#------------------------------------------------------------------------------
#$Date: 2017-06-06 05:17:01 +0300 (Tue, 06 Jun 2017) $
#$Revision: 197554 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/32/7043258.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_7043258
loop_
_publ_author_name
'Hu, Jufang'
'Dong, Jing'
'Huang, Xianqiang'
'Chi, Yingnan'
'Lin, Zhengguo'
'Li, Jikun'
'Yang, Song'
'Ma, Hongwei'
'Hu, Changwen'
_publ_section_title
;
 Immobilization of Keggin Polyoxovanadoniobate in Crystalline Solids as
 Effective Heterogeneous Catalysts towards Selective Oxidation of
 Benzyl-Alkanes
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01122A
_journal_year                    2017
_chemical_formula_moiety
'(Nb12 O42 P V2 H2.5 7.5-), 2(C6 H24 Co N6 3+), [Co (C2 N2 H8)2 (H2 O)2, 3+]0.5, 20(H2 O)'
_chemical_formula_sum            'C14 H100.5 Co2.5 N14 Nb12 O63 P V2'
_chemical_formula_weight         2868.67
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2017-06-03
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2017-06-05 deposited with the CCDC.
2017-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                93.4430(10)
_cell_angle_beta                 105.1070(10)
_cell_angle_gamma                117.0460(10)
_cell_formula_units_Z            1
_cell_length_a                   12.8884(4)
_cell_length_b                   14.1118(5)
_cell_length_c                   14.5289(5)
_cell_measurement_reflns_used    7326
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.94
_cell_measurement_theta_min      2.44
_cell_volume                     2222.65(13)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22166
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.680
_diffrn_reflns_theta_min         1.656
_exptl_absorpt_coefficient_mu    2.256
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_primary    'light yellow'
_exptl_crystal_density_diffrn    2.143
_exptl_crystal_description       block
_exptl_crystal_F_000             1407
_refine_diff_density_max         2.290
_refine_diff_density_min         -2.468
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         8414
_refine_ls_number_restraints     627
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0934P)²+23.7442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1704
_refine_ls_wR_factor_ref         0.1965
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6012
_reflns_number_total             8414
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01122a2.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C14 H100.50 Co2.50 N14 Nb12 O63 P V2'
_cod_database_code               7043258
_shelx_shelxl_version_number     2014/7
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: O1P(0.5) O2P(0.5) O3P(0.5) O4P(0.5) Co2(0.25) O1W(0.5) H1WA(0.5)
 H1WB(0.5) N7(0.5) H7A(0.5) H7B(0.5) N8(0.5) H8A(0.5) H8B(0.5) C7(0.5) H7C(0.5)
 H7D(0.5) C8(0.5) H8C(0.5) H8D(0.5) O3W(0.5) H3WA(0.5) H3WB(0.5) O4W(0.5)
 H4WA(0.5) H4WB(0.5)
4.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
4.b Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2A,H2B), N3(H3A,H3B), N4(H4A,H4B), N5(H5A,H5B), N6(H6A,H6B),
 C1(H1C,H1D), C2(H2C,H2D), C3(H3C,H3D), C4(H4C,H4D), C5(H5C,H5D), C6(H6C,H6D),
 N7(H7A,H7B), N8(H8A,H8B), C7(H7C,H7D), C8(H8C,H8D)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Nb1 Nb 0.47375(6) 0.23559(6) 0.02001(6) 0.0301(2) Uani 1 1 d . U .
Nb2 Nb 0.38507(7) 0.62758(6) 0.15058(7) 0.0387(2) Uani 1 1 d . U .
Nb3 Nb 0.68072(8) 0.46079(8) 0.22291(8) 0.0453(3) Uani 1 1 d . U .
Nb4 Nb 0.17220(8) 0.40703(7) -0.05430(10) 0.0627(4) Uani 1 1 d . U .
Nb5 Nb 0.35704(9) 0.36466(9) 0.17232(8) 0.0557(3) Uani 1 1 d . U .
Nb6 Nb 0.71195(9) 0.72608(7) 0.20851(8) 0.0503(3) Uani 1 1 d . U .
V1 V 0.21460(13) 0.21059(12) -0.02708(14) 0.0424(4) Uani 1 1 d . U .
P1 P 0.5000 0.5000 0.0000 0.0236(6) Uani 1 2 d S TU P
O1 O 0.4478(6) 0.1031(6) 0.0253(7) 0.066(2) Uani 1 1 d . U .
O1P O 0.6283(10) 0.5542(10) 0.0935(9) 0.033(2) Uani 0.5 1 d . U .
O2 O 0.5732(6) 0.2704(6) -0.0612(5) 0.0454(16) Uani 1 1 d . U .
O2P O 0.4791(10) 0.3968(9) -0.0468(9) 0.031(2) Uani 0.5 1 d . U .
O3 O 0.3181(5) 0.1989(5) -0.0952(5) 0.0411(14) Uani 1 1 d . U .
O3P O 0.4003(9) 0.4838(9) 0.0550(9) 0.032(2) Uani 0.5 1 d . U .
O4 O 0.5618(6) 0.7000(7) 0.2237(5) 0.0561(19) Uani 1 1 d . U .
O4P O 0.5042(9) 0.5826(8) -0.0586(8) 0.026(2) Uani 0.5 1 d . U .
O5 O 0.0129(5) 0.3468(5) -0.0774(5) 0.0387(14) Uani 1 1 d . U .
O6 O 0.2082(6) 0.3211(5) 0.0499(6) 0.0608(18) Uani 1 1 d . U .
O7 O 0.3504(6) 0.2424(7) 0.0845(5) 0.0531(17) Uani 1 1 d . U .
O8 O 0.2805(7) 0.2928(6) 0.2469(6) 0.0580(19) Uani 1 1 d . U .
