C3 C4 107.2(10) . .
N6 C4 C3 107.6(12) . .
N5 C5 C6 107.2(12) . .
C5 C6 N3 105.6(10) . .
O4W K1 O4W 74.4(4) 6_565 .
O4W K1 O7 135.3(2) 6_565 1_554
O4W K1 O7 135.3(2) . 1_554
O4W K1 O3W 78.3(3) 6_565 .
O4W K1 O3W 78.3(3) . .
O7 K1 O3W 131.5(4) 1_554 .
O4W K1 O6 85.1(2) 6_565 1_554
O4W K1 O6 85.1(2) . 1_554
O7 K1 O6 69.3(3) 1_554 1_554
O3W K1 O6 159.2(4) . 1_554
O4W K1 O13 77.2(2) 6_565 6_564
O4W K1 O13 135.1(3) . 6_564
O7 K1 O13 58.24(14) 1_554 6_564
O3W K1 O13 128.34(14) . 6_564
O6 K1 O13 58.32(15) 1_554 6_564
O4W K1 O13 135.1(3) 6_565 1_554
O4W K1 O13 77.2(2) . 1_554
O7 K1 O13 58.24(14) 1_554 1_554
O3W K1 O13 128.34(14) . 1_554
O6 K1 O13 58.32(15) 1_554 1_554
O13 K1 O13 100.5(2) 6_564 1_554
O4W K1 O19W 139.9(4) 6_565 .
O4W K1 O19W 97.8(5) . .
O7 K1 O19W 77.5(4) 1_554 .
O3W K1 O19W 61.6(5) . .
O6 K1 O19W 134.1(4) 1_554 .
O13 K1 O19W 125.9(4) 6_564 .
O13 K1 O19W 77.6(4) 1_554 .
O4W K1 O19W 97.8(5) 6_565 6_565
O4W K1 O19W 139.9(4) . 6_565
O7 K1 O19W 77.5(4) 1_554 6_565
O3W K1 O19W 61.6(5) . 6_565
O6 K1 O19W 134.1(4) 1_554 6_565
O13 K1 O19W 77.6(4) 6_564 6_565
O13 K1 O19W 125.9(4) 1_554 6_565
O19W K1 O19W 62.8(8) . 6_565
O4W K1 Nb3 70.76(18) 6_565 6_564
O4W K1 Nb3 105.8(2) . 6_564
O7 K1 Nb3 68.97(17) 1_554 6_564
O3W K1 Nb3 145.98(16) . 6_564
O6 K1 Nb3 30.11(4) 1_554 6_564
O13 K1 Nb3 30.87(12) 6_564 6_564
O13 K1 Nb3 84.73(13) 1_554 6_564
O19W K1 Nb3 146.5(4) . 6_564
O19W K1 Nb3 108.3(4) 6_565 6_564
O4W K1 Nb3 105.8(2) 6_565 1_554
O4W K1 Nb3 70.76(18) . 1_554
O7 K1 Nb3 68.97(17) 1_554 1_554
O3W K1 Nb3 145.98(16) . 1_554
O6 K1 Nb3 30.11(4) 1_554 1_554
O13 K1 Nb3 84.73(13) 6_564 1_554
O13 K1 Nb3 30.87(12) 1_554 1_554
O19W K1 Nb3 108.3(4) . 1_554
O19W K1 Nb3 146.5(4) 6_565 1_554
Nb3 K1 Nb3 59.78(6) 6_564 1_554
O4W K1 Nb4 153.9(2) 6_565 1_554
O4W K1 Nb4 107.40(17) . 1_554
O7 K1 Nb4 29.87(3) 1_554 1_554
O3W K1 Nb4 127.8(3) . 1_554
O6 K1 Nb4 69.29(16) 1_554 1_554
O13 K1 Nb4 84.61(13) 6_564 1_554
O13 K1 Nb4 31.15(12) 1_554 1_554
O19W K1 Nb4 66.2(4) . 1_554
O19W K1 Nb4 96.5(4) 6_565 1_554
Nb3 K1 Nb4 84.01(6) 6_564 1_554
Nb3 K1 Nb4 53.26(4) 1_554 1_554
O4W K2 O4W 74.2(4) . 6_565
O4W K2 O5W 72.9(4) . .
