#------------------------------------------------------------------------------
#$Date: 2020-02-04 12:49:30 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247554 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/34/7703436.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_7703436
loop_
_publ_author_name
'Li, Jia-Hui'
'Wang, Xiu-Li'
'Song, Ge'
'Lin, Hong-Yan'
'Wang, Xiang'
'Liu, Guo-Cheng'
_publ_section_title
;
 Various Anderson-type polyoxometalate-based metal-organic complexes
 induced by diverse solvents: assembly, structures and selective
 adsorption for organic dyes.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1265
_journal_page_last               1275
_journal_paper_doi               10.1039/c9dt04397g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C24 H60 Cr2 Mo12 N6 O70 Zn4'
_chemical_formula_weight         3069.54
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-03-31 deposited with the CCDC.	2019-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.0590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.0632(7)
_cell_length_b                   11.1922(6)
_cell_length_c                   24.2976(12)
_cell_measurement_reflns_used    4601
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.800
_cell_measurement_theta_min      1.15
_cell_volume                     3916.1(3)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25202
_diffrn_reflns_theta_full        26.80
_diffrn_reflns_theta_max         26.80
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    3.437
_exptl_absorpt_correction_T_max  0.685
_exptl_absorpt_correction_T_min  0.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            PINK
_exptl_crystal_density_diffrn    2.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2956
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         1.441
_refine_diff_density_min         -1.535
_refine_diff_density_rms         0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         8368
_refine_ls_number_restraints     1252
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1255P)²+25.2511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1997
_refine_ls_wR_factor_ref         0.2128
_reflns_number_gt                6112
_reflns_number_total             8368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt04397g2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7703436
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.29662(5) 0.44551(7) 0.35197(3) 0.01549(19) Uani 1 1 d . . .
Zn1 Zn -0.17225(8) 0.41025(12) 0.38199(5) 0.0275(3) Uani 1 1 d . . .
Cr1 Cr 0.15665(9) 0.21150(12) 0.33565(5) 0.0120(3) Uani 1 1 d . . .
C1 C -0.0318(7) 0.3576(9) 0.4910(4) 0.0227(14) Uani 1 1 d U . .
O1 O 0.1043(5) 0.3371(7) 0.4616(3) 0.0318(14) Uani 1 1 d U . .
N1 N -0.1229(6) 0.3762(8) 0.4714(4) 0.0253(13) Uani 1 1 d U . .
O1W O 0.4664(11) 0.4862(14) 0.5804(6) 0.042(4) Uiso 0.547(16) 1 d PU A 1
O1W' O 0.4785(11) 0.4980(15) 0.5298(7) 0.031(3) Uiso 0.453(16) 1 d PU . 2
Mo2 Mo 0.09061(5) 0.44944(7) 0.25220(3) 0.0172(2) Uani 1 1 d . . .
Zn2 Zn 0.54077(15) 0.3858(2) 0.53675(9) 0.0759(6) Uani 1 1 d U . .
C2 C 0.0139(7) 0.3417(9) 0.5493(4) 0.0237(14) Uani 1 1 d U . .
O2 O -0.0298(5) 0.3801(6) 0.3948(3) 0.0256(12) Uani 1 1 d U . .
N2 N 0.1395(6) 0.2013(8) 0.5693(4) 0.0274(13) Uani 1 1 d U . .
H2A H 0.0939 0.1521 0.5575 0.033 Uiso 1 1 calc R . .
O2W O 0.6084(6) 0.2866(10) 0.4859(4) 0.060(2) Uani 1 1 d U A .
Mo3 Mo 0.21669(6) -0.02400(7) 0.42403(3) 0.0208(2) Uani 1 1 d . . .
N3 N 0.3873(6) 0.1571(8) 0.5931(3) 0.0268(14) Uani 1 1 d U . .
O3 O 0.1725(5) 0.3964(7) 0.5946(3) 0.0310(13) Uani 1 1 d U . .
C3 C -0.0398(7) 0.3458(9) 0.5872(4) 0.0249(15) Uani 1 1 d U . .
H3A H -0.0118 0.3371 0.6266 0.030 Uiso 1 1 calc R . .
O3W O 0.5600(5) 0.2502(8) 0.6034(4) 0.0440(15) Uani 1 1 d U A .
Mo4 Mo 0.36111(5) 0.20436(7) 0.43529(3) 0.0176(2) Uani 1 1 d . . .
