#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/40/7114006.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_7114006
loop_
_publ_author_name
'Liu, Cai-Ming'
'Zhang, De-Qing'
'Xiong, Ming'
'Zhu, Dao-Ben'
_publ_section_title
;
 A novel two-dimensional mixed molybdenum--vanadium polyoxometalate with
 two types of cobalt(ii) complex fragments as bridgesElectronic
 supplementary information (ESI) available: synthesis and characterization
 of 1. Fig. S1: view of layers down the a axis of 1. Fig. S2: plots of \cT
 and χ--1 vs. T for 1. See http://www.rsc.org/suppdata/cc/b2/b202540j/
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1416
_journal_paper_doi               10.1039/b202540j
_journal_year                    2002
_chemical_formula_sum            'C44 H57 Co3 Mo8 N12 O48.5 P V8'
_chemical_formula_weight         2912.82
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.17(3)
_cell_angle_beta                 114.45(3)
_cell_angle_gamma                105.95(3)
_cell_formula_units_Z            2
_cell_length_a                   12.837(3)
_cell_length_b                   14.193(3)
_cell_length_c                   14.590(3)
_cell_measurement_reflns_used    6367
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.406
_cell_measurement_theta_min      2.511
_cell_volume                     2101.8(14)
_computing_cell_refinement
;
SMART:BRUKER MOLECULAR ANALYSIS Research
Tool V5.618 Copyr. 1997-00 BrukerAXS
;
_computing_data_collection
;
SMART:BRUKER MOLECULAR ANALYSIS Research
Tool V5.618 Copyr. 1997-00 BrukerAXS  
;
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;
Interactive Molecular Graphics XP, Virsion
4.2 for MSDOC(1990), Siemens Analytical
X-ray Instruments Inc., Madison, Wisconsin,
USA.
;
_computing_publication_material
;
Sheldrick, G. M.(1997) SHELXL97, Program
for the refinement of Crystal Structure,
University of Gottingen, Germany.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '15X15 microns'
_diffrn_measured_fraction_theta_full 0.892
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20147
_diffrn_reflns_theta_full        33.49
_diffrn_reflns_theta_max         33.49
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    2.683
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.780740
_exptl_absorpt_correction_type
;
empirical'(SADABS, Sheldrick 1996)
;
_exptl_crystal_colour            Dark
_exptl_crystal_density_diffrn    2.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1409
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.039
_refine_diff_density_min         -1.073
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         14695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0440
_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)+(0.0775P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                11452
_reflns_number_total             14695
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202540j.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/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_cell_volume        2101.8(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C44 H57 Co3 Mo8 N12 O48.50 P V8'
_cod_database_code               7114006
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.76968(3) 0.44323(2) 0.56282(3) 0.02294(7) Uani 1 1 d .
Mo2 Mo 0.46691(3) 0.22368(2) 0.43243(3) 0.02520(7) Uani 1 1 d .
Mo3 Mo 0.26367(3) 0.42815(2) 0.21477(2) 0.02395(7) Uani 1 1 d .
Mo4 Mo 0.56763(3) 0.64645(3) 0.34531(3) 0.02631(7) Uani 1 1 d .
V1 V 0.28558(5) 0.22160(5) 0.21609(5) 0.02476(12) Uani 1 1 d .
V2 V 0.53732(5) 0.36735(4) 0.27333(4) 0.01884(10) Uani 1 1 d .
V3 V 0.77294(5) 0.57093(5) 0.42535(5) 0.02225(11) Uani 1 1 d .
V4 V 0.81151(5) 0.72359(4) 0.63286(5) 0.02141(11) Uani 1 1 d .
Co1 Co 0.0000 0.0000 0.0000 0.02599(14) Uani 1 2 d S
Co2 Co 1.02941(5) 0.36247(4) 0.68605(4) 0.02575(10) Uani 1 1 d .
P1 P 0.5000 0.5000 0.5000 0.01765(19) Uani 1 2 d S
C1 C 1.1443(6) 0.6068(4) 0.8312(5) 0.0595(14) Uani 1 1 d .
H1A H 1.0738 0.6048 0.7740 0.071 Uiso 1 1 calc R
C2 C 1.2369(7) 0.7061(5) 0.9210(6) 0.0734(19) Uani 1 1 d .
H2A H 1.2291 0.7702 0.9257 0.088 Uiso 1 1 calc R
C3 C 1.3407(6) 0.7048(6) 1.0026(5) 0.079(2) Uani 1 1 d .
