#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:17:14 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175946 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/34/7223456.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_7223456
loop_
_publ_author_name
'Guo, Hai-Yang'
'Li, Zhi-Fang'
'Zhang, Xiao'
'Fu, Li-Wei'
'Hu, Yang-Yang'
'Guo, Lan-Lan'
'Cui, Xiao-Bing'
'Huo, Qi-Sheng'
'Xu, Ji-Qing'
_publ_section_title
;
 New self-assembly hybrid compounds based on arsenic--vanadium clusters
 and transition metal mixed-organic-ligand complexes
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              566
_journal_paper_doi               10.1039/C5CE01983D
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C48 H46 As8 N18 Ni5 O43 V14'
_chemical_formula_weight         3169.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-09-16 deposited with the CCDC.
2015-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.37(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.861(3)
_cell_length_b                   14.142(3)
_cell_length_c                   22.798(5)
_cell_measurement_reflns_used    995
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.06
_cell_measurement_theta_min      2.76
_cell_volume                     4597.1(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_laue_measured_fraction_full 0.981
_diffrn_reflns_laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25225
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.189
_diffrn_reflns_theta_max         25.189
_diffrn_reflns_theta_min         1.715
_exptl_absorpt_coefficient_mu    5.296
_exptl_absorpt_correction_T_max  0.545
_exptl_absorpt_correction_T_min  0.423
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2004/1 (Bruker,2004) was used for absorption correction.'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.289
_exptl_crystal_description       columnar
_exptl_crystal_F_000             3060
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.050
_refine_diff_density_min         -1.316
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         8118
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1041P)²+90.8226P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1909
_refine_ls_wR_factor_ref         0.2334
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5601
_reflns_number_total             8118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce01983d2.cif
_cod_data_source_block           shelx_1
_cod_depositor_comments
'Adding full bibliography for 7223456--7223462.cif.'
_cod_original_cell_volume        4597.1(17)
_cod_database_code               7223456
_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.
;
_shelx_estimated_absorpt_t_min   0.363
_shelx_estimated_absorpt_t_max   0.524
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
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
As1 As 0.09562(9) 0.94697(9) 0.45809(5) 0.0372(3) Uani 1 1 d . . .
As2 As -0.04550(9) 1.10830(8) 0.38215(6) 0.0355(3) Uani 1 1 d . . .
As3 As 0.16464(10) 0.64565(8) 0.18026(6) 0.0422(3) Uani 1 1 d . . .
As4 As 0.30599(9) 0.80748(9) 0.25497(6) 0.0428(3) Uani 1 1 d . . .
V5 V 0.0000 1.15125(17) 0.2500 0.0294(6) Uani 1 2 d S T P
V6 V 0.0000 0.59992(17) 0.2500 0.0336(6) Uani 1 2 d S T P
V7 V 0.12446(14) 0.87604(13) 0.12867(9) 0.0335(4) Uani 1 1 d . . .
V8 V 0.24022(14) 0.87661(13) 0.37737(9) 0.0350(5) Uani 1 1 d . . .
V9 V 0.20700(14) 1.01857(14) 0.23623(9) 0.0345(5) Uani 1 1 d . . .
V10 V 0.16700(13) 1.07407(13) 0.34748(9) 0.0333(5) Uani 1 1 d . . .
V11 V 0.17810(15) 0.67864(13) 0.33477(9) 0.0371(5) Uani 1 1 d . . .
V12 V 0.04137(15) 0.73474(13) 0.39438(9) 0.0366(5) Uani 1 1 d . . .
OW1 O 0.0000 0.8805(7) 0.2500 0.031(2) Uani 1 2 d S T P
Ni1 Ni 0.3472(3) 0.5466(5) 0.4234(2) 0.0922(18) Uani 0.5 1 d . . P
Ni2 Ni 0.5000 1.0040(4) 0.2500 0.0652(15) Uani 0.5 2 d S T P
Ni3 Ni 0.5000 1.0000 0.5000 0.0574(14) Uani 0.5 2 d S . P
Ni4 Ni 0.0000 1.5000 0.5000 0.1029(15) Uani 1 2 d S . P
Ni5 Ni -0.52467(16) 1.41800(19) 0.31070(12) 0.0813(7) Uani 1 1 d . . .
O22 O 0.1276(5) 0.6402(5) 0.2470(3) 0.0353(18) Uani 1 1 d . . .