C4 C -0.1350(7) 0.3629(9) 0.5664(4) 0.0266(16) Uani 1 1 d U . .
H4A H -0.1716 0.3632 0.5912 0.032 Uiso 1 1 calc R . .
O4 O 0.0486(4) 0.3207(5) 0.3123(2) 0.0155(10) Uani 1 1 d U . .
O4W O -0.3110(5) 0.4239(8) 0.3766(4) 0.0418(19) Uani 1 1 d U . .
Mo5 Mo -0.05015(5) 0.21573(8) 0.23706(3) 0.0202(2) Uani 1 1 d . . .
C5 C -0.1740(7) 0.3792(9) 0.5083(4) 0.0252(16) Uani 1 1 d U . .
H5A H -0.2375 0.3927 0.4941 0.030 Uiso 1 1 calc R . .
O5 O 0.2084(4) 0.3151(6) 0.2868(2) 0.0164(11) Uani 1 1 d U . .
O5W O -0.1935(5) 0.2340(7) 0.3469(3) 0.0315(15) Uani 1 1 d U . .
Mo6 Mo 0.01014(6) -0.01692(7) 0.32525(4) 0.0225(2) Uani 1 1 d . . .
C6 C 0.0184(7) 0.3577(9) 0.4457(4) 0.0226(13) Uani 1 1 d U . .
O6 O 0.2633(4) 0.1023(6) 0.3616(3) 0.0176(11) Uani 1 1 d U A .
O6W O -0.1879(6) 0.4808(7) 0.3012(3) 0.0390(18) Uani 1 1 d U . .
C7 C 0.1164(7) 0.3192(9) 0.5714(4) 0.0241(14) Uani 1 1 d U . .
O7 O 0.4512(5) 0.1124(7) 0.4370(3) 0.0321(16) Uani 1 1 d U A .
C8 C 0.2293(7) 0.1511(9) 0.5843(4) 0.0268(14) Uani 1 1 d U . .
O8 O 0.0806(4) 0.1049(6) 0.2754(3) 0.0172(11) Uani 1 1 d U . .
C9 C 0.3048(7) 0.2133(9) 0.5812(4) 0.0255(14) Uani 1 1 d U . .
H9A H 0.2998 0.2937 0.5711 0.031 Uiso 1 1 calc R . .
O9 O -0.0339(6) -0.1142(7) 0.2710(3) 0.0405(18) Uani 1 1 d U . .
O10 O -0.0023(5) 0.5391(7) 0.2484(3) 0.0340(16) Uani 1 1 d U . .
C10 C 0.3975(8) 0.0390(10) 0.6064(4) 0.0292(17) Uani 1 1 d U . .
H10A H 0.4554 0.0027 0.6145 0.035 Uiso 1 1 calc R . .
O11 O 0.3050(5) -0.1228(7) 0.4287(3) 0.0348(16) Uani 1 1 d U . .
C11 C 0.3230(8) -0.0236(10) 0.6076(5) 0.0318(17) Uani 1 1 d U . .
H11A H 0.3287 -0.1052 0.6150 0.038 Uiso 1 1 calc R . .
C12 C 0.2383(8) 0.0299(10) 0.5983(5) 0.0313(16) Uani 1 1 d U . .
H12A H 0.1873 -0.0138 0.6012 0.038 Uiso 1 1 calc R . .
O12 O 0.3328(5) 0.5317(6) 0.4137(3) 0.0231(13) Uiso 1 1 d U . .
O13 O 0.1326(5) -0.0831(6) 0.3524(3) 0.0237(12) Uani 1 1 d U . .
O14 O 0.3492(5) 0.5048(7) 0.3045(3) 0.0292(15) Uani 1 1 d U . .
O15 O 0.2827(5) 0.1090(6) 0.4665(3) 0.0256(11) Uani 1 1 d U A .
O16 O -0.0341(5) -0.0576(7) 0.3795(3) 0.0361(17) Uani 1 1 d U . .
O17 O -0.0859(5) 0.1183(7) 0.1803(3) 0.0325(16) Uani 1 1 d U . .
O18 O 0.1632(5) -0.0721(7) 0.4728(3) 0.0334(16) Uani 1 1 d U . .
O19 O -0.1403(5) 0.3124(7) 0.2311(3) 0.0297(15) Uani 1 1 d U . .