H3A H 1.4064 0.7699 1.0622 0.095 Uiso 1 1 calc R
C4 C 1.3489(5) 0.6077(5) 0.9974(5) 0.0607(15) Uani 1 1 d .
H4A H 1.4174 0.6071 1.0541 0.073 Uiso 1 1 calc R
C5 C 1.2555(4) 0.5155(4) 0.9086(3) 0.0447(11) Uani 1 1 d .
C6 C 1.2588(4) 0.4107(4) 0.8937(4) 0.0448(10) Uani 1 1 d .
C7 C 1.3458(5) 0.3941(6) 0.9759(5) 0.0651(16) Uani 1 1 d .
H7A H 1.4051 0.4506 1.0464 0.078 Uiso 1 1 calc R
C8 C 1.3430(6) 0.2922(6) 0.9515(5) 0.0705(18) Uani 1 1 d .
H8A H 1.4025 0.2811 1.0058 0.085 Uiso 1 1 calc R
C9 C 1.2531(6) 0.2058(6) 0.8474(5) 0.0646(16) Uani 1 1 d .
H9A H 1.2507 0.1371 0.8301 0.078 Uiso 1 1 calc R
C10 C 1.1672(5) 0.2287(5) 0.7707(5) 0.0521(12) Uani 1 1 d .
H10A H 1.1058 0.1726 0.7005 0.063 Uiso 1 1 calc R
C11 C 0.9347(6) 0.1519(4) 0.4883(4) 0.0537(13) Uani 1 1 d .
H11A H 1.0012 0.1909 0.4827 0.064 Uiso 1 1 calc R
C12 C 0.8585(8) 0.0413(5) 0.4169(6) 0.090(2) Uani 1 1 d .
H12A H 0.8740 0.0068 0.3637 0.108 Uiso 1 1 calc R
C13 C 0.7626(9) -0.0145(5) 0.4259(8) 0.109(3) Uani 1 1 d .
H13A H 0.7104 -0.0877 0.3782 0.130 Uiso 1 1 calc R
C14 C 0.7433(7) 0.0367(5) 0.5047(7) 0.087(2) Uani 1 1 d .
H14A H 0.6790 -0.0019 0.5129 0.104 Uiso 1 1 calc R
C15 C 0.8167(4) 0.1442(3) 0.5722(4) 0.0457(11) Uani 1 1 d .
C16 C 0.8018(4) 0.2067(4) 0.6607(4) 0.0409(10) Uani 1 1 d .
C17 C 0.6961(5) 0.1689(5) 0.6690(5) 0.0567(14) Uani 1 1 d .
H17A H 0.6297 0.1006 0.6175 0.068 Uiso 1 1 calc R
C18 C 0.6898(6) 0.2326(6) 0.7538(6) 0.0658(18) Uani 1 1 d .
H18A H 0.6193 0.2082 0.7603 0.079 Uiso 1 1 calc R
C19 C 0.7884(6) 0.3319(5) 0.8278(6) 0.0595(16) Uani 1 1 d .
H19A H 0.7862 0.3767 0.8856 0.071 Uiso 1 1 calc R
C20 C 0.8921(5) 0.3656(4) 0.8162(4) 0.0461(11) Uani 1 1 d .
H20A H 0.9606 0.4327 0.8683 0.055 Uiso 1 1 calc R
C21 C -0.1000(6) 0.1453(5) -0.0736(5) 0.0650(16) Uani 1 1 d .
H21A H -0.1868 0.0920 -0.1297 0.078 Uiso 1 1 calc R
H21B H -0.0985 0.2167 -0.0554 0.078 Uiso 1 1 calc R
C22 C -0.0204(7) 0.1389(5) -0.1169(6) 0.078(2) Uani 1 1 d .
H22A H 0.0636 0.1987 -0.0650 0.093 Uiso 1 1 calc R
H22B H -0.0546 0.1456 -0.1866 0.093 Uiso 1 1 calc R
N1 N 1.1536(3) 0.5149(3) 0.8250(3) 0.0423(8) Uani 1 1 d .
N2 N 1.1677(3) 0.3267(3) 0.7922(3) 0.0395(8) Uani 1 1 d .
N3 N 0.9125(4) 0.2007(3) 0.5635(3) 0.0385(8) Uani 1 1 d .
N4 N 0.8972(3) 0.3055(3) 0.7332(3) 0.0357(7) Uani 1 1 d .