O21 O 0.1290(5) 1.1122(5) 0.2610(3) 0.0325(17) Uani 1 1 d . . .
O20 O 0.0355(5) 1.1116(5) 0.3376(4) 0.0349(17) Uani 1 1 d . . .
O19 O 0.0510(6) 0.6467(5) 0.3319(4) 0.0378(18) Uani 1 1 d . . .
O18 O 0.2223(6) 0.8849(6) 0.2093(4) 0.043(2) Uani 1 1 d . . .
O17 O 0.2385(6) 0.9782(6) 0.3201(4) 0.0400(19) Uani 1 1 d . . .
O16 O 0.1633(6) 0.7742(6) 0.3918(4) 0.042(2) Uani 1 1 d . . .
O15 O 0.0000 1.2637(8) 0.2500 0.044(3) Uani 1 2 d S T P
O14 O 0.2525(6) 0.7839(5) 0.3130(4) 0.0394(19) Uani 1 1 d . . .
O13 O 0.0261(6) 1.0513(6) 0.4480(4) 0.0410(19) Uani 1 1 d . . .
O12 O 0.1782(7) 0.8754(6) 0.0778(4) 0.049(2) Uani 1 1 d . . .
O11 O 0.1579(6) 0.9695(5) 0.4040(3) 0.0360(18) Uani 1 1 d . . .
O10 O 0.0107(6) 0.8668(6) 0.4137(4) 0.044(2) Uani 1 1 d . . .
O9 O -0.1146(6) 1.0105(6) 0.3472(4) 0.044(2) Uani 1 1 d . . .
O8 O 0.0000 0.4872(8) 0.2500 0.053(3) Uani 1 2 d S T P
O7 O 0.3378(6) 0.8785(7) 0.4287(4) 0.054(2) Uani 1 1 d . . .
O6 O 0.0977(6) 0.7426(6) 0.1434(4) 0.050(2) Uani 1 1 d . . .
O5 O 0.2363(6) 1.1533(6) 0.3857(4) 0.053(2) Uani 1 1 d . . .
O4 O 0.2751(6) 0.7022(7) 0.2115(5) 0.053(2) Uani 1 1 d . . .
O3 O 0.2485(7) 0.5960(6) 0.3686(4) 0.055(2) Uani 1 1 d . . .
O2 O 0.2949(6) 1.0746(6) 0.2282(5) 0.051(2) Uani 1 1 d . . .
O1 O 0.0532(8) 0.6734(7) 0.4551(4) 0.060(3) Uani 1 1 d . . .
N8 N -0.6477(9) 1.3774(8) 0.2744(6) 0.060(3) Uani 1 1 d . . .
N4 N 0.0611(10) 1.4211(9) 0.4586(6) 0.064(3) Uani 1 1 d . . .
N9 N -0.7724(10) 1.2851(9) 0.2548(6) 0.063(3) Uani 1 1 d . . .
N6 N -0.4032(10) 1.3613(11) 0.3599(7) 0.074(4) Uani 1 1 d . . .
N7 N -0.4582(9) 1.5393(10) 0.3444(7) 0.070(4) Uani 1 1 d . . .
C16 C -0.3396(13) 1.4246(15) 0.3922(8) 0.077(5) Uani 1 1 d . . .
C10 C 0.1150(19) 1.3665(19) 0.3865(10) 0.113(9) Uani 1 1 d . . .
H10A H 0.1302 1.3616 0.3497 0.136 Uiso 1 1 calc R U .
N5 N 0.1265(14) 1.3005(11) 0.4311(11) 0.104(6) Uani 1 1 d . . .
N3 N 0.5307(14) 0.9968(14) 0.4336(9) 0.110(6) Uani 1 1 d . U .
N102 N 0.5477(14) 0.3816(14) 0.5134(8) 0.089(5) Uani 0.5 1 d . . P
C2 C 0.5477(14) 0.3816(14) 0.5134(8) 0.089(5) Uani 0.5 1 d . . P
N1 N 0.4068(11) 0.4296(12) 0.4495(7) 0.074(4) Uani 0.5 1 d . . P
C101 C 0.4068(11) 0.4296(12) 0.4495(7) 0.074(4) Uani 0.5 1 d . . P
C23 C -0.8033(13) 1.3773(13) 0.2470(10) 0.079(5) Uani 1 1 d . . .
