#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:42:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180092 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/38/7053888.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_7053888
loop_
_publ_author_name
'Yu, Yan'
'Ma, Huiyuan'
'Pang, Haijun'
'Li, Shaobin'
'Yu, Tingting'
'Liu, Heng'
'Zhao, Chunyan'
'Zhang, Zhuanfang'
_publ_section_title
;
 Two novel zipper-like compounds of the usual and bivanadyl capped Keggin
 clusters connected by propeller-shaped complexes
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1271
_journal_paper_doi               10.1039/c3nj01329d
_journal_volume                  38
_journal_year                    2014
_chemical_formula_moiety         'C48 H45 Co Mo8 N20 O42 P V6'
_chemical_formula_sum            'C48 H45 Co Mo8 N20 O42 P V6'
_chemical_formula_weight         2737.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 132.357(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   32.193(5)
_cell_length_b                   15.456(5)
_cell_length_c                   22.188(5)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.33
_cell_volume                     8158(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SMART'
_computing_publication_material  'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_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_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0140
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21981
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    2.155
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5280.0
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.556
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         7984
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0944P)²+125.4026P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1551
_refine_ls_wR_factor_ref         0.1604
_reflns_number_gt                6742
_reflns_number_total             8018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3nj01329d.txt
_cod_data_source_block           y
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7053888
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.54356(2) -0.54279(3) 0.18356(3) 0.02404(15) Uani 1 1 d .
Mo2 Mo 0.45676(2) -0.23317(3) 0.31786(3) 0.02651(16) Uani 1 1 d .
Mo3 Mo 0.60187(2) -0.23193(3) 0.39692(3) 0.02440(15) Uani 1 1 d .
Mo4 Mo 0.60221(2) -0.54341(3) 0.39684(3) 0.02651(16) Uani 1 1 d .
V3 V 0.55696(4) -0.38854(5) 0.45601(5) 0.0134(2) Uani 1 1 d .
V2 V 0.5000 -0.12896(9) 0.2500 0.0212(3) Uani 1 2 d S
Co1 Co 0.5000 0.11230(6) 0.2500 0.0202(2) Uani 1 2 d S
V4 V 0.63950(4) -0.38678(5) 0.32632(5) 0.0135(2) Uani 1 1 d .
V1 V 0.5000 -0.64586(9) 0.2500 0.0223(3) Uani 1 2 d S
P1 P 0.5000 -0.38762(11) 0.2500 0.0139(4) Uani 1 2 d S
O1 O 0.6451(2) -0.1514(3) 0.4590(3) 0.0459(13) Uani 1 1 d .
O2 O 0.4380(2) -0.1535(3) 0.3460(3) 0.0362(11) Uani 1 1 d .
O3 O 0.70208(19) -0.3868(3) 0.3613(3) 0.0385(12) Uani 1 1 d .
O4 O 0.5688(2) -0.5949(4) 0.2885(3) 0.0405(13) Uani 1 1 d .
O5 O 0.52754(19) -0.1796(4) 0.3507(3) 0.0406(13) Uani 1 1 d .
O6 O 0.4807(3) -0.4451(4) 0.1780(4) 0.0141(14) Uani 0.50 1 d P
O7 O 0.3946(3) -0.3003(4) 0.2565(3) 0.071(2) Uani 1 1 d .
O8 O 0.4992(2) -0.3025(4) 0.4051(4) 0.0632(17) Uani 1 1 d U
O9 O 0.6472(3) -0.2982(4) 0.3949(3) 0.0613(17) Uani 1 1 d U
O10 O 0.6457(3) -0.4728(4) 0.3942(3) 0.0626(17) Uani 1 1 d U
O11 O 0.52742(19) -0.5958(4) 0.3509(3) 0.0420(13) Uani 1 1 d .
O12 O 0.6021(2) -0.3008(5) 0.4619(5) 0.073(2) Uani 1 1 d .
O13 O 0.6047(3) -0.4742(4) 0.2436(3) 0.0589(16) Uani 1 1 d U
O14 O 0.4311(2) -0.1791(4) 0.2121(3) 0.0404(13) Uani 1 1 d .
O15 O 0.5839(2) -0.3897(4) 0.5483(3) 0.0423(13) Uani 1 1 d .
O16 O 0.5623(3) -0.6239(3) 0.1573(4) 0.0456(14) Uani 1 1 d .
O17 O 0.5493(3) -0.3312(4) 0.2776(4) 0.0118(13) Uani 0.50 1 d P
O18 O 0.6467(2) -0.6215(3) 0.4604(3) 0.0386(12) Uani 1 1 d .
O19 O 0.5205(3) -0.3302(5) 0.3227(4) 0.0164(14) Uani 0.50 1 d P
O20 O 0.4512(3) -0.4441(5) 0.2244(4) 0.0157(14) Uani 0.50 1 d P
O21 O 0.5000 -0.7522(4) 0.2500 0.0271(13) Uani 1 2 d S
O22 O 0.5015(2) -0.4748(4) 0.0931(4) 0.064(2) Uani 1 1 d .