N5 N -0.0580(4) 0.1258(3) 0.0253(3) 0.0442(9) Uani 1 1 d .
H5A H -0.1218 0.1063 0.0380 0.053 Uiso 1 1 calc R
H5B H 0.0074 0.1866 0.0849 0.053 Uiso 1 1 calc R
N6 N -0.0096(4) 0.0324(3) -0.1366(3) 0.0494(10) Uani 1 1 d .
H6A H 0.0608 0.0384 -0.1388 0.059 Uiso 1 1 calc R
H6B H -0.0778 -0.0210 -0.2013 0.059 Uiso 1 1 calc R
O1 O 0.5569(3) 0.3076(2) 0.1768(2) 0.0361(6) Uani 1 1 d .
O2 O 0.4588(2) 0.2445(2) 0.3010(2) 0.0362(6) Uani 1 1 d .
O3 O 0.1909(3) 0.3003(2) 0.2392(2) 0.0330(6) Uani 1 1 d .
O4 O 0.8980(3) 0.4172(2) 0.5958(3) 0.0377(7) Uani 1 1 d .
O5 O 0.7398(3) 0.6928(3) 0.4730(2) 0.0412(7) Uani 1 1 d .
O6 O 0.5952(3) 0.7136(2) 0.2734(3) 0.0402(7) Uani 1 1 d .
O7 O 0.8374(3) 0.5935(2) 0.5787(2) 0.0380(7) Uani 1 1 d .
O8 O 0.8849(2) 0.6006(2) 0.3962(2) 0.0337(6) Uani 1 1 d .
O9 O 0.7074(3) 0.4232(2) 0.4078(2) 0.0382(7) Uani 1 1 d .
O10 O 0.4552(3) 0.0977(2) 0.4037(3) 0.0454(8) Uani 1 1 d .
O11 O 0.3585(3) 0.3450(2) 0.1937(3) 0.0408(7) Uani 1 1 d .
O12 O 0.1949(3) 0.1091(2) 0.0992(2) 0.0367(6) Uani 1 1 d .
O13 O 0.2890(3) 0.2006(3) 0.3438(3) 0.0431(7) Uani 1 1 d .
O14 O 0.6066(3) 0.5222(2) 0.2998(3) 0.0399(7) Uani 1 1 d .
O15 O 0.1530(3) 0.3981(3) 0.0861(2) 0.0467(8) Uani 1 1 d .
O16 O 0.9500(3) 0.8207(2) 0.6922(3) 0.0384(6) Uani 1 1 d .
O17 O 0.6433(3) 0.3078(3) 0.5131(3) 0.0708(13) Uani 1 1 d .
O18 O 0.3943(3) 0.5536(2) 0.2479(4) 0.0749(15) Uani 1 1 d .
O19 O 0.4248(4) 0.3851(4) 0.4884(4) 0.0220(9) Uani 0.50 1 d P
O20 O 0.4754(4) 0.4869(4) 0.3828(4) 0.0207(8) Uani 0.50 1 d P
O21 O 0.5416(4) 0.7418(4) 0.4392(3) 0.0794(15) Uani 1 1 d .
O22 O 0.3598(4) 0.4610(4) 0.4195(4) 0.0213(8) Uani 0.50 1 d P
O23 O 0.5504(4) 0.4233(4) 0.4607(4) 0.0224(9) Uani 0.50 1 d P
O24 O 0.2106(5) 0.5044(3) 0.2972(3) 0.0712(14) Uani 1 1 d .
O1W O 1.1275(9) 0.6819(9) 0.6396(7) 0.080(3) Uani 0.50 1 d P
O2W O 1.2209(12) 0.9408(12) 0.8346(14) 0.160(7) Uani 0.50 1 d P
O3W O 1.3427(13) 1.0119(10) 1.0367(14) 0.151(7) Uani 0.50 1 d P
O4W O 1.4839(15) 0.9858(9) 1.2076(13) 0.144(6) Uani 0.50 1 d P
O5W O 1.3297(19) 0.8390(18) 0.767(2) 0.113(9) Uani 0.25 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'
O O 0.0106 0.0060 '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'
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'
Mo Mo -1.6832 0.6857 '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'
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
O4 Mo1 O17 101.37(18) . .
O4 Mo1 O24 99.60(19) . 2_666
O17 Mo1 O24 94.00(18) . 2_666
O4 Mo1 O9 102.76(15) . .
O17 Mo1 O9 90.22(14) . .
O24 Mo1 O9 155.94(16) 2_666 .