H23A H -0.8650 1.3984 0.2343 0.095 Uiso 1 1 calc R U .
C11 C 0.0944(13) 1.3354(11) 0.4740(9) 0.069(5) Uani 1 1 d . . .
H11A H 0.0949 1.3046 0.5101 0.083 Uiso 1 1 calc R U .
C24 C -0.7244(13) 1.4304(11) 0.2619(8) 0.074(5) Uani 1 1 d . . .
H24A H -0.7240 1.4961 0.2631 0.089 Uiso 1 1 calc R U .
C18 C -0.3245(15) 1.6014(17) 0.4185(9) 0.086(6) Uani 1 1 d . U .
H18A H -0.2672 1.5889 0.4470 0.104 Uiso 1 1 calc R U .
C22 C -0.6805(12) 1.2912(11) 0.2713(8) 0.069(5) Uani 1 1 d . . .
H22A H -0.6418 1.2383 0.2801 0.083 Uiso 1 1 calc R U .
C4 C 0.4418(15) 0.2704(14) 0.4541(10) 0.090(6) Uani 1 1 d . . .
H4A H 0.4260 0.2082 0.4423 0.109 Uiso 1 1 calc R U .
C5 C 0.3827(14) 0.3385(13) 0.4309(8) 0.078(5) Uani 1 1 d . . .
C8 C 0.4824(16) 1.0116(19) 0.3711(10) 0.101(7) Uani 1 1 d . U .
H8A H 0.4189 1.0264 0.3575 0.121 Uiso 1 1 calc R U .
C21 C -0.4922(16) 1.6268(16) 0.3373(13) 0.107(7) Uani 1 1 d . . .
H21A H -0.5516 1.6365 0.3107 0.128 Uiso 1 1 calc R U .
N2 N 0.5360(16) 1.0025(16) 0.3339(9) 0.110(6) Uani 1 1 d . . .
C17 C -0.3757(13) 1.5279(15) 0.3855(8) 0.077(5) Uani 1 1 d . . .
C1 C 0.4886(14) 0.4512(13) 0.4903(7) 0.072(5) Uani 1 1 d . . .
C19 C -0.3553(18) 1.6879(19) 0.4104(11) 0.104(7) Uani 1 1 d . U .
H19A H -0.3199 1.7373 0.4322 0.124 Uiso 1 1 calc R U .
C7 C 0.6233(18) 0.9799(19) 0.4290(12) 0.111(8) Uani 1 1 d . . .
H7A H 0.6755 0.9688 0.4620 0.133 Uiso 1 1 calc R U .
C20 C -0.4428(19) 1.7055(16) 0.3682(13) 0.112(8) Uani 1 1 d . . .
H20A H -0.4671 1.7664 0.3610 0.135 Uiso 1 1 calc R U .
C15 C -0.2574(19) 1.397(2) 0.4287(13) 0.144(12) Uani 1 1 d . . .
H15A H -0.2170 1.4389 0.4544 0.173 Uiso 1 1 calc R U .
C13 C -0.291(2) 1.236(2) 0.3985(14) 0.148(12) Uani 1 1 d . . .
H13A H -0.2767 1.1722 0.3998 0.177 Uiso 1 1 calc R U .
C6 C 0.624(2) 0.982(2) 0.3707(14) 0.125(9) Uani 1 1 d . . .
H6A H 0.6770 0.9716 0.3571 0.150 Uiso 1 1 calc R U .
C3 C 0.5260(18) 0.2894(17) 0.4950(10) 0.103(7) Uani 1 1 d . . .
C9 C 0.0779(19) 1.4384(14) 0.4068(11) 0.106(8) Uani 1 1 d . . .
H9A H 0.0649 1.4959 0.3864 0.128 Uiso 1 1 calc R U .
C14 C -0.233(3) 1.297(3) 0.4268(16) 0.190(19) Uani 1 1 d . . .
H14A H -0.1723 1.2784 0.4471 0.228 Uiso 1 1 calc R U .
C12 C -0.3799(16) 1.2722(17) 0.3647(11) 0.107(8) Uani 1 1 d . . .
H12A H -0.4249 1.2287 0.3443 0.129 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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
O11 As1 O13 99.2(4) . .
O11 As1 O10 98.3(4) . .
O13 As1 O10 99.3(4) . .
O13 As2 O9 99.2(4) . .