O23 O 0.6015(2) -0.4754(5) 0.4622(4) 0.0698(19) Uani 1 1 d U
O24 O 0.5000 -0.0225(4) 0.2500 0.0286(13) Uani 1 2 d S
N6 N 0.6675(4) 0.1670(5) 0.4738(5) 0.105(5) Uani 1 1 d .
N8 N 0.4291(6) 0.0629(5) 0.3556(9) 0.115(5) Uani 1 1 d .
N1 N 0.4678(3) 0.1113(3) 0.3088(4) 0.0347(13) Uani 1 1 d .
N2 N 0.1598(3) 0.1569(4) 0.1384(4) 0.0429(14) Uani 1 1 d .
N3 N 0.5845(2) 0.1153(3) 0.3631(4) 0.0333(13) Uani 1 1 d .
N4 N 0.6680(2) 0.0807(4) 0.4755(3) 0.0383(14) Uani 1 1 d .
N5 N 0.0780(3) 0.1077(5) 0.0817(5) 0.0537(18) Uani 1 1 d .
N7 N 0.4265(3) 0.1498(4) 0.3507(4) 0.0443(15) Uani 1 1 d .
N9 N 0.7383(3) 0.1013(4) 0.8208(4) 0.0448(15) Uani 1 1 d .
N10 N 0.7732(4) 0.1133(9) 0.9435(6) 0.106(5) Uani 1 1 d .
C23 C 0.4532(6) 0.0438(6) 0.3275(10) 0.093(5) Uani 1 1 d .
C1 C 0.7330(3) 0.0823(5) 0.7521(5) 0.0431(17) Uani 1 1 d .
C2 C 0.3053(4) 0.1851(6) 0.2257(6) 0.056(2) Uani 1 1 d .
H2A H 0.3241 0.1899 0.2076 0.067 Uiso 1 1 calc R
C3 C 0.2480(4) 0.1770(7) 0.1697(5) 0.055(2) Uani 1 1 d .
H3A H 0.2281 0.1776 0.1141 0.067 Uiso 1 1 calc R
C4 C 0.6169(5) 0.1838(5) 0.4044(6) 0.096(5) Uani 1 1 d .
H4A H 0.6044 0.2399 0.3853 0.116 Uiso 1 1 calc R
C5 C 0.3362(3) 0.1865(5) 0.3097(5) 0.0390(16) Uani 1 1 d .
C6 C 0.7220(6) 0.1465(11) 0.8958(9) 0.096(4) Uani 1 1 d .
H6A H 0.7044 0.1693 0.9124 0.115 Uiso 1 1 calc R
C7 C 0.2203(3) 0.1678(5) 0.1967(5) 0.0408(16) Uani 1 1 d .
C8 C 0.7226(3) 0.0518(5) 0.6196(4) 0.0402(17) Uani 1 1 d .
C9 C 0.0696(4) 0.1706(7) 0.0341(6) 0.064(3) Uani 1 1 d .
H9A H 0.0350 0.1894 -0.0141 0.077 Uiso 1 1 calc R
C10 C 0.2492(3) 0.1703(6) 0.2790(5) 0.0465(18) Uani 1 1 d .
H10A H 0.2300 0.1658 0.2966 0.056 Uiso 1 1 calc R
C11 C 0.1327(4) 0.1005(6) 0.1455(6) 0.051(2) Uani 1 1 d .
H11A H 0.1492 0.0619 0.1885 0.061 Uiso 1 1 calc R
C12 C 0.6997(5) 0.1411(10) 0.8172(7) 0.087(4) Uani 1 1 d .
H12A H 0.6647 0.1612 0.7706 0.104 Uiso 1 1 calc R
C13 C 0.6775(3) 0.0415(6) 0.6141(5) 0.056(2) Uani 1 1 d .
H13A H 0.6430 0.0243 0.5647 0.067 Uiso 1 1 calc R
C14 C 0.7737(3) 0.0776(5) 0.6935(5) 0.0426(17) Uani 1 1 d .
H14A H 0.8047 0.0838 0.6987 0.051 Uiso 1 1 calc R
C15 C 0.7791(3) 0.0943(5) 0.7604(5) 0.0429(17) Uani 1 1 d .
H15A H 0.8131 0.1131 0.8096 0.052 Uiso 1 1 calc R
C16 C 0.7165(3) 0.0350(5) 0.5473(4) 0.0456(19) Uani 1 1 d .
H16A H 0.7502 0.0539 0.5595 0.055 Uiso 1 1 calc R
H16B H 0.7122 -0.0266 0.5362 0.055 Uiso 1 1 calc R
C17 C 0.4503(3) 0.1756(4) 0.3241(4) 0.0348(15) Uani 1 1 d .
C18 C 0.3985(3) 0.1987(5) 0.3715(5) 0.0427(17) Uani 1 1 d .