O9 O 0.5200(7) 0.4096(8) 0.2456(5) 0.065(2) Uani 1 1 d . U .
O10 O 0.6056(6) 0.3186(7) 0.1381(6) 0.0590(19) Uani 1 1 d . U .
O11 O 0.0994(7) 0.0936(6) -0.0365(6) 0.0569(19) Uani 1 1 d . U .
O12 O 0.8148(8) 0.8358(7) 0.3001(7) 0.075(2) Uani 1 1 d . U .
O13 O 0.7647(8) 0.4432(7) 0.3279(6) 0.072(2) Uani 1 1 d . U .
O14 O 0.3345(9) 0.6857(9) 0.2244(7) 0.080(3) Uani 1 1 d . U .
O15 O 0.1777(8) 0.2790(7) -0.1290(7) 0.072(2) Uani 1 1 d . U .
O16 O 0.2003(11) 0.4843(8) -0.1534(10) 0.105(3) Uani 1 1 d . U .
O17 O 0.7143(10) 0.6101(8) 0.2617(9) 0.092(3) Uani 1 1 d . U .
O19 O 0.3681(9) 0.4992(7) 0.2078(8) 0.088(3) Uani 1 1 d . U .
O20 O 0.2344(8) 0.5283(6) 0.0423(8) 0.092(3) Uani 1 1 d . U .
Co1 Co 0.83406(11) 0.19055(9) 0.09795(10) 0.0399(3) Uani 1 1 d . U .
N1 N 0.8717(8) 0.3339(7) 0.0664(8) 0.058(2) Uani 1 1 d . U .
H1A H 0.8893 0.3374 0.0110 0.069 Uiso 1 1 calc R . .
H1B H 0.8063 0.3432 0.0582 0.069 Uiso 1 1 calc R . .
N2 N 0.9110(7) 0.1600(7) 0.0099(7) 0.0501(19) Uani 1 1 d . U .
H2A H 0.9603 0.2217 -0.0044 0.060 Uiso 1 1 calc R . .
H2B H 0.9568 0.1316 0.0390 0.060 Uiso 1 1 calc R . .
N3 N 0.9936(8) 0.2697(7) 0.2041(8) 0.063(2) Uani 1 1 d . U .
H3A H 0.9810 0.2736 0.2613 0.076 Uiso 1 1 calc R . .
H3B H 1.0363 0.2347 0.2051 0.076 Uiso 1 1 calc R . .
N4 N 0.8002(8) 0.0515(7) 0.1385(7) 0.0500(19) Uani 1 1 d . U .
H4A H 0.7447 -0.0037 0.0891 0.060 Uiso 1 1 calc R . .
H4B H 0.8689 0.0467 0.1558 0.060 Uiso 1 1 calc R . .
N5 N 0.7459(9) 0.2053(8) 0.1857(7) 0.058(2) Uani 1 1 d . U .
H5A H 0.7993 0.2537 0.2403 0.069 Uiso 1 1 calc R . .
H5B H 0.6941 0.2282 0.1570 0.069 Uiso 1 1 calc R . .
N6 N 0.6841(7) 0.1222(6) -0.0147(6) 0.0377(16) Uani 1 1 d . U .
H6A H 0.6335 0.0560 -0.0084 0.045 Uiso 1 1 calc R . .
H6B H 0.6458 0.1614 -0.0181 0.045 Uiso 1 1 calc R . .
C1 C 0.7156(9) 0.1142(9) -0.1055(8) 0.049(2) Uani 1 1 d . U .
H1C H 0.7442 0.1832 -0.1261 0.059 Uiso 1 1 calc R . .
H1D H 0.6442 0.0590 -0.1576 0.059 Uiso 1 1 calc R . .
C2 C 0.8170(9) 0.0835(8) -0.0806(9) 0.049(2) Uani 1 1 d . U .
H2C H 0.7845 0.0092 -0.0710 0.059 Uiso 1 1 calc R . .
H2D H 0.8522 0.0894 -0.1328 0.059 Uiso 1 1 calc R . .
C3 C 0.9763(12) 0.4198(10) 0.1450(12) 0.082(4) Uani 1 1 d . U .
H3C H 0.9478 0.4391 0.1948 0.098 Uiso 1 1 calc R . .
H3D H 1.0171 0.4840 0.1196 0.098 Uiso 1 1 calc R . .
C4 C 0.6787(14) 0.1005(12) 0.2080(12) 0.078(4) Uani 1 1 d . U .
H4C H 0.6015 0.0566 0.1557 0.093 Uiso 1 1 calc R . .
H4D H 0.6606 0.1096 0.2676 0.093 Uiso 1 1 calc R . .
C5 C 1.0637(11) 0.3812(9) 0.1875(12) 0.079(4) Uani 1 1 d . U .
H5C H 1.1227 0.4299 0.2488 0.095 Uiso 1 1 calc R . .
H5D H 1.1085 0.3801 0.1436 0.095 Uiso 1 1 calc R . .
C6 C 0.7543(15) 0.0456(12) 0.2198(11) 0.079(4) Uani 1 1 d . U .
H6C H 0.8226 0.0808 0.2803 0.095 Uiso 1 1 calc R . .
H6D H 0.7048 -0.0298 0.2223 0.095 Uiso 1 1 calc R . .
Co2 Co 0.5000 0.5000 0.5000 0.0371(8) Uani 0.5 2 d S TU P
O1W O 0.5819(14) 0.5879(13) 0.4128(11) 0.060(4) Uani 0.5 1 d . U .
H1WA H 0.5418 0.6152 0.3745 0.091 Uiso 0.5 1 d R . .
H1WB H 0.5983 0.5430 0.3843 0.091 Uiso 0.5 1 d R . .