O13 As2 O20 98.8(4) . .
O9 As2 O20 99.3(4) . .
O22 As3 O6 100.0(4) . .
O22 As3 O4 98.7(4) . .
O6 As3 O4 100.0(4) . .
O14 As4 O18 99.8(4) . .
O14 As4 O4 99.2(4) . .
O18 As4 O4 99.4(4) . .
O15 V5 O21 106.5(2) . .
O15 V5 O21 106.5(2) . 2
O21 V5 O21 146.9(5) . 2
O15 V5 O20 106.3(2) . 2
O21 V5 O20 91.3(3) . 2
O21 V5 O20 79.5(3) 2 2
O15 V5 O20 106.3(2) . .
O21 V5 O20 79.5(3) . .
O21 V5 O20 91.3(3) 2 .
O20 V5 O20 147.4(5) 2 .
O15 V5 V10 111.11(6) . .
O21 V5 V10 39.5(2) . .
O21 V5 V10 124.5(2) 2 .
O20 V5 V10 124.3(2) 2 .
O20 V5 V10 40.0(2) . .
O15 V5 V10 111.11(6) . 2
O21 V5 V10 124.5(2) . 2
O21 V5 V10 39.5(2) 2 2
O20 V5 V10 40.0(2) 2 2
O20 V5 V10 124.3(2) . 2
V10 V5 V10 137.78(11) . 2
O8 V6 O19 110.1(2) . 2
O8 V6 O19 110.1(2) . .
O19 V6 O19 139.8(5) 2 .
O8 V6 O22 106.5(2) . 2
O19 V6 O22 79.5(3) 2 2
O19 V6 O22 89.2(3) . 2
O8 V6 O22 106.5(2) . .
O19 V6 O22 89.2(3) 2 .
O19 V6 O22 79.5(3) . .
O22 V6 O22 146.9(4) 2 .
O8 V6 V11 111.66(6) . .
O19 V6 V11 122.0(3) 2 .
O19 V6 V11 38.4(3) . .
O22 V6 V11 122.8(2) 2 .
O22 V6 V11 41.2(2) . .
O8 V6 V11 111.66(6) . 2
O19 V6 V11 38.4(3) 2 2
O19 V6 V11 122.0(3) . 2
O22 V6 V11 41.2(2) 2 2
O22 V6 V11 122.8(2) . 2
V11 V6 V11 136.68(11) . 2
O12 V7 O10 107.2(5) . 2
O12 V7 O6 106.7(5) . .
O10 V7 O6 78.1(4) 2 .
O12 V7 O9 107.4(4) . 2
O10 V7 O9 93.1(4) 2 2
O6 V7 O9 145.9(4) . 2
O12 V7 O18 106.7(4) . .
O10 V7 O18 146.1(4) 2 .
O6 V7 O18 91.8(4) . .
O9 V7 O18 77.2(3) 2 .
O12 V7 V12 114.4(3) . 2
O10 V7 V12 39.0(2) 2 2
O6 V7 V12 39.2(3) . 2
O9 V7 V12 122.9(3) 2 2
O18 V7 V12 122.2(3) . 2
O7 V8 O16 110.5(4) . .
O7 V8 O17 108.7(4) . .
O16 V8 O17 140.8(4) . .
O7 V8 O11 106.0(5) . .
O16 V8 O11 89.9(4) . .
O17 V8 O11 79.9(3) . .
O7 V8 O14 107.2(5) . .
O16 V8 O14 79.4(4) . .
O17 V8 O14 88.8(3) . .
O11 V8 O14 146.8(3) . .
O7 V8 V10 110.4(4) . .
O16 V8 V10 122.8(3) . .
O17 V8 V10 39.0(2) . .
O11 V8 V10 41.0(2) . .
O14 V8 V10 122.8(2) . .
O7 V8 V11 112.7(4) . .
O16 V8 V11 38.5(3) . .
O17 V8 V11 121.7(3) . .
O11 V8 V11 123.2(3) . .
O14 V8 V11 41.0(2) . .
V10 V8 V11 136.89(9) . .
O2 V9 O17 106.6(5) . .
O2 V9 O21 105.8(4) . .
O17 V9 O21 84.9(3) . .
O2 V9 O9 106.6(5) . 2
O17 V9 O9 146.4(4) . 2
O21 V9 O9 90.5(3) . 2
O2 V9 O18 105.4(4) . .