H18A H 0.4070 0.2597 0.3752 0.051 Uiso 1 1 calc R
H18B H 0.4130 0.1801 0.4244 0.051 Uiso 1 1 calc R
C19 C 0.1209(4) 0.2029(7) 0.0681(5) 0.060(2) Uani 1 1 d .
H19A H 0.1279 0.2472 0.0476 0.072 Uiso 1 1 calc R
C20 C 0.6187(3) 0.0516(4) 0.4102(4) 0.0373(16) Uani 1 1 d .
H20A H 0.6092 -0.0067 0.3987 0.045 Uiso 1 1 calc R
C21 C 0.6820(3) 0.0559(7) 0.6793(5) 0.057(2) Uani 1 1 d .
H21A H 0.6513 0.0480 0.6744 0.068 Uiso 1 1 calc R
C22 C 0.3068(4) 0.1796(5) 0.3344(5) 0.0447(18) Uani 1 1 d .
H22A H 0.3263 0.1813 0.3898 0.054 Uiso 1 1 calc R
C24 C 0.7821(4) 0.0852(10) 0.8960(6) 0.089(4) Uani 1 1 d .
H24A H 0.8147 0.0583 0.9143 0.107 Uiso 1 1 calc 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'
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'
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'
Co Co 0.3494 0.9721 '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'
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
O16 Mo1 O13 103.3(3) . .
O16 Mo1 O22 103.0(3) . .
O13 Mo1 O22 96.1(3) . .
O16 Mo1 O11 98.4(3) . 2_655
O13 Mo1 O11 155.3(3) . 2_655
O22 Mo1 O11 90.4(2) . 2_655
O16 Mo1 O4 98.2(3) . .
O13 Mo1 O4 89.5(2) . .
O22 Mo1 O4 156.1(3) . .
O11 Mo1 O4 75.68(18) 2_655 .
O16 Mo1 O20 157.2(3) . 2_655
O13 Mo1 O20 65.9(3) . 2_655
O22 Mo1 O20 98.2(3) . 2_655
O11 Mo1 O20 89.6(2) 2_655 2_655
O4 Mo1 O20 63.0(2) . 2_655
O16 Mo1 O6 158.2(3) . .
O13 Mo1 O6 97.4(3) . .
O22 Mo1 O6 67.4(3) . .
O11 Mo1 O6 63.2(2) 2_655 .
O4 Mo1 O6 88.9(2) . .
O20 Mo1 O6 41.9(2) 2_655 .
O16 Mo1 V1 99.70(17) . .
O13 Mo1 V1 125.08(16) . .
O22 Mo1 V1 126.05(16) . .
O11 Mo1 V1 37.87(13) 2_655 .
O4 Mo1 V1 37.82(13) . .
O20 Mo1 V1 73.87(17) 2_655 .
O6 Mo1 V1 73.56(16) . .
O2 Mo2 O8 104.0(3) . .
O2 Mo2 O7 102.1(3) . .
O8 Mo2 O7 97.0(3) . .
O2 Mo2 O5 99.6(2) . .
O8 Mo2 O5 90.0(2) . .
O7 Mo2 O5 154.8(3) . .
O2 Mo2 O14 99.1(2) . .
O8 Mo2 O14 154.2(3) . .
O7 Mo2 O14 89.1(2) . .
O5 Mo2 O14 74.82(18) . .
O2 Mo2 O19 157.9(2) . .
O8 Mo2 O19 65.5(3) . .
O7 Mo2 O19 98.6(3) . .
O5 Mo2 O19 62.5(2) . .
O14 Mo2 O19 88.9(2) . .
O2 Mo2 O17 157.4(2) . 2_655
O8 Mo2 O17 96.9(3) . 2_655
O7 Mo2 O17 66.4(3) . 2_655
O5 Mo2 O17 88.8(2) . 2_655
O14 Mo2 O17 62.7(2) . 2_655
O19 Mo2 O17 42.5(2) . 2_655
O2 Mo2 V2 101.14(16) . .
O8 Mo2 V2 124.79(17) . .
O7 Mo2 V2 124.32(16) . .
O5 Mo2 V2 37.37(13) . .
O14 Mo2 V2 37.47(12) . .
O19 Mo2 V2 72.94(17) . .
O17 Mo2 V2 73.05(15) 2_655 .
O1 Mo3 O12 103.2(3) . .
O1 Mo3 O9 101.8(3) . .
O12 Mo3 O9 96.7(3) . .
O1 Mo3 O5 99.3(3) . .
O12 Mo3 O5 90.5(2) . .
O9 Mo3 O5 155.4(3) . .
O1 Mo3 O14 99.1(3) . 2_655
O12 Mo3 O14 155.3(3) . 2_655
O9 Mo3 O14 88.9(2) . 2_655
O5 Mo3 O14 75.44(18) . 2_655
O1 Mo3 O19 158.2(3) . .