O4W K2 O5W 72.9(4) 6_565 .
O4W K2 O10 132.0(3) . .
O4W K2 O10 89.8(2) 6_565 .
O5W K2 O10 145.15(15) . .
O4W K2 O10 89.8(2) . 6_565
O4W K2 O10 132.0(3) 6_565 6_565
O5W K2 O10 145.15(16) . 6_565
O10 K2 O10 67.9(2) . 6_565
O4W K2 O25 74.1(2) . .
O4W K2 O25 74.1(2) 6_565 .
O5W K2 O25 138.3(5) . .
O10 K2 O25 57.94(18) . .
O10 K2 O25 57.94(18) 6_565 .
O4W K2 O12 141.55(19) . .
O4W K2 O12 141.55(19) 6_565 .
O5W K2 O12 122.6(5) . .
O10 K2 O12 56.95(17) . .
O10 K2 O12 56.95(17) 6_565 .
O25 K2 O12 99.1(2) . .
O4W K2 O14W 138.3(8) . 6_565
O4W K2 O14W 80.9(8) 6_565 6_565
O5W K2 O14W 68.0(8) . 6_565
O10 K2 O14W 79.7(8) . 6_565
O10 K2 O14W 131.2(8) 6_565 6_565
O25 K2 O14W 130.0(8) . 6_565
O12 K2 O14W 75.0(8) . 6_565
O4W K2 O14W 80.9(8) . .
O4W K2 O14W 138.3(8) 6_565 .
O5W K2 O14W 68.0(8) . .
O10 K2 O14W 131.2(8) . .
O10 K2 O14W 79.7(8) 6_565 .
O25 K2 O14W 130.0(8) . .
O12 K2 O14W 75.0(8) . .
O14W K2 O14W 97.1(16) 6_565 .
O4W K2 Nb2 102.8(2) . .
O4W K2 Nb2 71.28(18) 6_565 .
O5W K2 Nb2 143.6(3) . .
O10 K2 Nb2 30.19(13) . .
O10 K2 Nb2 68.76(14) 6_565 .
O25 K2 Nb2 30.88(8) . .
O12 K2 Nb2 83.80(16) . .
O14W K2 Nb2 100.1(8) 6_565 .
O14W K2 Nb2 148.2(7) . .
O4W K2 Nb2 71.28(18) . 6_565
O4W K2 Nb2 102.8(2) 6_565 6_565
O5W K2 Nb2 143.6(3) . 6_565
O10 K2 Nb2 68.76(14) . 6_565
O10 K2 Nb2 30.19(13) 6_565 6_565
O25 K2 Nb2 30.88(8) . 6_565
O12 K2 Nb2 83.80(16) . 6_565
O14W K2 Nb2 148.2(7) 6_565 6_565
O14W K2 Nb2 100.1(8) . 6_565
Nb2 K2 Nb2 53.45(5) . 6_565
O4W K2 Nb5 154.5(2) . .
O4W K2 Nb5 111.75(18) 6_565 .
O5W K2 Nb5 132.5(4) . .
O10 K2 Nb5 29.16(12) . .
O10 K2 Nb5 67.62(13) 6_565 .
O25 K2 Nb5 83.60(15) . .
O12 K2 Nb5 30.51(8) . .
O14W K2 Nb5 66.4(7) 6_565 .
O14W K2 Nb5 105.1(8) . .
Nb2 K2 Nb5 59.05(5) . .
Nb2 K2 Nb5 83.25(7) 6_565 .
O15 Na1 O18W 126.3(6) . 4
O15 Na1 Na3 103.3(5) . 6_564
O18W Na1 Na3 96.6(6) 4 6_564
O15 Na1 O19W 126.0(6) . 6_565
O18W Na1 O19W 106.1(7) 4 6_565
Na3 Na1 O19W 80.3(6) 6_564 6_565
O15 Na1 K1 85.2(3) . .