O2W O 0.3854(8) 0.1752(6) 0.4768(5) 0.058(2) Uani 1 1 d . U .
H2WA H 0.3626 0.1350 0.5148 0.087 Uiso 1 1 d R . .
H2WB H 0.3452 0.1389 0.4177 0.087 Uiso 1 1 d R . .
N7 N 0.6636(17) 0.5390(19) 0.5900(12) 0.061(4) Uani 0.5 1 d . U .
H7A H 0.7224 0.5892 0.5713 0.073 Uiso 0.5 1 calc R . .
H7B H 0.6716 0.5656 0.6501 0.073 Uiso 0.5 1 calc R . .
N8 N 0.4960(18) 0.3686(16) 0.4390(12) 0.051(4) Uani 0.5 1 d . U .
H8A H 0.4294 0.3093 0.4398 0.061 Uiso 0.5 1 calc R . .
H8B H 0.4930 0.3704 0.3772 0.061 Uiso 0.5 1 calc R . .
C7 C 0.673(4) 0.442(3) 0.588(3) 0.135(14) Uani 0.5 1 d . U .
H7C H 0.6400 0.4050 0.6359 0.162 Uiso 0.5 1 calc R . .
H7D H 0.7594 0.4624 0.6071 0.162 Uiso 0.5 1 calc R . .
C8 C 0.611(5) 0.365(4) 0.495(3) 0.18(2) Uani 0.5 1 d . U .
H8C H 0.5887 0.2926 0.5064 0.219 Uiso 0.5 1 calc R . .
H8D H 0.6664 0.3830 0.4571 0.219 Uiso 0.5 1 calc R . .
O3W O 0.8503(12) 0.2953(14) 0.7341(10) 0.061(5) Uani 0.5 1 d . U .
H3WA H 0.9144 0.3280 0.7856 0.092 Uiso 0.5 1 d R . .
H3WB H 0.7947 0.3097 0.7472 0.092 Uiso 0.5 1 d R . .
O4W O 0.430(3) 0.135(2) 0.2776(14) 0.134(12) Uani 0.5 1 d . U .
H4WA H 0.4570 0.1792 0.3283 0.201 Uiso 0.5 1 d R . .
H4WB H 0.4088 0.1604 0.2267 0.201 Uiso 0.5 1 d R . .
O5W O 0.0666(9) 0.0899(8) 0.1906(10) 0.103(4) Uani 1 1 d . U .
H5WA H 0.1335 0.1442 0.1877 0.154 Uiso 1 1 d R . .
H5WB H 0.0208 0.0437 0.1314 0.154 Uiso 1 1 d R . .
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'
Co Co 0.3494 0.9721 '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'
P P 0.1023 0.0942 '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'
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
O1 Nb1 V1 103.2(2) . .
O1 Nb1 O2 99.4(4) . .
O1 Nb1 O2P 160.9(4) . .
O1 Nb1 O3 99.0(3) . .
O1 Nb1 O4P 162.8(4) . 2_665
O1 Nb1 O7 101.0(3) . .
O1 Nb1 O10 102.1(4) . .
O2 Nb1 V1 127.1(2) . .
O2 Nb1 O2P 70.9(3) . .
O2 Nb1 O3 92.1(3) . .
O2 Nb1 O4P 96.5(3) . 2_665
O2 Nb1 O7 157.4(3) . .
O2 Nb1 O10 95.6(3) . .
O2P Nb1 V1 72.3(2) . .
O3 Nb1 V1 37.63(19) . .
O3 Nb1 O2P 65.9(3) . .
O3 Nb1 O4P 87.0(3) . 2_665
O3 Nb1 O7 75.0(3) . .
O4P Nb1 V1 71.8(2) 2_665 .
O4P Nb1 O2P 34.7(4) 2_665 .
O7 Nb1 V1 37.3(2) . .
O7 Nb1 O2P 86.7(3) . .
O7 Nb1 O4P 64.8(3) . 2_665
O10 Nb1 V1 124.6(2) . .
O10 Nb1 O2P 95.3(4) . .
O10 Nb1 O3 156.0(3) . .
O10 Nb1 O4P 69.6(4) . 2_665
O10 Nb1 O7 89.9(3) . .
O2 Nb2 O3P 94.9(3) 2_665 .
O2 Nb2 O19 157.1(4) 2_665 .
O4 Nb2 O2 87.3(3) . 2_665
O4 Nb2 O3P 91.2(3) . .
O4 Nb2 O19 87.9(4) . .
O4 Nb2 O20 155.4(4) . .
O14 Nb2 O2 102.4(4) . 2_665
O14 Nb2 O3P 159.4(4) . .
O14 Nb2 O4 100.7(4) . .
O14 Nb2 O19 100.6(5) . .
O14 Nb2 O20 103.9(5) . .
O19 Nb2 O3P 62.8(4) . .
O20 Nb2 O2 87.3(3) . 2_665
O20 Nb2 O3P 65.4(4) . .
O20 Nb2 O19 87.8(3) . .
O9 Nb3 O1P 92.6(3) . .
O10 Nb3 O1P 96.3(4) . .
O10 Nb3 O9 86.4(3) . .
O10 Nb3 O17 156.9(4) . .
O13 Nb3 O1P 158.6(4) . .
O13 Nb3 O9 100.7(4) . .
O13 Nb3 O10 101.2(4) . .
O13 Nb3 O16 101.9(5) . 2_665
O13 Nb3 O17 101.9(5) . .
O16 Nb3 O1P 66.3(4) 2_665 .
O16 Nb3 O9 157.4(4) 2_665 .
O16 Nb3 O10 88.2(4) 2_665 .
O16 Nb3 O17 88.6(4) 2_665 .
O17 Nb3 O1P 61.6(5) . .