O12 Mo3 O19 66.2(3) . .
O9 Mo3 O19 98.4(3) . .
O5 Mo3 O19 63.1(2) . .
O14 Mo3 O19 89.1(2) 2_655 .
O1 Mo3 O17 158.0(3) . .
O12 Mo3 O17 97.0(3) . .
O9 Mo3 O17 66.8(3) . .
O5 Mo3 O17 89.0(2) . .
O14 Mo3 O17 63.2(2) 2_655 .
O19 Mo3 O17 41.7(2) . .
O1 Mo3 V2 100.87(17) . .
O12 Mo3 V2 125.73(16) . .
O9 Mo3 V2 124.55(17) . .
O5 Mo3 V2 37.71(13) . .
O14 Mo3 V2 37.75(13) 2_655 .
O19 Mo3 V2 73.57(17) . .
O17 Mo3 V2 73.56(15) . .
O18 Mo4 O23 102.2(3) . .
O18 Mo4 O10 102.9(3) . .
O23 Mo4 O10 95.9(3) . .
O18 Mo4 O4 100.8(3) . .
O23 Mo4 O4 154.3(3) . .
O10 Mo4 O4 90.2(2) . .
O18 Mo4 O11 100.8(3) . .
O23 Mo4 O11 89.0(2) . .
O10 Mo4 O11 154.2(3) . .
O4 Mo4 O11 75.31(18) . .
O18 Mo4 O6 158.3(3) . 2_655
O23 Mo4 O6 65.9(3) . 2_655
O10 Mo4 O6 96.6(3) . 2_655
O4 Mo4 O6 88.6(2) . 2_655
O11 Mo4 O6 62.4(2) . 2_655
O18 Mo4 O20 157.9(3) . 2_655
O23 Mo4 O20 97.7(3) . 2_655
O10 Mo4 O20 65.3(3) . 2_655
O4 Mo4 O20 62.3(2) . 2_655
O11 Mo4 O20 89.0(2) . 2_655
O6 Mo4 O20 42.4(2) 2_655 2_655
O18 Mo4 V1 102.65(17) . .
O23 Mo4 V1 124.50(18) . .
O10 Mo4 V1 125.10(17) . .
O4 Mo4 V1 37.52(13) . .
O11 Mo4 V1 37.81(13) . .
O6 Mo4 V1 73.01(16) 2_655 .
O20 Mo4 V1 73.11(16) 2_655 .
O15 V3 O23 99.7(3) . .
O15 V3 O8 103.7(3) . .
O23 V3 O8 156.7(3) . .
O15 V3 O12 100.8(3) . .
O23 V3 O12 89.7(3) . .
O8 V3 O12 86.5(2) . .
O15 V3 O22 101.3(3) . 2_655
O23 V3 O22 87.4(2) . 2_655
O8 V3 O22 87.5(3) . 2_655
O12 V3 O22 157.9(3) . 2_655
O24 V2 O5 113.94(18) . 2_655
O24 V2 O5 113.94(18) . .
O5 V2 O5 132.1(4) 2_655 .
O24 V2 O14 113.72(18) . .
O5 V2 O14 80.58(19) 2_655 .
O5 V2 O14 80.6(2) . .
O24 V2 O14 113.72(18) . 2_655
O5 V2 O14 80.6(2) 2_655 2_655
O5 V2 O14 80.58(19) . 2_655
O14 V2 O14 132.6(4) . 2_655
O24 V2 Mo3 121.07(3) . 2_655
O5 V2 Mo3 40.07(14) 2_655 2_655
O5 V2 Mo3 110.27(17) . 2_655
O14 V2 Mo3 40.53(14) . 2_655
O14 V2 Mo3 110.18(17) 2_655 2_655
O24 V2 Mo3 121.07(3) . .
O5 V2 Mo3 110.27(17) 2_655 .
O5 V2 Mo3 40.07(14) . .
O14 V2 Mo3 110.18(17) . .
O14 V2 Mo3 40.53(14) 2_655 .
Mo3 V2 Mo3 117.86(5) 2_655 .
O24 V2 Mo2 121.28(2) . .
O5 V2 Mo2 110.19(17) 2_655 .
O5 V2 Mo2 39.96(14) . .
O14 V2 Mo2 40.69(14) . .
O14 V2 Mo2 109.91(17) 2_655 .
Mo3 V2 Mo2 74.92(3) 2_655 .
Mo3 V2 Mo2 73.99(3) . .
O24 V2 Mo2 121.28(2) . 2_655
O5 V2 Mo2 39.96(14) 2_655 2_655
O5 V2 Mo2 110.19(17) . 2_655
O14 V2 Mo2 109.91(17) . 2_655
O14 V2 Mo2 40.69(14) 2_655 2_655
Mo3 V2 Mo2 73.99(3) 2_655 2_655
Mo3 V2 Mo2 74.92(3) . 2_655
Mo2 V2 Mo2 117.44(5) . 2_655
O24 Co1 O21 180.000(1) . 1_565
O24 Co1 N3 91.24(14) . 2_655
O21 Co1 N3 88.76(14) 1_565 2_655
O24 Co1 N3 91.24(14) . .