O4 Mo1 O7 102.09(14) . .
O17 Mo1 O7 155.22(16) . .
O24 Mo1 O7 89.87(13) 2_666 .
O9 Mo1 O7 76.92(12) . .
O4 Mo1 O22 158.99(16) . 2_666
O17 Mo1 O22 93.90(19) . 2_666
O24 Mo1 O22 64.69(18) 2_666 2_666
O9 Mo1 O22 91.41(14) . 2_666
O7 Mo1 O22 65.78(14) . 2_666
O4 Mo1 O23 160.85(16) . .
O17 Mo1 O23 65.03(18) . .
O24 Mo1 O23 95.0(2) 2_666 .
O9 Mo1 O23 65.52(15) . .
O7 Mo1 O23 90.26(15) . .
O22 Mo1 O23 40.16(15) 2_666 .
O4 Mo1 V3 106.35(9) . .
O17 Mo1 V3 125.40(10) . .
O24 Mo1 V3 125.42(10) 2_666 .
O9 Mo1 V3 38.44(8) . .
O7 Mo1 V3 38.49(8) . .
O22 Mo1 V3 75.38(11) 2_666 .
O23 Mo1 V3 74.45(11) . .
O10 Mo2 O21 102.00(19) . 2_666
O10 Mo2 O17 102.16(19) . .
O21 Mo2 O17 92.72(19) 2_666 .
O10 Mo2 O13 103.65(16) . .
O21 Mo2 O13 89.95(14) 2_666 .
O17 Mo2 O13 152.89(16) . .
O10 Mo2 O2 103.06(15) . .
O21 Mo2 O2 153.92(16) 2_666 .
O17 Mo2 O2 88.96(13) . .
O13 Mo2 O2 77.27(12) . .
O10 Mo2 O19 159.88(16) . .
O21 Mo2 O19 63.57(17) 2_666 .
O17 Mo2 O19 92.88(19) . .
O13 Mo2 O19 64.37(15) . .
O2 Mo2 O19 90.36(14) . .
O10 Mo2 V1 107.16(13) . .
O21 Mo2 V1 125.39(10) 2_666 .
O17 Mo2 V1 123.63(10) . .
O13 Mo2 V1 39.00(9) . .
O2 Mo2 V1 38.27(8) . .
O19 Mo2 V1 74.33(12) . .
O15 Mo3 O18 102.0(2) . .
O15 Mo3 O24 100.53(19) . .
O18 Mo3 O24 93.23(18) . .
O15 Mo3 O11 104.39(16) . .
O18 Mo3 O11 89.95(12) . .
O24 Mo3 O11 153.63(17) . .
O15 Mo3 O3 103.16(16) . .
O18 Mo3 O3 153.95(17) . .
O24 Mo3 O3 88.83(12) . .
O11 Mo3 O3 77.30(11) . .
O15 Mo3 O20 161.15(16) . .
O18 Mo3 O20 64.24(18) . .
O24 Mo3 O20 93.33(19) . .
O11 Mo3 O20 64.67(15) . .
O3 Mo3 O20 89.73(14) . .
O15 Mo3 V1 107.40(12) . .
O18 Mo3 V1 125.10(9) . .
O24 Mo3 V1 124.41(9) . .
O11 Mo3 V1 38.49(8) . .
O3 Mo3 V1 38.82(7) . .
O20 Mo3 V1 74.20(11) . .
O6 Mo4 O21 101.58(19) . .
O6 Mo4 O18 101.23(19) . .
O21 Mo4 O18 93.95(19) . .
O6 Mo4 O5 103.74(15) . .
O21 Mo4 O5 89.19(14) . .
O18 Mo4 O5 153.65(16) . .
O6 Mo4 O14 103.46(14) . .
O21 Mo4 O14 153.64(17) . .
O18 Mo4 O14 89.15(13) . .
O5 Mo4 O14 77.04(12) . .
O6 Mo4 V3 107.49(10) . .
O21 Mo4 V3 124.30(11) . .
O18 Mo4 V3 124.28(9) . .
O5 Mo4 V3 38.51(8) . .
O14 Mo4 V3 38.53(9) . .
O12 V1 O2 114.41(15) . .
O12 V1 O11 112.38(16) . .
O2 V1 O11 84.22(12) . .
O12 V1 O3 111.65(14) . .
O2 V1 O3 133.91(14) . .
O11 V1 O3 79.90(11) . .
O12 V1 O13 112.99(15) . .