O17 Nb3 O9 87.9(4) . .
O5 Nb4 V1 101.2(2) . .
O5 Nb4 O6 97.5(3) . .
O5 Nb4 O15 99.0(3) . .
O5 Nb4 O16 104.5(4) . .
O5 Nb4 O20 103.2(4) . .
O6 Nb4 V1 37.3(2) . .
O6 Nb4 O15 74.2(3) . .
O15 Nb4 V1 36.8(2) . .
O16 Nb4 V1 125.0(3) . .
O16 Nb4 O6 155.2(4) . .
O16 Nb4 O15 91.1(4) . .
O20 Nb4 V1 124.7(3) . .
O20 Nb4 O6 90.5(4) . .
O20 Nb4 O15 154.6(4) . .
O20 Nb4 O16 95.3(5) . .
O3P Nb5 V1 75.4(3) . .
O6 Nb5 V1 37.9(2) . .
O6 Nb5 O3P 65.8(3) . .
O7 Nb5 V1 37.55(18) . .
O7 Nb5 O3P 92.0(4) . .
O7 Nb5 O6 75.4(3) . .
O8 Nb5 V1 103.3(3) . .
O8 Nb5 O3P 157.5(4) . .
O8 Nb5 O6 99.0(4) . .
O8 Nb5 O7 100.4(3) . .
O8 Nb5 O9 100.9(4) . .
O8 Nb5 O19 100.6(5) . .
O9 Nb5 V1 126.2(3) . .
O9 Nb5 O3P 97.6(4) . .
O9 Nb5 O6 157.8(3) . .
O9 Nb5 O7 91.2(3) . .
O19 Nb5 V1 126.6(3) . .
O19 Nb5 O3P 65.1(5) . .
O19 Nb5 O6 91.7(3) . .
O19 Nb5 O7 156.9(4) . .
O19 Nb5 O9 94.4(4) . .
O1P Nb6 V1 74.1(3) . 2_665
O3 Nb6 V1 37.54(17) 2_665 2_665
O3 Nb6 O1P 90.8(3) 2_665 .
O3 Nb6 O15 74.5(3) 2_665 2_665
O4 Nb6 V1 124.3(2) . 2_665
O4 Nb6 O1P 96.1(3) . .
O4 Nb6 O3 89.9(3) . 2_665
O4 Nb6 O15 154.0(4) . 2_665
O12 Nb6 V1 104.6(3) . 2_665
O12 Nb6 O1P 158.5(4) . .
O12 Nb6 O3 100.9(3) . 2_665
O12 Nb6 O4 101.8(4) . .
O12 Nb6 O15 101.5(5) . 2_665
O12 Nb6 O17 103.1(5) . .
O15 Nb6 V1 37.0(2) 2_665 2_665
O15 Nb6 O1P 64.1(4) 2_665 .
O17 Nb6 V1 124.6(3) . 2_665
O17 Nb6 O1P 63.3(5) . .
O17 Nb6 O3 154.0(4) . 2_665
O17 Nb6 O4 94.8(4) . .
O17 Nb6 O15 90.9(3) . 2_665
Nb1 V1 Nb4 121.09(5) . .
Nb1 V1 Nb6 75.86(4) . 2_665
Nb5 V1 Nb1 75.92(5) . .
Nb5 V1 Nb4 76.04(5) . .
Nb5 V1 Nb6 121.46(5) . 2_665
Nb6 V1 Nb4 76.52(5) 2_665 .
O3 V1 Nb1 41.43(19) . .
O3 V1 Nb4 113.5(2) . .
O3 V1 Nb5 113.55(19) . .
O3 V1 Nb6 40.9(2) . 2_665
O6 V1 Nb1 113.7(2) . .
O6 V1 Nb4 41.5(2) . .
O6 V1 Nb5 41.5(2) . .
O6 V1 Nb6 114.3(3) . 2_665
O6 V1 O3 138.5(3) . .
O7 V1 Nb1 41.5(2) . .
O7 V1 Nb4 113.0(3) . .
O7 V1 Nb5 40.8(2) . .
O7 V1 Nb6 113.5(2) . 2_665
O7 V1 O3 83.0(3) . .
O7 V1 O6 82.3(3) . .
O11 V1 Nb1 119.5(3) . .
O11 V1 Nb4 119.4(3) . .
O11 V1 Nb5 118.9(3) . .
O11 V1 Nb6 119.6(3) . 2_665
O11 V1 O3 111.3(4) . .
O11 V1 O6 110.2(4) . .
O11 V1 O7 110.9(4) . .
O11 V1 O15 111.6(4) . .
O15 V1 Nb1 113.1(2) . .
O15 V1 Nb4 41.5(3) . .
O15 V1 Nb5 113.5(3) . .
O15 V1 Nb6 41.3(2) . 2_665
O15 V1 O3 82.3(3) . .
O15 V1 O6 83.0(4) . .
O15 V1 O7 137.5(4) . .
O1P P1 O1P 180.0 . 2_665
O2P P1 O1P 108.5(6) . .
O2P P1 O1P 108.5(6) 2_665 2_665
O2P P1 O1P 71.5(6) . 2_665
O2P P1 O1P 71.5(6) 2_665 .
O2P P1 O2P 180.0(9) . 2_665
O2P P1 O3P 68.6(6) . 2_665
O2P P1 O3P 111.4(6) . .
O2P P1 O3P 68.6(6) 2_665 .
O2P P1 O3P 111.4(6) 2_665 2_665
O2P P1 O4P 119.0(6) . .
O2P P1 O4P 119.0(6) 2_665 2_665
O2P P1 O4P 61.0(6) 2_665 .
O2P P1 O4P 61.0(6) . 2_665
O3P P1 O1P 79.2(6) . 2_665
O3P P1 O1P 100.8(6) . .