O21 Co1 N3 88.76(14) 1_565 .
N3 Co1 N3 177.5(3) 2_655 .
O24 Co1 N1 89.58(14) . .
O21 Co1 N1 90.42(14) 1_565 .
N3 Co1 N1 87.7(3) 2_655 .
N3 Co1 N1 92.3(3) . .
O24 Co1 N1 89.58(14) . 2_655
O21 Co1 N1 90.42(14) 1_565 2_655
N3 Co1 N1 92.3(3) 2_655 2_655
N3 Co1 N1 87.7(3) . 2_655
N1 Co1 N1 179.2(3) . 2_655
O3 V4 O7 100.8(3) . 2_655
O3 V4 O10 100.9(3) . .
O7 V4 O10 158.3(3) 2_655 .
O3 V4 O13 101.4(3) . .
O7 V4 O13 89.2(3) 2_655 .
O10 V4 O13 87.0(2) . .
O3 V4 O9 99.6(3) . .
O7 V4 O9 87.0(2) 2_655 .
O10 V4 O9 89.0(3) . .
O13 V4 O9 159.1(3) . .
O3 V4 O17 159.7(2) . .
O7 V4 O17 65.9(3) 2_655 .
O10 V4 O17 93.1(3) . .
O13 V4 O17 94.0(3) . .
O9 V4 O17 65.7(3) . .
O21 V1 O4 114.17(19) . .
O21 V1 O4 114.17(19) . 2_655
O4 V1 O4 131.7(4) . 2_655
O21 V1 O11 113.6(2) . .
O4 V1 O11 80.2(2) . .
O4 V1 O11 80.9(2) 2_655 .
O21 V1 O11 113.6(2) . 2_655
O4 V1 O11 80.9(2) . 2_655
O4 V1 O11 80.2(2) 2_655 2_655
O11 V1 O11 132.7(4) . 2_655
O21 V1 Mo1 121.19(3) . .
O4 V1 Mo1 40.65(13) . .
O4 V1 Mo1 109.55(17) 2_655 .
O11 V1 Mo1 110.37(18) . .
O11 V1 Mo1 40.24(14) 2_655 .
O21 V1 Mo1 121.19(3) . 2_655
O4 V1 Mo1 109.55(17) . 2_655
O4 V1 Mo1 40.65(13) 2_655 2_655
O11 V1 Mo1 40.24(14) . 2_655
O11 V1 Mo1 110.37(18) 2_655 2_655
Mo1 V1 Mo1 117.62(5) . 2_655
O21 V1 Mo4 120.91(3) . .
O4 V1 Mo4 39.73(14) . .
O4 V1 Mo4 110.39(17) 2_655 .
O11 V1 Mo4 40.52(14) . .
O11 V1 Mo4 110.38(17) 2_655 .
Mo1 V1 Mo4 74.57(3) . .
Mo1 V1 Mo4 74.58(3) 2_655 .
O21 V1 Mo4 120.91(3) . 2_655
O4 V1 Mo4 110.39(17) . 2_655
O4 V1 Mo4 39.73(14) 2_655 2_655
O11 V1 Mo4 110.38(18) . 2_655
O11 V1 Mo4 40.52(14) 2_655 2_655
Mo1 V1 Mo4 74.58(3) . 2_655
Mo1 V1 Mo4 74.57(3) 2_655 2_655
Mo4 V1 Mo4 118.18(5) . 2_655
O17 P1 O17 110.6(5) . 2_655
O17 P1 O20 178.7(3) . .
O17 P1 O20 69.4(4) 2_655 .
O17 P1 O20 69.4(4) . 2_655
O17 P1 O20 178.7(3) 2_655 2_655
O20 P1 O20 110.6(5) . 2_655
O17 P1 O6 109.0(4) . .
O17 P1 O6 109.1(4) 2_655 .
O20 P1 O6 72.1(4) . .
O20 P1 O6 69.8(4) 2_655 .
O17 P1 O6 109.1(4) . 2_655
O17 P1 O6 109.0(4) 2_655 2_655
O20 P1 O6 69.8(4) . 2_655
O20 P1 O6 72.1(4) 2_655 2_655
O6 P1 O6 109.9(5) . 2_655
O17 P1 O19 69.9(4) . .
O17 P1 O19 71.9(4) 2_655 .
O20 P1 O19 108.9(4) . .
O20 P1 O19 109.2(4) 2_655 .
O6 P1 O19 178.8(4) . .
O6 P1 O19 70.1(4) 2_655 .