O2 V1 O13 79.43(12) . .
O11 V1 O13 134.58(16) . .
O3 V1 O13 81.70(12) . .
O12 V1 V2 120.46(12) . .
O2 V1 V2 42.29(8) . .
O11 V1 V2 42.00(9) . .
O3 V1 V2 111.71(9) . .
O13 V1 V2 111.89(11) . .
O12 V1 V4 119.10(11) . 2_666
O2 V1 V4 110.19(9) . 2_666
O11 V1 V4 111.32(10) . 2_666
O3 V1 V4 41.19(8) . 2_666
O13 V1 V4 40.53(9) . 2_666
V2 V1 V4 120.44(4) . 2_666
O12 V1 Mo3 118.90(11) . .
O2 V1 Mo3 112.76(10) . .
O11 V1 Mo3 39.56(8) . .
O3 V1 Mo3 40.35(8) . .
O13 V1 Mo3 111.86(10) . .
V2 V1 Mo3 75.73(3) . .
V4 V1 Mo3 75.83(3) 2_666 .
O12 V1 Mo2 121.46(11) . .
O2 V1 Mo2 39.66(8) . .
O11 V1 Mo2 112.99(11) . .
O3 V1 Mo2 110.98(9) . .
O13 V1 Mo2 39.77(9) . .
V2 V1 Mo2 76.17(4) . .
V4 V1 Mo2 74.42(3) 2_666 .
Mo3 V1 Mo2 119.61(5) . .
O1 V2 O11 104.23(15) . .
O1 V2 O9 101.58(15) . .
O11 V2 O9 154.19(14) . .
O1 V2 O2 101.61(14) . .
O11 V2 O2 81.06(12) . .
O9 V2 O2 93.79(12) . .
O1 V2 O14 103.73(15) . .
O11 V2 O14 93.32(12) . .
O9 V2 O14 80.52(12) . .
O2 V2 O14 154.65(13) . .
O1 V2 V1 105.31(12) . .
O11 V2 V1 40.57(8) . .
O9 V2 V1 130.44(9) . .
O2 V2 V1 40.55(8) . .
O14 V2 V1 130.21(9) . .
O1 V2 V3 104.98(11) . .
O11 V2 V3 129.63(9) . .
O9 V2 V3 40.51(8) . .
O2 V2 V3 130.55(9) . .
O14 V2 V3 40.08(9) . .
V1 V2 V3 149.71(3) . .
O8 V3 O5 112.16(15) . .
O8 V3 O14 112.88(15) . .
O5 V3 O14 80.30(13) . .
O8 V3 O7 113.11(15) . .
O5 V3 O7 82.44(13) . .
O14 V3 O7 134.02(15) . .
O8 V3 O9 113.37(14) . .
O5 V3 O9 134.45(15) . .
O14 V3 O9 83.67(13) . .
O7 V3 O9 78.81(12) . .
O8 V3 V2 120.00(11) . .
O5 V3 V2 112.27(10) . .
O14 V3 V2 41.97(9) . .
O7 V3 V2 110.84(10) . .
O9 V3 V2 41.76(9) . .
O8 V3 V4 119.24(11) . .
O5 V3 V4 41.25(9) . .
O14 V3 V4 111.57(10) . .
O7 V3 V4 41.23(8) . .
O9 V3 V4 110.72(10) . .
V2 V3 V4 120.76(4) . .
O8 V3 Mo4 120.06(10) . .
O5 V3 Mo4 40.12(9) . .
O14 V3 Mo4 40.18(8) . .
O7 V3 Mo4 111.60(10) . .
O9 V3 Mo4 112.72(10) . .
V2 V3 Mo4 76.23(4) . .
V4 V3 Mo4 75.42(4) . .
O8 V3 Mo1 121.12(10) . .
O5 V3 Mo1 111.40(10) . .
O14 V3 Mo1 111.82(10) . .
O7 V3 Mo1 39.55(8) . .
O9 V3 Mo1 39.26(8) . .
V2 V3 Mo1 75.06(4) . .
V4 V3 Mo1 75.02(3) . .
Mo4 V3 Mo1 118.81(3) . .
O16 V4 O13 102.98(15) . 2_666
O16 V4 O7 102.66(15) . .
O13 V4 O7 154.35(14) 2_666 .
O16 V4 O5 102.87(16) . .
O13 V4 O5 95.56(12) 2_666 .
O7 V4 O5 79.49(12) . .