O18W Na1 K1 148.4(5) 4 .
Na3 Na1 K1 69.7(3) 6_564 .
O19W Na1 K1 44.9(5) 6_565 .
O1 Na2 O7W 126.1(7) . 7
O1 Na2 O2W 121.3(6) . .
O7W Na2 O2W 76.3(7) 7 .
O1 Na2 Na2 116.7(5) . 2
O7W Na2 Na2 104.4(6) 7 2
O2W Na2 Na2 104.2(7) . 2
O13 Na3 O9W 138.7(8) . .
O13 Na3 Na1 112.0(5) . 6_566
O9W Na3 Na1 94.0(7) . 6_566
O13 Na3 O15W 97.1(6) . .
O9W Na3 O15W 103.1(9) . .
Na1 Na3 O15W 110.7(6) 6_566 .
O13 Na3 Na4 93.5(4) . .
O9W Na3 Na4 57.6(7) . .
Na1 Na3 Na4 82.4(5) 6_566 .
O15W Na3 Na4 158.3(7) . .
O13 Na3 K1 42.0(2) . 1_556
O9W Na3 K1 154.8(8) . 1_556
Na1 Na3 K1 71.6(4) 6_566 1_556
O15W Na3 K1 101.4(6) . 1_556
Na4 Na3 K1 99.1(4) . 1_556
O2W Na4 O16 127.6(7) 2 .
O2W Na4 Na3 155.9(7) 2 .
O16 Na4 Na3 70.8(4) . .
Na4 O2W Na2 126.8(8) 2 .
K1 O4W K2 105.7(3) . .
Na1 O19W K1 92.3(7) 6_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nb1 O21 1.758(6) .
Nb1 O4 1.987(6) .
Nb1 O22 1.988(6) .
Nb1 O14 1.997(6) .
Nb1 O8 2.002(6) .
Nb1 O11 2.363(5) .
Nb1 V1 2.957(3) .
Nb1 V2 2.959(3) .
Nb2 O15 1.785(6) .
Nb2 O10 1.941(6) .
Nb2 O25 1.963(4) .
Nb2 O14 2.003(5) 6_565
Nb2 O17 2.017(6) .
Nb2 O20 2.391(5) .
Nb2 V1 3.055(3) 6_565
Nb2 K2 3.774(3) .
Nb3 O18 1.774(6) .
Nb3 O6 1.941(2) .
Nb3 O13 1.963(6) .
Nb3 O19 2.026(6) .
Nb3 O22 2.033(6) .
Nb3 O11 2.381(6) .
Nb3 V2 3.053(3) .
Nb3 K1 3.779(3) 1_556
Nb4 O16 1.774(6) .
Nb4 O7 1.939(2) .
Nb4 O13 1.982(6) .
Nb4 O5 2.015(6) .
Nb4 O4 2.027(6) .
Nb4 O11 2.392(6) .
Nb4 V1 3.057(3) .
Nb4 K1 3.787(3) 1_556
Nb5 O23 1.781(6) .
Nb5 O10 1.934(6) .
Nb5 O12 1.970(4) .
Nb5 O8 2.004(6) 6_565
Nb5 O26 2.030(7) .
Nb5 O9 2.379(6) .
Nb5 V2 3.052(3) 6_565
Nb5 K2 3.837(3) .
Nb6 O24 1.778(9) .
Nb6 O5 1.978(6) 6_565
Nb6 O5 1.978(6) .
Nb6 O17 1.994(6) 6_565
Nb6 O17 1.994(6) .
Nb6 O20 2.366(8) .
Nb6 V1 3.001(3) 6_565
Nb6 V1 3.001(3) .
Nb7 O3 1.782(10) .
Nb7 O19 1.983(6) 6_565
Nb7 O19 1.983(6) .