O17 P1 O19 71.9(4) . 2_655
O17 P1 O19 69.9(4) 2_655 2_655
O20 P1 O19 109.2(4) . 2_655
O20 P1 O19 108.9(4) 2_655 2_655
O6 P1 O19 70.1(4) . 2_655
O6 P1 O19 178.8(4) 2_655 2_655
O19 P1 O19 109.9(5) . 2_655
V1 O4 Mo4 102.7(2) . .
V1 O4 Mo1 101.5(2) . .
Mo4 O4 Mo1 133.2(3) . .
V2 O5 Mo3 102.2(2) . .
V2 O5 Mo2 102.7(2) . .
Mo3 O5 Mo2 132.1(3) . .
P1 O6 O20 54.8(3) . 2_655
P1 O6 O19 55.0(3) . 2_655
O20 O6 O19 90.2(5) 2_655 2_655
P1 O6 O20 53.6(3) . .
O20 O6 O20 89.8(4) 2_655 .
O19 O6 O20 88.8(4) 2_655 .
P1 O6 Mo1 123.8(4) . .
O20 O6 Mo1 69.1(3) 2_655 .
O19 O6 Mo1 128.8(4) 2_655 .
O20 O6 Mo1 134.9(4) . .
P1 O6 Mo4 122.9(4) . 2_655
O20 O6 Mo4 135.4(4) 2_655 2_655
O19 O6 Mo4 126.6(4) 2_655 2_655
O20 O6 Mo4 69.3(3) . 2_655
Mo1 O6 Mo4 97.7(2) . 2_655
Mo2 O7 V4 138.9(4) . 2_655
Mo2 O8 V3 141.7(4) . .
Mo3 O9 V4 138.0(4) . .
Mo4 O10 V4 140.5(4) . .
V1 O11 Mo1 101.9(2) . 2_655
V1 O11 Mo4 101.7(2) . .
Mo1 O11 Mo4 132.5(3) 2_655 .
Mo3 O12 V3 140.4(4) . .
Mo1 O13 V4 139.9(4) . .
V2 O14 Mo3 101.7(2) . 2_655
V2 O14 Mo2 101.8(2) . .
Mo3 O14 Mo2 132.3(3) 2_655 .
P1 O17 O20 55.4(3) . 2_655
P1 O17 O19 55.4(3) . .
O20 O17 O19 91.4(4) 2_655 .
P1 O17 O19 54.5(3) . 2_655
O20 O17 O19 89.8(4) 2_655 2_655
O19 O17 O19 90.3(4) . 2_655
P1 O17 V4 125.0(4) . .
O20 O17 V4 69.6(3) 2_655 .
O19 O17 V4 131.8(4) . .
O19 O17 V4 131.5(4) 2_655 .
P1 O17 Mo3 123.7(4) . .
O20 O17 Mo3 129.1(4) 2_655 .
O19 O17 Mo3 68.3(3) . .
O19 O17 Mo3 134.0(4) 2_655 .
V4 O17 Mo3 89.6(2) . .
P1 O17 Mo2 122.5(3) . 2_655
O20 O17 Mo2 126.2(4) 2_655 2_655
O19 O17 Mo2 134.7(4) . 2_655
O19 O17 Mo2 68.2(3) 2_655 2_655
V4 O17 Mo2 88.8(2) . 2_655
Mo3 O17 Mo2 97.8(2) . 2_655
P1 O19 O17 54.6(3) . .
P1 O19 O6 54.9(3) . 2_655
O17 O19 O6 90.2(4) . 2_655
P1 O19 O17 53.6(3) . 2_655
O17 O19 O17 89.6(4) . 2_655
O6 O19 O17 88.7(4) 2_655 2_655
P1 O19 Mo3 124.5(4) . .
O17 O19 Mo3 69.9(3) . .
O6 O19 Mo3 129.1(4) 2_655 .
O17 O19 Mo3 135.2(4) 2_655 .
P1 O19 Mo2 122.8(4) . .
O17 O19 Mo2 135.7(4) . .
O6 O19 Mo2 126.1(4) 2_655 .
O17 O19 Mo2 69.3(3) 2_655 .
Mo3 O19 Mo2 97.6(3) . .
P1 O20 O17 55.2(3) . 2_655
P1 O20 O6 55.5(3) . 2_655
O17 O20 O6 91.3(5) 2_655 2_655
P1 O20 O6 54.3(3) . .
O17 O20 O6 89.6(4) 2_655 .
O6 O20 O6 90.2(4) 2_655 .
P1 O20 Mo1 124.4(4) . 2_655
O17 O20 Mo1 129.4(4) 2_655 2_655
O6 O20 Mo1 69.0(3) 2_655 2_655
O6 O20 Mo1 134.2(4) . 2_655
P1 O20 Mo4 122.4(4) . 2_655
O17 O20 Mo4 126.6(4) 2_655 2_655
O6 O20 Mo4 134.3(4) 2_655 2_655
O6 O20 Mo4 68.2(3) . 2_655
Mo1 O20 Mo4 97.2(3) 2_655 2_655
V1 O21 Co1 180.0 . 1_545
Mo1 O22 V3 137.5(4) . 2_655
Mo4 O23 V3 140.5(4) . .
