#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:46:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180448 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/17/7211790.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_7211790
loop_
_publ_author_name
'Shi, Shu-Yun'
'Zou, Yong-Cun'
'Cui, Xiao-Bing'
'Xu, Jia-Ning'
'Wang, Yan'
'Wang, Guo-Wu'
'Yang, Guang-Di'
'Xu, Ji-Qing'
'Wang, Tie-Gang'
'Gao, Zhong-Min'
_publ_section_title
;
 0D and 1D dimensional structures based on the combination of
 polyoxometalates, transition metal coordination complexes and organic
 amines
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2122
_journal_paper_doi               10.1039/b914655e
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C58 H49 Mo8 N10 O46 P V6 Zn2'
_chemical_formula_weight         2856.94
_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                116.77(3)
_cell_angle_beta                 96.74(3)
_cell_angle_gamma                93.50(3)
_cell_formula_units_Z            1
_cell_length_a                   13.537(3)
_cell_length_b                   13.544(3)
_cell_length_c                   13.894(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2239.9(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0837
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18685
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    2.309
_exptl_absorpt_correction_T_max  0.6038
_exptl_absorpt_correction_T_min  0.4340
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.118
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.686
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         8711
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1335P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2083
_refine_ls_wR_factor_ref         0.2416
_reflns_number_gt                5002
_reflns_number_total             8711
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914655e.txt
_cod_data_source_block           k-3
_cod_original_cell_volume        2239.9(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7211790
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 0.54518(7) 0.28220(7) 1.04780(9) 0.0473(3) Uani 1 1 d .
Mo2 Mo 0.72808(7) -0.08069(7) 0.90051(9) 0.0449(3) Uani 1 1 d .
Mo3 Mo 0.72452(7) 0.16049(8) 1.17608(9) 0.0484(3) Uani 1 1 d .
Mo4 Mo 0.54578(7) 0.03923(8) 0.77232(8) 0.0458(3) Uani 1 1 d .
V1 V 0.72528(13) 0.16516(14) 0.95611(15) 0.0385(4) Uani 1 1 d .
V2 V 0.50279(14) -0.23276(14) 0.73690(15) 0.0408(5) Uani 1 1 d .
V3 V 0.67420(13) -0.11755(13) 1.12049(14) 0.0372(4) Uani 1 1 d .
Zn1 Zn 0.87043(10) 0.25376(10) 0.82052(11) 0.0450(4) Uani 1 1 d .
P1 P 0.5000 0.0000 1.0000 0.0258(7) Uani 1 2 d S
O1 O 0.5037(7) -0.3350(7) 0.6192(7) 0.075(3) Uani 1 1 d .
O2 O 0.4226(6) 0.2456(7) 0.9749(8) 0.081(3) Uani 1 1 d .
O3 O 0.7329(9) -0.1319(6) 0.9983(7) 0.085(3) Uani 1 1 d .
O4 O 0.6395(7) 0.2231(9) 1.2664(8) 0.083(3) Uani 1 1 d .
O5 O 0.7296(9) 0.0375(7) 1.1905(7) 0.084(3) Uani 1 1 d .
O6 O 0.5143(7) -0.1092(6) 0.7045(8) 0.078(3) Uani 1 1 d .
O7 O 0.7503(6) -0.1696(7) 1.1764(7) 0.064(2) Uani 1 1 d .
O8 O 0.6410(7) -0.1935(6) 0.7966(8) 0.075(3) Uani 1 1 d .
O9 O 0.5772(6) 0.4080(6) 1.0619(8) 0.067(3) Uani 1 1 d .
O10 O 0.5790(7) 0.0681(8) 0.6764(8) 0.077(3) Uani 1 1 d .
O11 O 0.5984(5) 0.1906(6) 0.9046(6) 0.052(2) Uani 1 1 d .
O12 O 0.8366(6) -0.1061(6) 0.8529(8) 0.063(2) Uani 1 1 d .
O13 O 0.8335(6) 0.2379(7) 1.2456(7) 0.060(2) Uani 1 1 d .