O3P P1 O1P 100.8(6) 2_665 2_665
O3P P1 O1P 79.2(6) 2_665 .
O3P P1 O3P 180.0 . 2_665
O4P P1 O1P 108.7(6) 2_665 2_665
O4P P1 O1P 71.3(6) 2_665 .
O4P P1 O1P 108.7(6) . .
O4P P1 O1P 71.3(6) . 2_665
O4P P1 O3P 73.1(5) . 2_665
O4P P1 O3P 106.9(5) 2_665 2_665
O4P P1 O3P 106.9(5) . .
O4P P1 O3P 73.1(5) 2_665 .
O4P P1 O4P 180.0 2_665 .
Nb6 O1P Nb3 93.7(4) . .
P1 O1P Nb3 125.7(6) . .
P1 O1P Nb6 125.1(6) . .
P1 O1P O2P 49.0(5) . 2_665
O2P O1P Nb3 140.9(7) 2_665 .
O2P O1P Nb6 76.2(5) 2_665 .
Nb1 O2 Nb2 136.4(4) . 2_665
P1 O2P Nb1 131.5(7) . .
P1 O2P O1P 59.5(6) . 2_665
P1 O2P O3P 60.6(6) . 2_665
P1 O2P O4P 60.5(6) . 2_665
O1P O2P Nb1 137.3(6) 2_665 .
O3P O2P Nb1 131.9(6) 2_665 .
O3P O2P O1P 90.5(7) 2_665 2_665
O4P O2P Nb1 71.1(6) 2_665 .
O4P O2P O1P 100.3(8) 2_665 2_665
O4P O2P O3P 101.1(9) 2_665 2_665
Nb6 O3 Nb1 132.6(3) 2_665 .
V1 O3 Nb1 100.9(3) . .
V1 O3 Nb6 101.5(3) . 2_665
Nb5 O3P Nb2 93.3(4) . .
P1 O3P Nb2 127.9(6) . .
P1 O3P Nb5 123.7(6) . .
P1 O3P O2P 50.8(5) . 2_665
O2P O3P Nb2 77.1(6) 2_665 .
O2P O3P Nb5 138.3(7) 2_665 .
Nb6 O4 Nb2 140.9(4) . .
P1 O4P Nb1 132.7(7) . 2_665
P1 O4P O2P 58.5(6) . 2_665
O2P O4P Nb1 74.3(6) 2_665 2_665
Nb5 O6 Nb4 131.9(4) . .
V1 O6 Nb4 101.2(4) . .
V1 O6 Nb5 100.6(3) . .
Nb5 O7 Nb1 132.7(4) . .
V1 O7 Nb1 101.1(3) . .
V1 O7 Nb5 101.6(3) . .
Nb5 O9 Nb3 137.6(4) . .
Nb1 O10 Nb3 138.3(4) . .
Nb6 O15 Nb4 132.9(4) 2_665 .
V1 O15 Nb4 101.7(4) . .
V1 O15 Nb6 101.7(3) . 2_665
Nb4 O16 Nb3 139.5(5) . 2_665
Nb6 O17 Nb3 141.1(7) . .
Nb5 O19 Nb2 138.5(7) . .
Nb4 O20 Nb2 140.8(5) . .
N1 Co1 N3 85.5(4) . .
N1 Co1 N4 176.3(4) . .
N1 Co1 N5 92.4(4) . .
N2 Co1 N1 93.0(4) . .
N2 Co1 N3 91.6(4) . .
N2 Co1 N4 89.6(4) . .
N2 Co1 N5 174.1(4) . .
N2 Co1 N6 85.3(3) . .
N4 Co1 N3 91.8(4) . .
N4 Co1 N5 85.1(4) . .
N5 Co1 N3 91.3(4) . .
N6 Co1 N1 90.0(3) . .
N6 Co1 N3 174.4(4) . .
N6 Co1 N4 92.9(3) . .
N6 Co1 N5 92.3(4) . .
Co1 N1 H1A 109.6 . .
Co1 N1 H1B 109.6 . .
H1A N1 H1B 108.2 . .
C3 N1 Co1 110.1(8) . .
C3 N1 H1A 109.6 . .
C3 N1 H1B 109.6 . .
Co1 N2 H2A 109.5 . .
Co1 N2 H2B 109.5 . .
H2A N2 H2B 108.1 . .
C2 N2 Co1 110.7(6) . .
C2 N2 H2A 109.5 . .
C2 N2 H2B 109.5 . .
Co1 N3 H3A 109.9 . .
Co1 N3 H3B 109.9 . .
H3A N3 H3B 108.3 . .
C5 N3 Co1 108.8(8) . .
C5 N3 H3A 109.9 . .
C5 N3 H3B 109.9 . .
Co1 N4 H4A 109.8 . .
Co1 N4 H4B 109.8 . .
H4A N4 H4B 108.3 . .
C6 N4 Co1 109.3(7) . .
C6 N4 H4A 109.8 . .
C6 N4 H4B 109.8 . .
Co1 N5 H5A 110.0 . .
Co1 N5 H5B 110.0 . .
H5A N5 H5B 108.4 . .
C4 N5 Co1 108.4(8) . .
C4 N5 H5A 110.0 . .
C4 N5 H5B 110.0 . .
Co1 N6 H6A 109.7 . .
Co1 N6 H6B 109.7 . .
H6A N6 H6B 108.2 . .
C1 N6 Co1 109.8(6) . .
C1 N6 H6A 109.7 . .
C1 N6 H6B 109.7 . .
N6 C1 H1C 110.5 . .
N6 C1 H1D 110.5 . .
N6 C1 C2 106.1(8) . .
H1C C1 H1D 108.7 . .