V2 O24 Co1 180.000(1) . .
C4 N6 N4 102.3(7) . .
C23 N8 N7 102.1(7) . .
C17 N1 C23 102.4(7) . .
C17 N1 Co1 128.8(4) . .
C23 N1 Co1 128.1(5) . .
C11 N2 C19 108.0(7) . .
C11 N2 C7 124.8(7) . .
C19 N2 C7 127.2(7) . .
C20 N3 C4 101.7(6) . .
C20 N3 Co1 130.1(5) . .
C4 N3 Co1 128.2(5) . .
C20 N4 N6 109.2(6) . .
C20 N4 C16 130.5(6) . .
N6 N4 C16 119.9(6) . .
C9 N5 C11 108.9(8) . .
C17 N7 N8 108.5(6) . .
C17 N7 C18 131.0(6) . .
N8 N7 C18 120.4(6) . .
C24 N9 C12 109.1(9) . .
C24 N9 C1 125.0(8) . .
C12 N9 C1 125.8(8) . .
C6 N10 C24 107.9(10) . .
N8 C23 N1 114.9(8) . .
N8 C23 C17 76.5(6) . .
N1 C23 C17 38.4(4) . .
C21 C1 C15 121.4(8) . .
C21 C1 N9 119.9(8) . .
C15 C1 N9 118.7(7) . .
C3 C2 C5 121.7(7) . .
C3 C2 H2A 119.2 . .
C5 C2 H2A 119.2 . .
C2 C3 C7 119.0(8) . .
C2 C3 H3A 120.5 . .
C7 C3 H3A 120.5 . .
N6 C4 N3 115.4(7) . .
N6 C4 H4A 122.3 . .
N3 C4 H4A 122.3 . .
C22 C5 C2 117.6(7) . .
C22 C5 C18 120.0(7) . .
C2 C5 C18 122.3(6) . .
N10 C6 C12 107.3(10) . .
N10 C6 H6A 126.3 . .
C12 C6 H6A 126.3 . .
C3 C7 C10 121.1(8) . .
C3 C7 N2 119.9(7) . .
C10 C7 N2 119.0(6) . .
C13 C8 C14 118.5(8) . .
C13 C8 C16 120.9(7) . .
C14 C8 C16 120.6(7) . .
N5 C9 C19 107.9(9) . .
N5 C9 H9A 126.0 . .
C19 C9 H9A 126.0 . .
C22 C10 C7 119.0(7) . .
C22 C10 H10A 120.5 . .
C7 C10 H10A 120.5 . .
N2 C11 N5 109.1(8) . .
N2 C11 H11A 125.4 . .
N5 C11 H11A 125.4 . .
N9 C12 C6 106.4(10) . .
N9 C12 H12A 126.8 . .
C6 C12 H12A 126.8 . .
C21 C13 C8 121.9(7) . .
C21 C13 H13A 119.0 . .
C8 C13 H13A 119.0 . .
C8 C14 C15 120.5(7) . .
C8 C14 H14A 119.8 . .
C15 C14 H14A 119.7 . .
C1 C15 C14 118.8(7) . .
C1 C15 H15A 120.6 . .
C14 C15 H15A 120.6 . .
N4 C16 C8 110.9(6) . .
N4 C16 H16A 109.5 . .
C8 C16 H16A 109.5 . .
N4 C16 H16B 109.5 . .
C8 C16 H16B 109.5 . .
H16A C16 H16B 108.0 . .
N1 C17 N7 112.0(6) . .
N1 C17 C23 39.3(4) . .
N7 C17 C23 72.8(5) . .
N7 C18 C5 112.0(6) . .
N7 C18 H18A 109.2 . .
C5 C18 H18A 109.2 . .
N7 C18 H18B 109.2 . .
C5 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
N2 C19 C9 106.1(8) . .
N2 C19 H19A 127.0 . .
C9 C19 H19A 127.0 . .
N4 C20 N3 111.3(6) . .
N4 C20 H20A 124.3 . .
N3 C20 H20A 124.3 . .
C13 C21 C1 118.9(8) . .
C13 C21 H21A 120.6 . .
C1 C21 H21A 120.6 . .
C10 C22 C5 121.6(7) . .
C10 C22 H22A 119.2 . .
C5 C22 H22A 119.2 . .
N9 C24 N10 109.2(10) . .
N9 C24 H24A 125.4 . .
N10 C24 H24A 125.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O16 1.659(5) .
Mo1 O13 1.799(5) .
Mo1 O22 1.818(5) .
Mo1 O11 2.031(5) 2_655
Mo1 O4 2.045(5) .
Mo1 O20 2.462(7) 2_655
Mo1 O6 2.460(7) .
Mo1 V1 3.0762(10) .
Mo2 O2 1.669(4) .
Mo2 O8 1.789(6) .