Nb7 O26 2.001(7) 6_565
Nb7 O26 2.001(7) .
Nb7 O9 2.369(8) .
Nb7 V2 2.993(3) 6_565
Nb7 V2 2.993(3) .
Ge1 O20 1.733(8) .
Ge1 O11 1.734(5) 6_565
Ge1 O11 1.734(5) .
Ge1 O9 1.742(8) .
Cu1 N4 2.017(9) .
Cu1 N4 2.017(9) 6_565
Cu1 N1 2.032(10) 6_565
Cu1 N1 2.032(10) .
Cu1 O24 2.336(8) .
Cu2 N5 2.004(9) .
Cu2 N3 2.004(10) .
Cu2 N6 2.009(9) .
Cu2 N2 2.018(10) .
Cu2 O21 2.375(6) .
V1 O1 1.602(8) .
V1 O14 1.915(6) .
V1 O5 1.945(6) .
V1 O4 2.151(7) .
V1 O17 2.169(7) 6_565
V1 Nb2 3.055(3) 6_565
V2 O2 1.511(9) .
V2 O8 1.891(7) .
V2 O19 1.917(7) .
V2 O22 2.124(8) .
V2 O26 2.165(8) 6_565
V2 Nb5 3.052(3) 6_565
O1 Na2 2.762(12) .
O6 Nb3 1.941(2) 6_565
O6 K1 2.853(9) 1_556
O7 Nb4 1.939(2) 6_565
O7 K1 2.833(9) 1_556
O8 Nb5 2.004(6) 6_565
O9 Nb5 2.379(6) 6_565
O10 K2 2.857(6) .
O12 Nb5 1.970(4) 6_565
O12 K2 3.017(10) .
O13 Na3 2.734(11) .
O13 K1 2.938(6) 1_556
O14 Nb2 2.003(5) 6_565
O15 Na1 2.727(13) .
O16 Na4 2.731(14) .
O17 V1 2.169(7) 6_565
O20 Nb2 2.391(5) 6_565
O25 Nb2 1.963(4) 6_565
O25 K2 2.921(9) .
O26 V2 2.165(8) 6_565
N1 C1 1.504(17) .
N2 C3 1.491(18) .
N3 C6 1.551(18) .
N4 C2 1.522(14) .
N5 C5 1.495(15) .
N6 C4 1.474(16) .
C1 C2 1.546(19) .
C3 C4 1.539(17) .
C5 C6 1.532(19) .
K1 O4W 2.793(9) 6_565
K1 O4W 2.793(9) .
K1 O7 2.833(9) 1_554
K1 O3W 2.842(15) .
K1 O6 2.853(9) 1_554
K1 O13 2.938(6) 6_564
K1 O13 2.938(6) 1_554
K1 O19W 3.09(2) .
K1 O19W 3.09(2) 6_565
K1 Nb3 3.779(3) 6_564
K1 Nb3 3.779(3) 1_554
K1 Nb4 3.787(3) 1_554
K2 O4W 2.799(9) .
K2 O4W 2.799(9) 6_565
K2 O5W 2.84(2) .
K2 O10 2.857(6) 6_565
K2 O14W 3.10(4) 6_565
K2 O14W 3.10(4) .
K2 Nb2 3.774(3) 6_565
Na1 O18W 2.79(2) 4
Na1 Na3 2.890(18) 6_564
Na1 O19W 2.98(2) 6_565
Na2 O7W 2.80(3) 7
Na2 O2W 2.83(2) .
Na2 Na2 2.83(2) 2
Na3 O9W 2.78(3) .
Na3 Na1 2.890(18) 6_566
Na3 O15W 2.94(3) .
Na3 Na4 3.54(2) .
Na3 K1 4.332(12) 1_556
Na4 O2W 2.64(2) 2
O2W Na4 2.64(2) 2
O7W Na2 2.80(3) 7
O17W O17W 1.26(6) 6_565
O18W Na1 2.79(2) 4_545
O19W Na1 2.98(2) 6_565