O14 O 0.8208(5) 0.2351(6) 0.9376(6) 0.0482(19) Uani 1 1 d .
O15 O 0.6840(6) 0.0216(6) 0.8368(6) 0.057(2) Uani 1 1 d .
O16 O 0.6815(6) 0.2466(7) 1.0938(7) 0.057(2) Uani 1 1 d .
O17 O 0.7661(7) 0.0778(6) 1.0255(6) 0.058(2) Uani 1 1 d .
O18 O 0.5119(7) 0.3063(10) 1.1750(9) 0.092(4) Uani 1 1 d .
O19 O 0.4233(6) 0.0765(8) 0.7833(8) 0.082(3) Uani 1 1 d .
O20 O 0.5099(9) -0.0744(10) 1.0545(11) 0.032(3) Uani 0.50 1 d P
O21 O 0.4519(10) 0.0412(11) 1.0983(11) 0.038(3) Uani 0.50 1 d P
O22 O 0.6118(9) -0.0068(10) 1.0302(11) 0.035(3) Uani 0.50 1 d P
O23 O 0.5490(9) 0.1205(9) 1.0862(11) 0.032(3) Uani 0.50 1 d P
C1 C 0.9974(9) 0.0770(10) 0.8379(11) 0.060(3) Uani 1 1 d .
H1 H 1.0134 0.1256 0.9123 0.080 Uiso 1 1 calc R
C2 C 1.0364(10) -0.0256(11) 0.7960(15) 0.081(5) Uani 1 1 d .
H2 H 1.0760 -0.0459 0.8419 0.080 Uiso 1 1 calc R
C3 C 1.0134(11) -0.0977(12) 0.6812(15) 0.082(5) Uani 1 1 d .
H3 H 1.0416 -0.1639 0.6516 0.080 Uiso 1 1 calc R
C4 C 0.9478(11) -0.0703(11) 0.6106(13) 0.072(4) Uani 1 1 d .
C5 C 0.9166(16) -0.1320(14) 0.5013(14) 0.103(6) Uani 1 1 d .
H5 H 0.9420 -0.1993 0.4659 0.080 Uiso 1 1 calc R
C6 C 0.8544(15) -0.1040(15) 0.4431(15) 0.103(6) Uani 1 1 d .
H6 H 0.8344 -0.1526 0.3692 0.080 Uiso 1 1 calc R
C7 C 0.8148(13) 0.0020(15) 0.4909(13) 0.092(5) Uani 1 1 d .
C8 C 0.7514(15) 0.0324(17) 0.4361(17) 0.108(6) Uiso 1 1 d .
H8 H 0.7312 -0.0133 0.3616 0.080 Uiso 1 1 calc R
C9 C 0.7116(14) 0.1356(19) 0.4885(15) 0.129(8) Uani 1 1 d .
H9 H 0.6684 0.1592 0.4483 0.080 Uiso 1 1 calc R
C10 C 0.7392(12) 0.2007(13) 0.6021(12) 0.077(4) Uani 1 1 d .
H10 H 0.7089 0.2643 0.6382 0.080 Uiso 1 1 calc R
C11 C 0.8436(10) 0.0710(10) 0.6007(11) 0.060(3) Uani 1 1 d .
C12 C 0.9094(9) 0.0395(10) 0.6689(12) 0.060(3) Uani 1 1 d .
C13 C 1.0860(9) 0.3471(9) 0.8399(10) 0.056(3) Uani 1 1 d .
H13 H 1.1031 0.2782 0.8303 0.080 Uiso 1 1 calc R
C14 C 1.1641(9) 0.4297(11) 0.8461(10) 0.059(3) Uani 1 1 d .
H14 H 1.2301 0.4148 0.8424 0.080 Uiso 1 1 calc R
C15 C 1.1381(9) 0.5273(11) 0.8572(11) 0.065(4) Uani 1 1 d .
H15 H 1.1869 0.5812 0.8614 0.080 Uiso 1 1 calc R
C16 C 1.0375(9) 0.5507(9) 0.8627(10) 0.051(3) Uani 1 1 d .