C2 C1 H1C 110.5 . .
C2 C1 H1D 110.5 . .
N2 C2 C1 106.5(8) . .
N2 C2 H2C 110.4 . .
N2 C2 H2D 110.4 . .
C1 C2 H2C 110.4 . .
C1 C2 H2D 110.4 . .
H2C C2 H2D 108.6 . .
N1 C3 H3C 109.8 . .
N1 C3 H3D 109.8 . .
N1 C3 C5 109.4(9) . .
H3C C3 H3D 108.2 . .
C5 C3 H3C 109.8 . .
C5 C3 H3D 109.8 . .
N5 C4 H4C 109.9 . .
N5 C4 H4D 109.9 . .
N5 C4 C6 109.0(11) . .
H4C C4 H4D 108.3 . .
C6 C4 H4C 109.9 . .
C6 C4 H4D 109.9 . .
N3 C5 H5C 109.9 . .
N3 C5 H5D 109.9 . .
C3 C5 N3 108.9(10) . .
C3 C5 H5C 109.9 . .
C3 C5 H5D 109.9 . .
H5C C5 H5D 108.3 . .
N4 C6 C4 109.1(11) . .
N4 C6 H6C 109.9 . .
N4 C6 H6D 109.9 . .
C4 C6 H6C 109.9 . .
C4 C6 H6D 109.9 . .
H6C C6 H6D 108.3 . .
O1W Co2 O1W 180.0(10) . 2_666
N7 Co2 O1W 88.8(8) . .
N7 Co2 O1W 91.2(8) 2_666 .
N7 Co2 O1W 91.2(8) . 2_666
N7 Co2 O1W 88.8(8) 2_666 2_666
N7 Co2 N7 180.0 2_666 .
N7 Co2 N8 92.7(8) 2_666 .
N7 Co2 N8 87.3(8) 2_666 2_666
N7 Co2 N8 92.7(8) . 2_666
N7 Co2 N8 87.3(8) . .
N8 Co2 O1W 92.3(7) 2_666 2_666
N8 Co2 O1W 87.7(7) 2_666 .
N8 Co2 O1W 87.7(7) . 2_666
N8 Co2 O1W 92.3(7) . .
N8 Co2 N8 180.0 2_666 .
Co2 O1W H1WA 116.9 . .
Co2 O1W H1WB 100.4 . .
H1WA O1W H1WB 116.7 . .
H2WA O2W H2WB 109.4 . .
Co2 N7 H7A 110.3 . .
Co2 N7 H7B 110.3 . .
H7A N7 H7B 108.6 . .
C7 N7 Co2 107.0(18) . .
C7 N7 H7A 110.3 . .
C7 N7 H7B 110.3 . .
Co2 N8 H8A 109.9 . .
Co2 N8 H8B 109.9 . .
H8A N8 H8B 108.3 . .
C8 N8 Co2 108.9(18) . .
C8 N8 H8A 109.9 . .
C8 N8 H8B 109.9 . .
N7 C7 H7C 108.2 . .
N7 C7 H7D 108.2 . .
N7 C7 C8 116(3) . .
H7C C7 H7D 107.4 . .
C8 C7 H7C 108.2 . .
C8 C7 H7D 108.2 . .
N8 C8 H8C 109.5 . .
N8 C8 H8D 109.5 . .
C7 C8 N8 111(3) . .
C7 C8 H8C 109.5 . .
C7 C8 H8D 109.5 . .
H8C C8 H8D 108.0 . .
H3WA O3W H3WB 104.9 . .
H4WA O4W H4WB 112.5 . .
H5WA O5W H5WB 111.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nb1 V1 3.0753(16) .
Nb1 O1 1.753(7) .
Nb1 O2 1.888(7) .
Nb1 O2P 2.506(11) .
Nb1 O3 2.073(6) .
Nb1 O4P 2.462(10) 2_665
Nb1 O7 2.079(7) .
Nb1 O10 1.906(7) .
Nb2 O2 1.983(7) 2_665
Nb2 O3P 2.500(12) .
Nb2 O4 1.962(7) .
Nb2 O14 1.730(9) .
Nb2 O19 1.984(9) .
Nb2 O20 1.968(9) .
Nb3 O1P 2.484(12) .
Nb3 O9 1.986(7) .
Nb3 O10 1.949(9) .
Nb3 O13 1.729(8) .
Nb3 O16 1.947(8) 2_665
Nb3 O17 1.961(10) .
Nb4 V1 3.0881(17) .
Nb4 O5 1.753(6) .
Nb4 O6 2.085(8) .
Nb4 O15 2.090(9) .
Nb4 O16 1.869(10) .
Nb4 O20 1.849(10) .
Nb5 V1 3.055(2) .
Nb5 O3P 2.456(12) .
Nb5 O6 2.059(7) .
Nb5 O7 2.038(8) .
Nb5 O8 1.719(7) .
Nb5 O9 1.868(7) .
Nb5 O19 1.868(9) .
Nb6 V1 3.075(2) 2_665
Nb6 O1P 2.456(13) .
Nb6 O3 2.057(7) 2_665
Nb6 O4 1.875(7) .
Nb6 O12 1.700(9) .
Nb6 O15 2.074(8) 2_665
Nb6 O17 1.860(9) .
V1 Nb6 3.075(2) 2_665
V1 O3 1.912(7) .
V1 O6 1.910(8) .
V1 O7 1.901(7) .
V1 O11 1.608(7) .
V1 O15 1.890(8) .
P1 O1P 1.649(12) 2_665
P1 O1P 1.649(12) .
P1 O2P 1.444(11) 2_665
P1 O2P 1.444(11) .
P1 O3P 1.623(12) .
P1 O3P 1.623(12) 2_665
P1 O4P 1.473(11) 2_665
P1 O4P 1.473(11) .