O17 V9 O18 90.4(3) . .
O21 V9 O18 148.5(4) . .
O9 V9 O18 76.4(3) 2 .
O2 V9 V10 110.4(4) . .
O17 V9 V10 41.9(2) . .
O21 V9 V10 43.1(2) . .
O9 V9 V10 126.5(3) 2 .
O18 V9 V10 126.4(3) . .
O5 V10 O17 109.8(4) . .
O5 V10 O21 108.2(4) . .
O17 V10 O21 84.1(3) . .
O5 V10 O20 109.7(4) . .
O17 V10 O20 140.2(4) . .
O21 V10 O20 79.4(3) . .
O5 V10 O11 108.6(4) . .
O17 V10 O11 80.3(3) . .
O21 V10 O11 143.1(3) . .
O20 V10 O11 91.6(3) . .
O5 V10 V9 114.2(4) . .
O17 V10 V9 41.7(2) . .
O21 V10 V9 42.4(2) . .
O20 V10 V9 114.6(2) . .
O11 V10 V9 115.9(2) . .
O5 V10 V8 113.0(3) . .
O17 V10 V8 39.1(2) . .
O21 V10 V8 117.7(2) . .
O20 V10 V8 124.0(2) . .
O11 V10 V8 41.3(2) . .
V9 V10 V8 78.14(7) . .
O5 V10 V5 114.5(4) . .
O17 V10 V5 115.3(3) . .
O21 V10 V5 38.9(2) . .
O20 V10 V5 40.5(2) . .
O11 V10 V5 123.5(3) . .
V9 V10 V5 77.37(7) . .
V8 V10 V5 132.11(9) . .
O3 V11 O19 110.2(5) . .
O3 V11 O16 111.6(4) . .
O19 V11 O16 83.7(4) . .
O3 V11 O14 109.2(4) . .
O19 V11 O14 140.6(3) . .
O16 V11 O14 79.7(4) . .
O3 V11 O22 106.9(4) . .
O19 V11 O22 79.4(3) . .
O16 V11 O22 141.3(3) . .
O14 V11 O22 91.8(3) . .
O3 V11 V12 115.3(4) . .
O19 V11 V12 42.1(2) . .
O16 V11 V12 41.7(3) . .
O14 V11 V12 115.4(2) . .
O22 V11 V12 115.7(2) . .
O3 V11 V6 111.9(4) . .
O19 V11 V6 38.4(2) . .
O16 V11 V6 116.3(3) . .
O14 V11 V6 124.3(3) . .
O22 V11 V6 41.1(2) . .
V12 V11 V6 78.11(7) . .
O3 V11 V8 114.8(4) . .
O19 V11 V8 115.9(2) . .
O16 V11 V8 38.5(3) . .
O14 V11 V8 41.4(2) . .
O22 V11 V8 124.5(2) . .
V12 V11 V8 77.51(7) . .
V6 V11 V8 132.96(8) . .
O1 V12 O16 108.1(5) . .
O1 V12 O19 106.0(5) . .
O16 V12 O19 84.1(4) . .
O1 V12 O10 106.9(5) . .
O16 V12 O10 90.6(4) . .
O19 V12 O10 146.6(4) . .
O1 V12 O6 104.5(5) . 2
O16 V12 O6 147.2(4) . 2
O19 V12 O6 90.0(4) . 2
O10 V12 O6 76.8(3) . 2
O1 V12 V11 110.0(4) . .
O16 V12 V11 42.2(3) . .
O19 V12 V11 42.1(3) . .
O10 V12 V11 126.9(3) . .
O6 V12 V11 126.6(3) 2 .
O1 V12 V7 112.6(4) . 2
O16 V12 V7 121.4(3) . 2
O19 V12 V7 120.8(3) . 2
O10 V12 V7 38.4(3) . 2
O6 V12 V7 38.5(2) 2 2
V11 V12 V7 137.42(9) . 2
O3 Ni1 N1 141.6(7) . .
O3 Ni1 C2 127.4(7) . 3_666
N1 Ni1 C2 90.9(8) . 3_666
O3 Ni1 N102 127.4(7) . 3_666
N1 Ni1 N102 90.9(8) . 3_666
C2 Ni1 N102 0.0 3_666 3_666
N2 Ni2 N2 178.6(14) 2_655 .
N3 Ni3 N3 180.0 3_676 .