C17 C 1.0021(9) 0.6502(10) 0.8730(11) 0.057(3) Uani 1 1 d .
H17 H 1.0472 0.7055 0.8739 0.080 Uiso 1 1 calc R
C18 C 0.9075(9) 0.6689(9) 0.8813(11) 0.059(3) Uani 1 1 d .
H18 H 0.8884 0.7368 0.8899 0.080 Uiso 1 1 calc R
C19 C 0.8348(9) 0.5852(9) 0.8771(10) 0.049(3) Uani 1 1 d .
C20 C 0.7342(9) 0.5981(9) 0.8851(11) 0.057(3) Uani 1 1 d .
H20 H 0.7110 0.6642 0.8936 0.080 Uiso 1 1 calc R
C21 C 0.6698(9) 0.5138(10) 0.8804(12) 0.067(4) Uani 1 1 d .
H21 H 0.6029 0.5225 0.8871 0.080 Uiso 1 1 calc R
C22 C 0.7053(10) 0.4166(10) 0.8657(12) 0.065(4) Uani 1 1 d .
H22 H 0.6605 0.3596 0.8620 0.080 Uiso 1 1 calc R
C23 C 0.8642(8) 0.4821(8) 0.8611(8) 0.040(2) Uani 1 1 d .
C24 C 0.9664(8) 0.4654(8) 0.8555(8) 0.041(3) Uani 1 1 d .
N5 N 0.6390(10) 0.6864(14) 0.4508(14) 0.074(6) Uani 0.50 1 d PGDU
C25 C 0.7020(12) 0.7395(9) 0.5512(13) 0.075(8) Uiso 0.50 1 d PGD
C26 C 0.7693(11) 0.6810(13) 0.5815(10) 0.045(5) Uani 0.50 1 d PGDU
C27 C 0.7735(10) 0.5694(13) 0.5115(13) 0.113(12) Uiso 0.50 1 d PGD
C33 C 0.7104(13) 0.5163(10) 0.4112(13) 0.061(6) Uani 0.50 1 d PGDU
C34 C 0.6431(12) 0.5748(14) 0.3808(11) 0.119(16) Uani 0.50 1 d PGD
C28 C 0.8429(11) 0.5098(14) 0.5368(12) 0.057(6) Uani 0.50 1 d PGDU
C29 C 0.9384(14) 0.5626(11) 0.5922(16) 0.103(12) Uani 0.50 1 d PGD
C30 C 1.0088(10) 0.5028(17) 0.6159(16) 0.108(13) Uani 0.50 1 d PGD
N6 N 0.9837(14) 0.3902(16) 0.5842(13) 0.064(6) Uani 0.50 1 d PGD
C31 C 0.8882(16) 0.3374(10) 0.5288(15) 0.089(10) Uani 0.50 1 d PGD
C32 C 0.8178(11) 0.3971(15) 0.5051(13) 0.092(11) Uani 0.50 1 d PGD
N1 N 0.9379(7) 0.1069(7) 0.7738(8) 0.049(2) Uani 1 1 d .
N2 N 0.8085(7) 0.1725(8) 0.6592(9) 0.058(3) Uani 1 1 d .
N3 N 0.8017(7) 0.3981(7) 0.8563(8) 0.047(2) Uani 1 1 d .
N4 N 0.9934(6) 0.3657(7) 0.8473(7) 0.040(2) Uani 1 1 d .
O1W O 0.6001(19) 0.440(3) 0.612(2) 0.334(18) Uani 1 1 d .
O2W O 0.5821(14) 0.6646(13) 0.2055(17) 0.187(7) Uani 1 1 d .
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'
Zn Zn 0.2839 1.4301 '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'
P P 0.1023 0.0942 '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
O9 Mo1 O2 103.3(5) . .
O9 Mo1 O18 104.3(5) . .
O2 Mo1 O18 96.5(5) . .
O9 Mo1 O16 100.3(4) . .
O2 Mo1 O16 153.4(4) . .
O18 Mo1 O16 89.5(4) . .