O1P O2P 1.815(15) 2_665
O2 Nb2 1.983(7) 2_665
O2P O1P 1.815(15) 2_665
O2P O3P 1.735(15) 2_665
O2P O4P 1.481(17) 2_665
O3 Nb6 2.057(7) 2_665
O3P O2P 1.735(15) 2_665
O4P Nb1 2.462(10) 2_665
O4P O2P 1.481(17) 2_665
O15 Nb6 2.074(8) 2_665
O16 Nb3 1.947(8) 2_665
Co1 N1 1.968(9) .
Co1 N2 1.947(9) .
Co1 N3 1.976(9) .
Co1 N4 1.971(8) .
Co1 N5 1.975(10) .
Co1 N6 1.952(8) .
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 C3 1.461(15) .
N2 H2A 0.8900 .
N2 H2B 0.8900 .
N2 C2 1.474(14) .
N3 H3A 0.8900 .
N3 H3B 0.8900 .
N3 C5 1.489(16) .
N4 H4A 0.8900 .
N4 H4B 0.8900 .
N4 C6 1.443(16) .
N5 H5A 0.8900 .
N5 H5B 0.8900 .
N5 C4 1.442(16) .
N6 H6A 0.8900 .
N6 H6B 0.8900 .
N6 C1 1.490(13) .
C1 H1C 0.9700 .
C1 H1D 0.9700 .
C1 C2 1.521(13) .
C2 H2C 0.9700 .
C2 H2D 0.9700 .
C3 H3C 0.9700 .
C3 H3D 0.9700 .
C3 C5 1.477(16) .
C4 H4C 0.9700 .
C4 H4D 0.9700 .
C4 C6 1.480(17) .
C5 H5C 0.9700 .
C5 H5D 0.9700 .
C6 H6C 0.9700 .
C6 H6D 0.9700 .
Co2 O1W 1.989(15) 2_666
Co2 O1W 1.988(15) .
Co2 N7 1.969(17) .
Co2 N7 1.969(17) 2_666
Co2 N8 1.979(17) 2_666
Co2 N8 1.979(17) .
O1W H1WA 0.8845 .
O1W H1WB 0.8683 .
O2W H2WA 0.8262 .
O2W H2WB 0.8614 .
N7 H7A 0.8900 .
N7 H7B 0.8900 .
N7 C7 1.43(4) .
N8 H8A 0.8900 .
N8 H8B 0.8900 .
N8 C8 1.52(4) .
C7 H7C 0.9700 .
C7 H7D 0.9700 .
C7 C8 1.44(5) .
C8 H8C 0.9700 .
C8 H8D 0.9700 .
O3W H3WA 0.8626 .
O3W H3WB 0.8889 .
O4W H4WA 0.8126 .
O4W H4WB 0.8704 .
O5W H5WA 0.8681 .
O5W H5WB 0.9112 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Nb1 V1 O15 Nb4 -111.4(3) . .
Nb1 V1 O15 Nb6 27.4(5) . 2_665
Nb4 V1 O15 Nb6 138.8(6) . 2_665
Nb5 V1 O15 Nb4 -27.3(4) . .
Nb5 V1 O15 Nb6 111.5(3) . 2_665
Nb6 V1 O15 Nb4 -138.8(6) 2_665 .
V1 Nb1 O2 Nb2 41.5(6) . 2_665
V1 Nb4 O16 Nb3 -39.9(13) . 2_665
V1 Nb4 O20 Nb2 40.8(11) . .
V1 Nb5 O9 Nb3 44.1(10) . .
V1 Nb5 O19 Nb2 -39.7(10) . .
V1 Nb6 O4 Nb2 42.2(9) 2_665 .
V1 Nb6 O17 Nb3 -37.2(11) 2_665 .
O1 Nb1 O2 Nb2 156.0(5) . 2_665
O1P Nb6 O4 Nb2 -32.7(8) . .
O1P Nb6 O17 Nb3 6.6(7) . .
O1P P1 O2P Nb1 -128.2(9) 2_665 .
O1P P1 O2P Nb1 51.8(9) . .
O1P P1 O2P O1P 180.001(2) . 2_665
O1P P1 O2P O3P -69.9(6) . 2_665
O1P P1 O2P O3P 110.1(6) 2_665 2_665
O1P P1 O2P O4P -124.9(7) 2_665 2_665
O1P P1 O2P O4P 55.1(7) . 2_665
O1P P1 O3P Nb2 -115.5(8) 2_665 .
O1P P1 O3P Nb2 64.5(8) . .
O1P P1 O3P Nb5 117.2(7) 2_665 .
O1P P1 O3P Nb5 -62.8(7) . .
O1P P1 O3P O2P 65.1(7) . 2_665
O1P P1 O3P O2P -114.9(7) 2_665 2_665
O1P P1 O4P Nb1 121.4(8) 2_665 2_665
O1P P1 O4P Nb1 -58.6(8) . 2_665
O1P P1 O4P O2P -55.2(7) . 2_665
O1P P1 O4P O2P 124.8(7) 2_665 2_665
O2P Nb1 O2 Nb2 -7.0(5) . 2_665
O2P P1 O1P Nb3 129.9(9) 2_665 .
O2P P1 O1P Nb3 -50.1(9) . .
O2P P1 O1P Nb6 2.9(7) 2_665 .
O2P P1 O1P Nb6 -177.1(7) . .
O2P P1 O1P O2P 179.999(3) . 2_665
O2P P1 O3P Nb2 -0.5(7) 2_665 .
O2P P1 O3P Nb2 179.5(7) . .
O2P P1 O3P Nb5 -127.9(8) 2_665 .
O2P P1 O3P Nb5 52.1(8) . .