N4 Ni4 N4 180.0(9) 3_586 .
N8 Ni5 N6 137.6(6) . .
N8 Ni5 N7 137.7(6) . .
N6 Ni5 N7 82.0(6) . .
As3 O22 V6 125.0(4) . .
As3 O22 V11 137.0(4) . .
V6 O22 V11 97.7(4) . .
V5 O21 V9 143.5(4) . .
V5 O21 V10 101.6(3) . .
V9 O21 V10 94.5(3) . .
As2 O20 V10 137.2(4) . .
As2 O20 V5 123.2(4) . .
V10 O20 V5 99.4(4) . .
V6 O19 V11 103.2(4) . .
V6 O19 V12 148.0(5) . .
V11 O19 V12 95.7(4) . .
As4 O18 V7 135.6(5) . .
As4 O18 V9 121.6(4) . .
V7 O18 V9 102.9(4) . .
V9 O17 V10 96.4(4) . .
V9 O17 V8 147.6(5) . .
V10 O17 V8 101.9(4) . .
V12 O16 V8 146.7(5) . .
V12 O16 V11 96.0(4) . .
V8 O16 V11 103.0(4) . .
As4 O14 V11 136.7(5) . .
As4 O14 V8 125.3(4) . .
V11 O14 V8 97.7(4) . .
As2 O13 As1 132.5(5) . .
As1 O11 V10 136.9(4) . .
As1 O11 V8 125.3(4) . .
V10 O11 V8 97.7(3) . .
As1 O10 V7 134.1(5) . 2
As1 O10 V12 123.4(5) . .
V7 O10 V12 102.6(4) 2 .
As2 O9 V7 134.2(5) . 2
As2 O9 V9 122.4(4) . 2
V7 O9 V9 103.4(4) 2 2
As3 O6 V7 135.3(5) . .
As3 O6 V12 122.5(5) . 2
V7 O6 V12 102.3(4) . 2
As4 O4 As3 131.5(5) . .
V11 O3 Ni1 156.2(7) . .
C22 N8 C24 103.4(13) . .
C22 N8 Ni5 127.7(12) . .
C24 N8 Ni5 126.5(11) . .
C9 N4 C11 105.1(15) . .
C9 N4 Ni4 126.6(13) . .
C11 N4 Ni4 128.2(12) . .
C22 N9 C23 104.9(13) . .
C12 N6 C16 117.7(17) . .
C12 N6 Ni5 127.6(14) . .
C16 N6 Ni5 114.8(13) . .
C17 N7 C21 116.3(18) . .
C17 N7 Ni5 114.9(13) . .
C21 N7 Ni5 128.1(14) . .
C15 C16 N6 121(2) . .
C15 C16 C17 125(2) . .
N6 C16 C17 113.6(16) . .
C9 C10 N5 104.3(17) . .
C11 N5 C10 107.9(16) . .
C8 N3 C7 100(2) . .
C8 N3 Ni3 134.7(17) . .
C7 N3 Ni3 125.2(17) . .
C1 N102 C3 120.6(18) . .
C1 N102 Ni1 101.4(14) . 3_666
C3 N102 Ni1 137.9(16) . 3_666
C1 N1 C5 122.3(17) . .
C1 N1 Ni1 105.7(13) . .
C5 N1 Ni1 131.8(13) . .
C24 C23 N9 105.0(15) . .
N5 C11 N4 109.8(17) . .
N8 C24 C23 111.8(15) . .
C19 C18 C17 121(2) . .
N8 C22 N9 114.7(15) . .
C5 C4 C3 121(2) . .
C4 C5 N1 118.6(18) . .
N2 C8 N3 114(2) . .
N7 C21 C20 123(2) . .
C8 N2 C6 106(2) . .
C8 N2 Ni2 128.0(18) . .
C6 N2 Ni2 126(2) . .
N7 C17 C18 123(2) . .
N7 C17 C16 114.2(16) . .
C18 C17 C16 122.3(19) . .
N102 C1 N1 118.4(17) . .
N102 C1 C1 121(2) . 3_666
N1 C1 C1 121(2) . 3_666
C18 C19 C20 119(2) . .
C6 C7 N3 111(2) . .
C19 C20 C21 117(2) . .
C16 C15 C14 118(2) . .
C14 C13 C12 115(3) . .
C7 C6 N2 110(3) . .