O9 Mo1 O11 98.7(4) . .
O2 Mo1 O11 89.7(4) . .
O18 Mo1 O11 154.0(4) . .
O16 Mo1 O11 74.5(3) . .
O9 Mo1 O23 158.3(5) . .
O2 Mo1 O23 97.0(5) . .
O18 Mo1 O23 65.3(5) . .
O16 Mo1 O23 62.1(4) . .
O11 Mo1 O23 88.9(4) . .
O9 Mo1 V1 101.1(3) . .
O2 Mo1 V1 124.1(3) . .
O18 Mo1 V1 124.6(3) . .
O16 Mo1 V1 37.6(2) . .
O11 Mo1 V1 37.0(2) . .
O23 Mo1 V1 73.0(3) . .
O12 Mo2 O3 104.1(5) . .
O12 Mo2 O8 102.7(5) . .
O3 Mo2 O8 96.1(4) . .
O12 Mo2 O15 98.8(4) . .
O3 Mo2 O15 154.1(4) . .
O8 Mo2 O15 90.4(3) . .
O12 Mo2 O17 101.2(4) . .
O3 Mo2 O17 89.2(3) . .
O8 Mo2 O17 153.4(4) . .
O15 Mo2 O17 74.5(3) . .
O12 Mo2 O22 159.5(5) . .
O3 Mo2 O22 66.0(5) . .
O8 Mo2 O22 96.3(5) . .
O15 Mo2 O22 88.4(4) . .
O17 Mo2 O22 62.2(4) . .
O12 Mo2 V1 101.7(3) . .
O3 Mo2 V1 124.3(3) . .
O8 Mo2 V1 124.8(3) . .
O15 Mo2 V1 37.1(2) . .
O17 Mo2 V1 37.4(2) . .
O22 Mo2 V1 72.8(3) . .
O13 Mo3 O4 102.7(5) . .
O13 Mo3 O5 104.1(4) . .
O4 Mo3 O5 98.8(5) . .
O13 Mo3 O16 98.7(4) . .
O4 Mo3 O16 89.3(4) . .
O5 Mo3 O16 153.4(4) . .
O13 Mo3 O17 98.9(4) . .
O4 Mo3 O17 154.5(4) . .
O5 Mo3 O17 88.7(4) . .
O16 Mo3 O17 74.2(3) . .
O13 Mo3 O23 157.0(4) . .
O4 Mo3 O23 66.1(5) . .
O5 Mo3 O23 97.6(4) . .
O16 Mo3 O23 62.5(4) . .
O17 Mo3 O23 88.9(4) . .
O13 Mo3 O22 156.1(4) . .
O4 Mo3 O22 100.2(5) . .
O5 Mo3 O22 65.3(4) . .
O16 Mo3 O22 88.3(4) . .
O17 Mo3 O22 60.9(4) . .
O23 Mo3 O22 43.8(4) . .
O13 Mo3 V1 100.4(3) . .
O4 Mo3 V1 124.3(3) . .
O5 Mo3 V1 123.2(3) . .
O16 Mo3 V1 37.3(2) . .
O17 Mo3 V1 36.9(2) . .
O23 Mo3 V1 73.1(3) . .
O22 Mo3 V1 71.6(3) . .
O10 Mo4 O19 104.2(5) . .
O10 Mo4 O6 104.0(5) . .
O19 Mo4 O6 98.4(4) . .
O10 Mo4 O11 98.2(4) . .
O19 Mo4 O11 88.3(3) . .
O6 Mo4 O11 154.3(4) . .
O10 Mo4 O15 99.2(4) . .
O19 Mo4 O15 152.5(4) . .
O6 Mo4 O15 89.6(3) . .
O11 Mo4 O15 74.1(3) . .