O2P P1 O3P O2P 180.002(1) . 2_665
O2P P1 O4P Nb1 -3.4(6) 2_665 2_665
O2P P1 O4P Nb1 176.6(6) . 2_665
O2P P1 O4P O2P 180.000(4) . 2_665
O3 Nb1 O2 Nb2 56.6(5) . 2_665
O3 Nb6 O4 Nb2 58.2(8) 2_665 .
O3 Nb6 O17 Nb3 1.3(15) 2_665 .
O3 V1 O15 Nb4 -139.6(4) . .
O3 V1 O15 Nb6 -0.9(4) . 2_665
O3P Nb5 O9 Nb3 -33.4(9) . .
O3P Nb5 O19 Nb2 6.5(7) . .
O3P P1 O1P Nb3 67.0(8) . .
O3P P1 O1P Nb3 -113.0(8) 2_665 .
O3P P1 O1P Nb6 120.0(8) 2_665 .
O3P P1 O1P Nb6 -60.0(8) . .
O3P P1 O1P O2P 117.1(6) 2_665 2_665
O3P P1 O1P O2P -62.9(6) . 2_665
O3P P1 O2P Nb1 -58.3(9) . .
O3P P1 O2P Nb1 121.7(9) 2_665 .
O3P P1 O2P O1P 69.9(6) . 2_665
O3P P1 O2P O1P -110.1(6) 2_665 2_665
O3P P1 O2P O3P 180.001(1) . 2_665
O3P P1 O2P O4P -55.0(7) . 2_665
O3P P1 O2P O4P 125.0(7) 2_665 2_665
O3P P1 O4P Nb1 -130.5(9) 2_665 2_665
O3P P1 O4P Nb1 49.5(9) . 2_665
O3P P1 O4P O2P -127.1(7) 2_665 2_665
O3P P1 O4P O2P 52.9(7) . 2_665
O4 Nb6 O17 Nb3 101.0(9) . .
O4P Nb1 O2 Nb2 -30.7(6) 2_665 2_665
O4P P1 O1P Nb3 -0.9(6) 2_665 .
O4P P1 O1P Nb3 179.1(6) . .
O4P P1 O1P Nb6 -127.9(8) 2_665 .
O4P P1 O1P Nb6 52.1(8) . .
O4P P1 O1P O2P -130.8(7) 2_665 2_665
O4P P1 O1P O2P 49.2(7) . 2_665
O4P P1 O2P Nb1 -3.3(6) 2_665 .
O4P P1 O2P Nb1 176.7(6) . .
O4P P1 O2P O1P -55.1(7) . 2_665
O4P P1 O2P O1P 124.9(7) 2_665 2_665
O4P P1 O2P O3P -125.0(7) 2_665 2_665
O4P P1 O2P O3P 55.0(7) . 2_665
O4P P1 O2P O4P 179.998(2) . 2_665
O4P P1 O3P Nb2 -49.0(8) . .
O4P P1 O3P Nb2 131.0(8) 2_665 .
O4P P1 O3P Nb5 3.7(6) 2_665 .
O4P P1 O3P Nb5 -176.3(6) . .
O4P P1 O3P O2P 131.5(7) 2_665 2_665
O4P P1 O3P O2P -48.5(7) . 2_665
O5 Nb4 O16 Nb3 -155.1(10) . 2_665
O5 Nb4 O20 Nb2 154.7(9) . .
O6 Nb4 O16 Nb3 -3(2) . 2_665
O6 Nb4 O20 Nb2 56.8(10) . .
O6 Nb5 O9 Nb3 6.6(16) . .
O6 Nb5 O19 Nb2 -55.7(8) . .
O6 V1 O15 Nb4 1.5(3) . .
O6 V1 O15 Nb6 140.2(4) . 2_665
O7 Nb1 O2 Nb2 2.4(11) . 2_665
O7 Nb5 O9 Nb3 58.8(8) . .
O7 Nb5 O19 Nb2 -0.5(15) . .
O7 V1 O15 Nb4 -69.0(5) . .
O7 V1 O15 Nb6 69.8(7) . 2_665
O8 Nb5 O9 Nb3 159.5(8) . .
O8 Nb5 O19 Nb2 -155.2(7) . .
O9 Nb5 O19 Nb2 102.9(7) . .
O10 Nb1 O2 Nb2 -100.7(5) . 2_665
O11 V1 O15 Nb4 110.5(4) . .
O11 V1 O15 Nb6 -110.8(4) . 2_665
O12 Nb6 O4 Nb2 159.3(7) . .
O12 Nb6 O17 Nb3 -155.6(9) . .
O15 Nb4 O16 Nb3 -55.5(11) . 2_665
O15 Nb4 O20 Nb2 4.8(17) . .
O15 Nb6 O4 Nb2 5.8(14) 2_665 .
O15 Nb6 O17 Nb3 -53.6(9) 2_665 .
O16 Nb4 O20 Nb2 -99.1(10) . .
O17 Nb6 O4 Nb2 -96.2(8) . .
O19 Nb5 O9 Nb3 -98.8(8) . .
O20 Nb4 O16 Nb3 99.8(11) . 2_665
Co1 N1 C3 C5 34.6(16) . .
Co1 N2 C2 C1 38.2(9) . .
Co1 N3 C5 C3 35.5(14) . .
Co1 N4 C6 C4 34.5(14) . .
Co1 N5 C4 C6 38.4(14) . .
Co1 N6 C1 C2 39.6(9) . .
N1 C3 C5 N3 -46.0(18) . .
N5 C4 C6 N4 -48.6(17) . .
N6 C1 C2 N2 -49.9(10) . .
Co2 N7 C7 C8 34(5) . .
Co2 N8 C8 C7 14(6) . .
N7 C7 C8 N8 -32(7) . .