O16 V4 O3 102.45(15) . 2_666
O13 V4 O3 79.65(12) 2_666 2_666
O7 V4 O3 94.06(11) . 2_666
O5 V4 O3 154.66(14) . 2_666
O16 V4 V3 105.25(12) . .
O13 V4 V3 131.10(10) 2_666 .
O7 V4 V3 39.99(8) . .
O5 V4 V3 39.54(8) . .
O3 V4 V3 130.28(8) 2_666 .
O16 V4 V1 105.65(11) . 2_666
O13 V4 V1 40.02(9) 2_666 2_666
O7 V4 V1 129.65(9) . 2_666
O5 V4 V1 131.36(9) . 2_666
O3 V4 V1 39.65(8) 2_666 2_666
V3 V4 V1 149.08(3) . 2_666
O12 Co1 O12 180.0(2) . 2
O12 Co1 N5 93.02(13) . .
O12 Co1 N5 86.98(13) 2 .
O12 Co1 N5 86.98(13) . 2
O12 Co1 N5 93.02(13) 2 2
N5 Co1 N5 180.0(3) . 2
O12 Co1 N6 90.35(15) . 2
O12 Co1 N6 89.65(15) 2 2
N5 Co1 N6 97.98(17) . 2
N5 Co1 N6 82.02(17) 2 2
O12 Co1 N6 89.65(15) . .
O12 Co1 N6 90.35(15) 2 .
N5 Co1 N6 82.02(17) . .
N5 Co1 N6 97.98(17) 2 .
N6 Co1 N6 180.00(19) 2 .
O8 Co2 N2 96.37(13) 2_766 .
O8 Co2 N3 92.80(13) 2_766 .
N2 Co2 N3 95.03(16) . .
O8 Co2 N1 92.15(14) 2_766 .
N2 Co2 N1 78.06(16) . .
N3 Co2 N1 171.91(15) . .
O8 Co2 N4 165.69(14) 2_766 .
N2 Co2 N4 94.89(14) . .
N3 Co2 N4 77.42(15) . .
N1 Co2 N4 98.80(15) . .
O8 Co2 O4 85.64(11) 2_766 .
N2 Co2 O4 172.87(14) . .
N3 Co2 O4 91.70(15) . .
N1 Co2 O4 95.05(15) . .
N4 Co2 O4 84.25(12) . .
O22 P1 O22 180.0(3) 2_666 .
O22 P1 O23 112.0(3) 2_666 2_666
O22 P1 O23 68.0(3) . 2_666
O22 P1 O23 68.0(2) 2_666 .
O22 P1 O23 112.0(3) . .
O23 P1 O23 180.000(2) 2_666 .
O22 P1 O20 69.9(2) 2_666 2_666
O22 P1 O20 110.1(2) . 2_666
O23 P1 O20 70.5(2) 2_666 2_666
O23 P1 O20 109.5(2) . 2_666
O22 P1 O20 110.1(2) 2_666 .
O22 P1 O20 69.9(2) . .
O23 P1 O20 109.5(2) 2_666 .
O23 P1 O20 70.5(2) . .
O20 P1 O20 180.000(1) 2_666 .
O22 P1 O19 108.7(2) 2_666 .
O22 P1 O19 71.3(2) . .
O23 P1 O19 108.9(2) 2_666 .
O23 P1 O19 71.1(2) . .
O20 P1 O19 72.5(2) 2_666 .
O20 P1 O19 107.5(2) . .
O22 P1 O19 71.3(2) 2_666 2_666
O22 P1 O19 108.7(2) . 2_666
O23 P1 O19 71.1(2) 2_666 2_666
O23 P1 O19 108.9(2) . 2_666
O20 P1 O19 107.5(2) 2_666 2_666
O20 P1 O19 72.5(2) . 2_666
O19 P1 O19 180.0(4) . 2_666
N1 C1 C2 121.9(6) . .
C3 C2 C1 116.8(6) . .
C2 C3 C4 121.2(6) . .
C5 C4 C3 118.3(6) . .
C4 C5 N1 121.6(5) . .
C4 C5 C6 122.1(5) . .
N1 C5 C6 116.3(4) . .
N2 C6 C7 120.7(5) . .
N2 C6 C5 115.5(4) . .
C7 C6 C5 123.8(5) . .
C8 C7 C6 119.0(6) . .
C7 C8 C9 121.4(5) . .
C10 C9 C8 115.9(6) . .
N2 C10 C9 123.9(6) . .
N3 C11 C12 120.2(5) . .