O10 Mo4 O20 157.4(4) . 2_657
O19 Mo4 O20 65.0(4) . 2_657
O6 Mo4 O20 97.4(4) . 2_657
O11 Mo4 O20 63.0(4) . 2_657
O15 Mo4 O20 88.0(4) . 2_657
O10 Mo4 O21 159.5(4) . 2_657
O19 Mo4 O21 95.5(5) . 2_657
O6 Mo4 O21 67.3(4) . 2_657
O11 Mo4 O21 87.5(4) . 2_657
O15 Mo4 O21 63.4(4) . 2_657
O20 Mo4 O21 39.9(4) 2_657 2_657
O10 Mo4 V1 100.6(3) . .
O19 Mo4 V1 122.6(3) . .
O6 Mo4 V1 124.2(3) . .
O11 Mo4 V1 37.0(2) . .
O15 Mo4 V1 37.0(2) . .
O20 Mo4 V1 72.4(3) 2_657 .
O21 Mo4 V1 72.4(3) 2_657 .
O14 V1 O11 113.0(4) . .
O14 V1 O15 113.0(4) . .
O11 V1 O15 81.5(3) . .
O14 V1 O17 113.6(4) . .
O11 V1 O17 133.3(4) . .
O15 V1 O17 81.2(3) . .
O14 V1 O16 113.3(4) . .
O11 V1 O16 81.2(3) . .
O15 V1 O16 133.7(4) . .
O17 V1 O16 80.3(3) . .
O14 V1 Mo2 120.4(3) . .
O11 V1 Mo2 111.4(2) . .
O15 V1 Mo2 40.4(2) . .
O17 V1 Mo2 40.8(2) . .
O16 V1 Mo2 111.0(2) . .
O14 V1 Mo4 120.7(3) . .
O11 V1 Mo4 40.7(2) . .
O15 V1 Mo4 40.8(2) . .
O17 V1 Mo4 110.9(2) . .
O16 V1 Mo4 111.1(3) . .
Mo2 V1 Mo4 75.00(6) . .
O14 V1 Mo1 120.3(3) . .
O11 V1 Mo1 40.9(2) . .
O15 V1 Mo1 111.8(3) . .
O17 V1 Mo1 110.4(3) . .
O16 V1 Mo1 40.4(2) . .
Mo2 V1 Mo1 119.34(7) . .
Mo4 V1 Mo1 75.40(6) . .
O14 V1 Mo3 120.7(3) . .
O11 V1 Mo3 110.8(3) . .
O15 V1 Mo3 111.2(3) . .
O17 V1 Mo3 40.3(2) . .
O16 V1 Mo3 40.0(2) . .
Mo2 V1 Mo3 75.33(6) . .
Mo4 V1 Mo3 118.57(6) . .
Mo1 V1 Mo3 74.48(6) . .
O1 V2 O8 102.3(5) . .
O1 V2 O18 102.3(5) . 2_657
O8 V2 O18 89.0(4) . 2_657
O1 V2 O6 101.0(5) . .
O8 V2 O6 87.2(4) . .
O18 V2 O6 156.7(5) 2_657 .
O1 V2 O4 101.1(5) . 2_657
O8 V2 O4 156.6(4) . 2_657
O18 V2 O4 85.9(4) 2_657 2_657
O6 V2 O4 88.5(4) . 2_657
O1 V2 O23 159.7(4) . 2_657
O8 V2 O23 93.0(4) . 2_657
O18 V2 O23 64.3(4) 2_657 2_657
O6 V2 O23 92.9(4) . 2_657
O4 V2 O23 64.3(4) 2_657 2_657
O7 V3 O3 102.5(5) . .
O7 V3 O19 101.6(5) . 2_657
O3 V3 O19 155.9(5) . 2_657
O7 V3 O5 102.4(5) . .
O3 V3 O5 87.0(4) . .
O19 V3 O5 87.7(4) 2_657 .
O7 V3 O2 101.9(5) . 2_657
O3 V3 O2 89.5(4) . 2_657
O19 V3 O2 85.8(4) 2_657 2_657
O5 V3 O2 155.6(5) . 2_657
O14 Zn1 N2 126.0(4) . .
O14 Zn1 N4 122.8(3) . .
N2 Zn1 N4 111.2(4) . .
O14 Zn1 N3 92.1(3) . .
N2 Zn1 N3 95.7(4) . .