C4 C3 N102 119(2) . .
N4 C9 C10 112.7(19) . .
C13 C14 C15 122(3) . .
N6 C12 C13 125(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
As1 O11 1.768(8) .
As1 O13 1.779(8) .
As1 O10 1.784(8) .
As2 O13 1.770(8) .
As2 O9 1.773(8) .
As2 O20 1.782(8) .
As3 O22 1.758(8) .
As3 O6 1.762(8) .
As3 O4 1.785(10) .
As4 O14 1.757(9) .
As4 O18 1.760(8) .
As4 O4 1.775(10) .
V5 O15 1.590(11) .
V5 O21 1.943(8) .
V5 O21 1.943(8) 2
V5 O20 1.996(8) 2
V5 O20 1.996(8) .
V5 V10 3.030(2) .
V5 V10 3.030(2) 2
V6 O8 1.594(11) .
V6 O19 1.924(8) 2
V6 O19 1.924(8) .
V6 O22 2.001(8) 2
V6 O22 2.001(8) .
V6 V11 3.016(2) .
V6 V11 3.016(2) 2
V7 O12 1.583(9) .
V7 O10 1.973(9) 2
V7 O6 1.977(8) .
V7 O9 1.996(8) 2
V7 O18 2.001(9) .
V7 V12 3.100(3) 2
V8 O7 1.586(9) .
V8 O16 1.930(9) .
V8 O17 1.937(8) .
V8 O11 2.001(8) .
V8 O14 2.014(8) .
V8 V10 3.005(3) .
V8 V11 3.021(3) .
V9 O2 1.581(9) .
V9 O17 1.922(8) .
V9 O21 1.945(7) .
V9 O9 2.011(9) 2
V9 O18 2.020(9) .
V9 V10 2.873(3) .
V10 O5 1.603(8) .
V10 O17 1.931(8) .
V10 O21 1.968(8) .
V10 O20 1.975(8) .
V10 O11 1.990(8) .
V11 O3 1.612(8) .
V11 O19 1.925(9) .
V11 O16 1.930(9) .
V11 O14 1.998(8) .
V11 O22 2.005(8) .
V11 V12 2.857(3) .
V12 O1 1.600(9) .
V12 O16 1.912(9) .
V12 O19 1.927(8) .
V12 O10 2.000(8) .
V12 O6 2.005(9) 2
V12 V7 3.100(3) 2
Ni1 O3 1.781(9) .
Ni1 N1 1.892(17) .
Ni1 C2 2.067(19) 3_666
Ni1 N102 2.067(19) 3_666
Ni2 N2 1.84(2) 2_655
Ni2 N2 1.84(2) .
Ni3 N3 1.70(2) 3_676
Ni3 N3 1.70(2) .
Ni4 N4 1.856(12) 3_586
Ni4 N4 1.856(12) .
Ni5 N8 1.872(13) .
Ni5 N6 2.005(15) .
Ni5 N7 2.020(14) .
O10 V7 1.973(9) 2
O9 V7 1.996(8) 2
O9 V9 2.011(9) 2
O6 V12 2.005(9) 2
N8 C22 1.308(18) .
N8 C24 1.33(2) .
N4 C9 1.30(2) .
N4 C11 1.32(2) .
N9 C22 1.31(2) .
N9 C23 1.38(2) .
N6 C12 1.30(3) .
N6 C16 1.36(2) .
N7 C17 1.33(2) .
N7 C21 1.33(3) .
C16 C15 1.33(3) .
C16 C17 1.55(3) .
C10 C9 1.30(3) .
C10 N5 1.35(3) .
N5 C11 1.30(2) .
N3 C8 1.42(3) .
N3 C7 1.43(3) .
N102 C1 1.33(3) .
N102 C3 1.38(3) .
N102 Ni1 2.067(19) 3_666
N1 C1 1.34(2) .
N1 C5 1.37(2) .
C23 C24 1.35(2) .
C18 C19 1.30(3) .
C18 C17 1.38(3) .
C4 C5 1.31(3) .
C4 C3 1.36(3) .
C8 N2 1.32(3) .
C21 C20 1.41(3) .
N2 C6 1.38(3) .
C1 C1 1.46(4) 3_666
C19 C20 1.40(3) .
C7 C6 1.33(3) .
C15 C14 1.45(4) .
C13 C14 1.26(4) .
C13 C12 1.42(3) .