C13 C12 C11 119.5(6) . .
C12 C13 C14 119.2(6) . .
C13 C14 C15 120.6(6) . .
N3 C15 C14 120.5(5) . .
N3 C15 C16 115.3(4) . .
C14 C15 C16 124.1(5) . .
N4 C16 C17 120.7(5) . .
N4 C16 C15 115.7(3) . .
C17 C16 C15 123.5(5) . .
C18 C17 C16 119.7(5) . .
C19 C18 C17 118.8(5) . .
C18 C19 C20 119.2(5) . .
N4 C20 C19 122.1(5) . .
C22 C21 N5 110.7(5) . .
C21 C22 N6 111.5(5) . .
C1 N1 C5 120.1(5) . .
C1 N1 Co2 125.1(4) . .
C5 N1 Co2 114.5(3) . .
C10 N2 C6 119.0(4) . .
C10 N2 Co2 125.6(3) . .
C6 N2 Co2 115.2(3) . .
C11 N3 C15 119.9(4) . .
C11 N3 Co2 124.2(3) . .
C15 N3 Co2 115.6(3) . .
C20 N4 C16 119.4(4) . .
C20 N4 Co2 124.9(3) . .
C16 N4 Co2 114.8(3) . .
C21 N5 Co1 108.4(3) . .
C22 N6 Co1 105.5(3) . .
V1 O2 Mo2 102.07(12) . .
V1 O2 V2 97.16(13) . .
Mo2 O2 V2 136.11(16) . .
V1 O3 V4 99.16(12) . 2_666
V1 O3 Mo3 100.83(12) . .
V4 O3 Mo3 135.85(15) 2_666 .
Mo1 O4 Co2 152.53(16) . .
V3 O5 Mo4 101.37(14) . .
V3 O5 V4 99.21(14) . .
Mo4 O5 V4 134.80(17) . .
V3 O7 Mo1 101.96(13) . .
V3 O7 V4 98.78(13) . .
Mo1 O7 V4 135.11(17) . .
V3 O8 Co2 159.03(18) . 2_766
V3 O9 Mo1 102.30(13) . .
V3 O9 V2 97.73(13) . .
Mo1 O9 V2 134.89(17) . .
V1 O11 Mo3 101.96(13) . .
V1 O11 V2 97.42(13) . .
Mo3 O11 V2 135.74(18) . .
V1 O12 Co1 135.91(17) . .
V1 O13 V4 99.45(14) . 2_666
V1 O13 Mo2 101.23(13) . .
V4 O13 Mo2 134.65(18) 2_666 .
V3 O14 Mo4 101.29(14) . .
V3 O14 V2 97.96(14) . .
Mo4 O14 V2 135.72(16) . .
Mo1 O17 Mo2 143.9(3) . .
Mo3 O18 Mo4 143.9(3) . .
P1 O19 O23 52.98(19) . .
P1 O19 O22 52.79(19) . .
O23 O19 O22 88.6(3) . .
P1 O19 Mo2 124.8(2) . .
O23 O19 Mo2 71.8(2) . .
O22 O19 Mo2 135.5(3) . .
P1 O20 O22 54.0(2) . .
P1 O20 O23 53.8(2) . .
O22 O20 O23 90.7(3) . .
P1 O20 Mo3 125.5(2) . .
O22 O20 Mo3 71.6(2) . .
O23 O20 Mo3 135.8(3) . .
Mo4 O21 Mo2 144.5(3) . 2_666
P1 O22 O23 56.1(2) . 2_666
P1 O22 O20 56.2(2) . .
O23 O22 O20 93.2(3) 2_666 .
P1 O22 O19 55.9(2) . .
O23 O22 O19 92.0(3) 2_666 .
O20 O22 O19 90.4(3) . .
P1 O22 Mo1 126.0(2) . 2_666
O23 O22 Mo1 69.9(2) 2_666 2_666
O20 O22 Mo1 131.2(3) . 2_666
O19 O22 Mo1 133.9(3) . 2_666
P1 O23 O22 55.9(2) . 2_666
P1 O23 O20 55.7(2) . .
O22 O23 O20 92.9(3) 2_666 .
P1 O23 O19 55.9(2) . .
O22 O23 O19 91.7(3) 2_666 .
O20 O23 O19 89.9(3) . .
P1 O23 Mo1 125.7(3) . .
O22 O23 Mo1 69.9(2) 2_666 .
O20 O23 Mo1 135.5(3) . .