N4 Zn1 N3 79.8(3) . .
O14 Zn1 N1 91.1(3) . .
N2 Zn1 N1 80.8(4) . .
N4 Zn1 N1 100.1(3) . .
N3 Zn1 N1 176.2(4) . .
O21 P1 O21 180.0(7) . 2_657
O21 P1 O20 68.8(7) . .
O21 P1 O20 111.2(7) 2_657 .
O21 P1 O20 111.2(7) . 2_657
O21 P1 O20 68.8(7) 2_657 2_657
O20 P1 O20 180.000(5) . 2_657
O21 P1 O22 69.9(7) . 2_657
O21 P1 O22 110.1(7) 2_657 2_657
O20 P1 O22 109.7(7) . 2_657
O20 P1 O22 70.3(7) 2_657 2_657
O21 P1 O22 110.1(7) . .
O21 P1 O22 69.9(7) 2_657 .
O20 P1 O22 70.3(7) . .
O20 P1 O22 109.7(7) 2_657 .
O22 P1 O22 180.0(11) 2_657 .
O21 P1 O23 111.3(7) . 2_657
O21 P1 O23 68.7(7) 2_657 2_657
O20 P1 O23 72.5(7) . 2_657
O20 P1 O23 107.5(7) 2_657 2_657
O22 P1 O23 73.1(6) 2_657 2_657
O22 P1 O23 106.9(6) . 2_657
O21 P1 O23 68.7(7) . .
O21 P1 O23 111.3(7) 2_657 .
O20 P1 O23 107.5(7) . .
O20 P1 O23 72.5(7) 2_657 .
O22 P1 O23 106.9(6) 2_657 .
O22 P1 O23 73.1(6) . .
O23 P1 O23 180.000(2) 2_657 .
Mo1 O2 V3 141.7(5) . 2_657
Mo2 O3 V3 140.8(6) . .
Mo3 O4 V2 139.6(6) . 2_657
Mo3 O5 V3 141.5(6) . .
Mo4 O6 V2 140.3(6) . .
Mo2 O8 V2 141.5(5) . .
V1 O11 Mo4 102.3(3) . .
V1 O11 Mo1 102.1(4) . .
Mo4 O11 Mo1 132.4(4) . .
V1 O14 Zn1 139.4(5) . .
V1 O15 Mo2 102.5(4) . .
V1 O15 Mo4 102.2(3) . .
Mo2 O15 Mo4 132.1(4) . .
V1 O16 Mo3 102.7(3) . .
V1 O16 Mo1 102.1(4) . .
Mo3 O16 Mo1 132.7(4) . .
V1 O17 Mo2 101.8(4) . .
V1 O17 Mo3 102.7(3) . .
Mo2 O17 Mo3 133.4(4) . .
Mo1 O18 V2 141.0(6) . 2_657
Mo4 O19 V3 143.2(6) . 2_657
P1 O20 O21 54.5(6) . .
P1 O20 O22 55.7(6) . .
O21 O20 O22 91.6(8) . .
P1 O20 Mo4 125.4(7) . 2_657
O21 O20 Mo4 71.0(6) . 2_657
O22 O20 Mo4 129.7(8) . 2_657
P1 O21 O20 56.7(6) . .
P1 O21 O23 58.3(6) . .
O20 O21 O23 93.8(8) . .
P1 O21 O22 56.9(6) . 2_657
O20 O21 O22 94.0(9) . 2_657
O23 O21 O22 93.0(9) . 2_657
P1 O21 Mo4 125.7(7) . 2_657
O20 O21 Mo4 69.0(6) . 2_657
O23 O21 Mo4 127.1(8) . 2_657
O22 O21 Mo4 136.1(8) 2_657 2_657
P1 O22 O21 53.1(6) . 2_657
P1 O22 O20 54.1(6) . .
O21 O22 O20 89.9(9) 2_657 .
P1 O22 Mo2 125.3(7) . .
O21 O22 Mo2 72.3(6) 2_657 .
O20 O22 Mo2 130.8(8) . .