Mo2 O7 1.806(6) .
Mo2 O5 2.042(5) .
Mo2 O14 2.066(5) .
Mo2 O19 2.485(7) .
Mo2 O17 2.502(7) 2_655
Mo2 V2 3.1021(10) .
Mo3 O1 1.673(5) .
Mo3 O12 1.787(5) .
Mo3 O9 1.808(6) .
Mo3 O5 2.031(5) .
Mo3 O14 2.046(5) 2_655
Mo3 O19 2.462(7) .
Mo3 O17 2.489(7) .
Mo3 V2 3.0836(10) .
Mo4 O18 1.666(4) .
Mo4 O23 1.805(6) .
Mo4 O10 1.807(5) .
Mo4 O4 2.020(5) .
Mo4 O11 2.045(5) .
Mo4 O6 2.494(7) 2_655
Mo4 O20 2.513(7) 2_655
Mo4 V1 3.0828(10) .
V3 O15 1.597(5) .
V3 O23 1.899(6) .
V3 O8 1.916(6) .
V3 O12 1.928(6) .
V3 O22 1.936(6) 2_655
V2 O24 1.645(6) .
V2 O5 1.930(4) 2_655
V2 O5 1.930(4) .
V2 O14 1.928(4) .
V2 O14 1.928(4) 2_655
V2 Mo3 3.0836(10) 2_655
V2 Mo2 3.1021(10) 2_655
Co1 O24 2.084(6) .
Co1 O21 2.094(6) 1_565
Co1 N3 2.122(6) 2_655
Co1 N3 2.122(6) .
Co1 N1 2.145(6) .
Co1 N1 2.145(6) 2_655
V4 O3 1.598(4) .
V4 O7 1.911(5) 2_655
V4 O10 1.916(5) .
V4 O13 1.919(6) .
V4 O9 1.935(6) .
V4 O17 2.471(7) .
V1 O21 1.644(6) .
V1 O4 1.925(5) .
V1 O4 1.925(5) 2_655
V1 O11 1.930(5) .
V1 O11 1.930(5) 2_655
V1 Mo1 3.0762(10) 2_655
V1 Mo4 3.0828(10) 2_655
P1 O17 1.531(7) .
P1 O17 1.531(7) 2_655
P1 O20 1.533(7) .
P1 O20 1.533(7) 2_655
P1 O6 1.546(7) .
P1 O6 1.546(7) 2_655
P1 O19 1.547(7) .
P1 O19 1.547(7) 2_655
O6 O20 1.761(10) 2_655
O6 O19 1.776(10) 2_655
O6 O20 1.812(10) .
O6 Mo4 2.494(7) 2_655
O7 V4 1.911(5) 2_655
O11 Mo1 2.031(5) 2_655
O14 Mo3 2.046(5) 2_655
O17 O20 1.744(10) 2_655
O17 O19 1.764(10) .
O17 O19 1.807(10) 2_655
O17 Mo2 2.502(7) 2_655
O19 O6 1.776(10) 2_655
O19 O17 1.807(10) 2_655
O20 O17 1.744(10) 2_655
O20 O6 1.761(10) 2_655
O20 Mo1 2.462(7) 2_655
O20 Mo4 2.513(7) 2_655
O21 Co1 2.094(6) 1_545
O22 V3 1.936(6) 2_655
N6 C4 1.309(11) .
N6 N4 1.334(10) .
N8 C23 1.316(12) .
N8 N7 1.346(10) .
N1 C17 1.295(9) .
N1 C23 1.321(10) .
N2 C11 1.317(10) .
N2 C19 1.369(11) .
N2 C7 1.450(10) .
N3 C20 1.312(9) .
N3 C4 1.326(10) .
N4 C20 1.312(9) .
N4 C16 1.456(8) .
N5 C9 1.324(12) .
N5 C11 1.326(12) .
N7 C17 1.307(9) .
N7 C18 1.469(9) .
N9 C24 1.290(12) .
N9 C12 1.339(13) .
N9 C1 1.446(11) .
N10 C6 1.322(17) .
N10 C24 1.337(15) .
C23 C17 2.039(12) .
C1 C21 1.377(11) .
C1 C15 1.380(11) .
C2 C3 1.367(13) .
C2 C5 1.402(11) .
C2 H2A 0.9300 .
C3 C7 1.377(10) .
C3 H3A 0.9300 .
C4 H4A 0.9300 .
C5 C22 1.384(10) .
C5 C18 1.492(11) .
C6 C12 1.369(17) .
C6 H6A 0.9300 .
C7 C10 1.383(11) .
C8 C13 1.382(12) .
C8 C14 1.386(10) .
C8 C16 1.504(11) .
C9 C19 1.366(13) .
C9 H9A 0.9300 .
C10 C22 1.377(11) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 H12A 0.9300 .
C13 C21 1.368(13) .
C13 H13A 0.9300 .
C14 C15 1.396(12) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C24 H24A 0.9300 .