O19 O23 Mo1 129.8(3) . .
Mo1 O24 Mo3 143.4(3) 2_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O4 1.689(3) .
Mo1 O17 1.853(3) .
Mo1 O24 1.860(3) 2_666
Mo1 O9 1.969(3) .
Mo1 O7 1.979(3) .
Mo1 O22 2.468(4) 2_666
Mo1 O23 2.468(5) .
Mo1 V3 3.0397(10) .
Mo2 O10 1.674(3) .
Mo2 O21 1.866(3) 2_666
Mo2 O17 1.873(4) .
Mo2 O13 1.980(3) .
Mo2 O2 1.981(3) .
Mo2 O19 2.505(4) .
Mo2 V1 3.0355(14) .
Mo3 O15 1.663(3) .
Mo3 O18 1.858(3) .
Mo3 O24 1.867(3) .
Mo3 O11 1.969(3) .
Mo3 O3 1.994(3) .
Mo3 O20 2.502(5) .
Mo3 V1 3.0251(9) .
Mo4 O6 1.666(3) .
Mo4 O21 1.865(3) .
Mo4 O18 1.870(4) .
Mo4 O5 1.985(3) .
Mo4 O14 1.987(3) .
Mo4 V3 3.0197(11) .
V1 O12 1.650(3) .
V1 O2 1.923(3) .
V1 O11 1.924(3) .
V1 O3 1.931(3) .
V1 O13 1.948(3) .
V1 V2 2.9339(16) .
V1 V4 2.9874(11) 2_666
V2 O1 1.597(3) .
V2 O11 1.980(3) .
V2 O9 1.983(3) .
V2 O2 1.990(3) .
V2 O14 1.992(3) .
V2 V3 2.951(2) .
V3 O8 1.640(2) .
V3 O5 1.918(3) .
V3 O14 1.918(3) .
V3 O7 1.934(3) .
V3 O9 1.934(3) .
V3 V4 2.9737(15) .
V4 O16 1.602(3) .
V4 O13 1.968(3) 2_666
V4 O7 1.983(3) .
V4 O5 1.986(3) .
V4 O3 1.993(3) 2_666
V4 V1 2.9874(11) 2_666
Co1 O12 2.110(3) .
Co1 O12 2.110(3) 2
Co1 N5 2.119(3) .
Co1 N5 2.119(3) 2
Co1 N6 2.123(4) 2
Co1 N6 2.123(4) .
Co2 O8 2.008(2) 2_766
Co2 N2 2.106(4) .
Co2 N3 2.111(4) .
Co2 N1 2.113(4) .
Co2 N4 2.124(3) .
Co2 O4 2.145(3) .
P1 O22 1.513(4) 2_666
P1 O22 1.513(4) .
P1 O23 1.517(4) 2_666
P1 O23 1.517(4) .
P1 O20 1.554(4) 2_666
P1 O20 1.554(4) .
P1 O19 1.573(4) .
P1 O19 1.573(4) 2_666
C1 N1 1.325(6) .
C1 C2 1.393(8) .
C2 C3 1.381(10) .
C3 C4 1.395(10) .
C4 C5 1.339(7) .
C5 N1 1.366(6) .
C5 C6 1.461(7) .
C6 N2 1.363(6) .
C6 C7 1.388(7) .
C7 C8 1.382(9) .
C8 C9 1.393(9) .
C9 C10 1.392(7) .
C10 N2 1.342(6) .
C11 N3 1.317(6) .
C11 C12 1.401(7) .
C12 C13 1.345(10) .
C13 C14 1.345(10) .
C14 C15 1.356(7) .
C15 N3 1.345(5) .
C15 C16 1.480(7) .
C16 N4 1.339(6) .
C16 C17 1.383(6) .
C17 C18 1.377(9) .
C18 C19 1.359(9) .
C19 C20 1.382(6) .
C20 N4 1.324(6) .
C21 C22 1.416(9) .
C21 N5 1.449(7) .
C22 N6 1.519(7) .
O3 V4 1.993(3) 2_666
O8 Co2 2.008(2) 2_766
O13 V4 1.968(3) 2_666
O19 O23 1.798(6) .
O19 O22 1.799(6) .
O20 O22 1.756(6) .
O20 O23 1.773(6) .
O21 Mo2 1.866(3) 2_666
O22 O23 1.694(7) 2_666
O22 Mo1 2.468(4) 2_666
O23 O22 1.694(7) 2_666
O24 Mo1 1.860(3) 2_666