P1 O22 Mo3 120.7(6) . .
O21 O22 Mo3 134.9(8) 2_657 .
O20 O22 Mo3 123.9(8) . .
Mo2 O22 Mo3 98.9(4) . .
P1 O23 O21 53.0(6) . .
P1 O23 V2 125.8(7) . 2_657
O21 O23 V2 72.8(6) . 2_657
P1 O23 Mo3 122.2(6) . .
O21 O23 Mo3 127.8(8) . .
V2 O23 Mo3 90.1(4) 2_657 .
P1 O23 Mo1 122.3(7) . .
O21 O23 Mo1 129.5(8) . .
V2 O23 Mo1 89.4(4) 2_657 .
Mo3 O23 Mo1 98.2(4) . .
N1 C1 C2 122.0(13) . .
C1 C2 C3 118.2(14) . .
C2 C3 C4 121.4(13) . .
C5 C4 C3 128.0(15) . .
C5 C4 C12 118.5(15) . .
C3 C4 C12 113.5(13) . .
C6 C5 C4 124.8(16) . .
C5 C6 C7 121.1(16) . .
C8 C7 C11 118.6(18) . .
C8 C7 C6 123.1(18) . .
C11 C7 C6 118.2(15) . .
C7 C8 C9 120.7(19) . .
C10 C9 C8 118.7(16) . .
N2 C10 C9 121.0(15) . .
C7 C11 N2 124.9(14) . .
C7 C11 C12 121.8(13) . .
N2 C11 C12 113.1(12) . .
N1 C12 C11 121.4(11) . .
N1 C12 C4 123.0(12) . .
C11 C12 C4 115.4(13) . .
N4 C13 C14 122.8(11) . .
C15 C14 C13 118.1(11) . .
C14 C15 C16 121.3(12) . .
C17 C16 C24 117.4(10) . .
C17 C16 C15 125.8(11) . .
C24 C16 C15 116.8(10) . .
C18 C17 C16 123.1(11) . .
C17 C18 C19 120.5(11) . .
C20 C19 C23 116.9(10) . .
C20 C19 C18 124.1(10) . .
C23 C19 C18 119.0(10) . .
C21 C20 C19 120.3(10) . .
C22 C21 C20 118.8(11) . .
N3 C22 C21 124.0(11) . .
N3 C23 C19 123.6(10) . .
N3 C23 C24 116.9(9) . .
C19 C23 C24 119.3(10) . .
N4 C24 C16 122.0(10) . .
N4 C24 C23 117.4(9) . .
C16 C24 C23 120.5(9) . .
C25 N5 C34 120.0 . .
N5 C25 C26 120.0 . .
C27 C26 C25 120.0 . .
C33 C27 C26 120.0 . .
C33 C27 C28 118.3(14) . .
C26 C27 C28 121.6(14) . .
C34 C33 C27 120.0 . .
C33 C34 N5 120.0 . .
C29 C28 C32 120.0 . .
C29 C28 C27 119.7(16) . .
C32 C28 C27 120.2(16) . .
C30 C29 C28 120.0 . .
C29 C30 N6 120.0 . .
C30 N6 C31 120.0 . .
N6 C31 C32 120.0 . .
C31 C32 C28 120.0 . .
C12 N1 C1 121.5(10) . .
C12 N1 Zn1 110.5(8) . .
C1 N1 Zn1 127.8(8) . .
C10 N2 C11 115.8(12) . .
C10 N2 Zn1 130.2(9) . .
C11 N2 Zn1 113.9(8) . .
C23 N3 C22 116.4(9) . .
C23 N3 Zn1 112.4(7) . .
C22 N3 Zn1 130.9(8) . .
C13 N4 C24 118.8(9) . .
C13 N4 Zn1 128.1(8) . .
C24 N4 Zn1 112.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O9 1.649(8) .
Mo1 O2 1.755(9) .
Mo1 O18 1.766(9) .
Mo1 O16 2.038(7) .
Mo1 O11 2.058(8) .
Mo1 O23 2.478(11) .
Mo1 V1 3.076(2) .
Mo2 O12 1.673(8) .
Mo2 O3 1.779(9) .
Mo2 O8 1.789(8) .
Mo2 O15 2.035(8) .
Mo2 O17 2.045(7) .
Mo2 O22 2.441(12) .
Mo2 V1 3.064(2) .
Mo3 O13 1.665(8) .
Mo3 O4 1.766(9) .
Mo3 O5 1.770(8) .
Mo3 O16 2.033(8) .
Mo3 O17 2.047(8) .
Mo3 O23 2.457(12) .
Mo3 O22 2.507(13) .
Mo3 V1 3.086(2) .
Mo4 O10 1.649(8) .
Mo4 O19 1.766(8) .
Mo4 O6 1.790(8) .
Mo4 O11 2.052(7) .
Mo4 O15 2.053(8) .
Mo4 O20 2.454(13) 2_657
Mo4 O21 2.485(14) 2_657
Mo4 V1 3.074(3) .
V1 O14 1.669(7) .
V1 O11 1.894(7) .
V1 O15 1.894(7) .
V1 O17 1.902(8) .
V1 O16 1.917(8) .
V2 O1 1.599(8) .
V2 O8 1.895(9) .
V2 O18 1.913(9) 2_657
V2 O6 1.921(9) .
V2 O4 1.935(9) 2_657
V2 O23 2.452(13) 2_657
V3 O7 1.599(7) .
V3 O3 1.895(9) .
V3 O19 1.916(8) 2_657
V3 O5 1.927(8) .
V3 O2 1.930(8) 2_657
Zn1 O14 1.941(8) .
Zn1 N2 2.040(11) .
Zn1 N4 2.060(8) .
Zn1 N3 2.095(8) .
Zn1 N1 2.100(9) .
P1 O21 1.472(12) .
P1 O21 1.472(12) 2_657
P1 O20 1.513(12) .
P1 O20 1.513(12) 2_657
P1 O22 1.542(12) 2_657
P1 O22 1.542(12) .
P1 O23 1.568(12) 2_657
P1 O23 1.568(12) .
O2 V3 1.930(8) 2_657
O4 V2 1.935(9) 2_657
O18 V2 1.913(9) 2_657
O19 V3 1.916(8) 2_657
O20 O21 1.687(17) .
O20 O22 1.758(18) .
O20 Mo4 2.454(13) 2_657
O21 O23 1.718(18) .
O21 O22 1.73(2) 2_657
O21 Mo4 2.485(14) 2_657
O22 O21 1.73(2) 2_657
O23 V2 2.452(13) 2_657
C1 N1 1.343(15) .
C1 C2 1.408(16) .
C2 C3 1.43(2) .
C3 C4 1.43(2) .
C4 C5 1.36(2) .
C4 C12 1.499(17) .
C5 C6 1.29(2) .
C6 C7 1.45(2) .
C7 C8 1.29(2) .
C7 C11 1.372(19) .
C8 C9 1.43(2) .
C9 C10 1.41(2) .
C10 N2 1.341(17) .
C11 N2 1.393(15) .
C11 C12 1.444(18) .
C12 N1 1.316(16) .
C13 N4 1.300(14) .
C13 C14 1.457(16) .
C14 C15 1.335(17) .
C15 C16 1.420(16) .
C16 C17 1.410(15) .
C16 C24 1.417(15) .
C17 C18 1.329(16) .
C18 C19 1.431(15) .
C19 C20 1.394(16) .
C19 C23 1.402(14) .
C20 C21 1.366(16) .
C21 C22 1.366(16) .
C22 N3 1.354(14) .
C23 N3 1.348(13) .
C23 C24 1.420(14) .
C24 N4 1.380(12) .
N5 C25 1.3900 .
N5 C34 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C27 C33 1.3900 .
C27 C28 1.3902(11) .
C33 C34 1.3900 .
C28 C29 1.3900 .
C28 C32 1.3900 .
C29 C30 1.3900 .
C30 N6 1.3900 .
N6 C31 1.3900 .
C31 C32 1.3900 .