O20 O 0.1748(4) 0.5121(6) 0.3233(3) 0.0186(11) Uani 1 1 d U . .
O21 O 0.3759(4) 0.3088(6) 0.3745(3) 0.0199(11) Uani 1 1 d U A .
O22 O 0.0326(4) 0.3117(6) 0.2077(3) 0.0211(12) Uani 1 1 d U . .
O23 O 0.2265(4) 0.3154(5) 0.3985(2) 0.0163(10) Uani 1 1 d U A .
O24 O -0.0677(4) 0.1236(6) 0.2999(3) 0.0227(12) Uani 1 1 d U . .
O25 O 0.1404(5) 0.5052(7) 0.2035(3) 0.0312(16) Uani 1 1 d U . .
O26 O 0.1061(4) 0.1186(6) 0.3883(3) 0.0178(11) Uani 1 1 d U . .
O27 O 0.4042(6) 0.2984(7) 0.4932(3) 0.0358(12) Uani 1 1 d U A .
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'
Cr Cr 0.3209 0.6236 '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'
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
O14 Mo1 O12 106.1(3) . .
O14 Mo1 O20 100.8(3) . .
O12 Mo1 O20 97.1(3) . .
O14 Mo1 O21 97.4(3) . .
O12 Mo1 O21 100.7(3) . .
O20 Mo1 O21 149.9(3) . .
O14 Mo1 O5 94.1(3) . .
O12 Mo1 O5 158.7(3) . .
O20 Mo1 O5 72.2(2) . .
O21 Mo1 O5 82.8(3) . .
O14 Mo1 O23 162.4(3) . .
O12 Mo1 O23 90.0(3) . .
O20 Mo1 O23 84.0(2) . .
O21 Mo1 O23 71.9(2) . .
O5 Mo1 O23 71.0(2) . .
O4W Zn1 O6W 94.6(3) . .
O4W Zn1 O2 173.2(3) . .
O6W Zn1 O2 91.6(3) . .
O4W Zn1 N1 97.1(3) . .
O6W Zn1 N1 162.5(3) . .
O2 Zn1 N1 77.5(3) . .
O4W Zn1 O5W 90.7(3) . .
O6W Zn1 O5W 90.7(3) . .
O2 Zn1 O5W 86.4(3) . .
N1 Zn1 O5W 102.1(3) . .
O4W Zn1 O3 82.4(3) . 3_566
O6W Zn1 O3 82.1(3) . 3_566
O2 Zn1 O3 101.3(3) . 3_566
N1 Zn1 O3 86.5(3) . 3_566
O5W Zn1 O3 169.5(3) . 3_566
O23 Cr1 O26 91.6(3) . .
O23 Cr1 O6 85.3(3) . .
O26 Cr1 O6 84.2(3) . .
O23 Cr1 O8 176.2(2) . .
O26 Cr1 O8 84.9(3) . .
O6 Cr1 O8 95.9(3) . .
O23 Cr1 O5 84.5(2) . .
O26 Cr1 O5 175.7(3) . .
O6 Cr1 O5 97.4(3) . .
O8 Cr1 O5 98.9(2) . .
O23 Cr1 O4 93.7(3) . .
O26 Cr1 O4 94.0(3) . .
O6 Cr1 O4 178.0(2) . .
O8 Cr1 O4 84.9(3) . .
O5 Cr1 O4 84.3(2) . .
N1 C1 C2 122.2(9) . .
N1 C1 C6 115.2(8) . .
C2 C1 C6 122.6(9) . .
C1 N1 C5 119.9(8) . .
C1 N1 Zn1 114.2(6) . .
C5 N1 Zn1 125.8(7) . .
Zn2 O1W' O1W' 75.6(11) . 3_666
Zn2 O1W' Zn2 123.2(9) . 3_666
O1W' O1W' Zn2 47.6(8) 3_666 3_666
O25 Mo2 O10 105.7(4) . .
O25 Mo2 O22 97.1(3) . .
O10 Mo2 O22 102.1(3) . .
O25 Mo2 O20 100.3(3) . .
O10 Mo2 O20 98.5(3) . .
O22 Mo2 O20 148.2(3) . .
O25 Mo2 O4 161.2(3) . .
O10 Mo2 O4 91.7(3) . .
O22 Mo2 O4 71.8(2) . .
O20 Mo2 O4 83.7(2) . .
O25 Mo2 O5 92.5(3) . .
O10 Mo2 O5 160.6(3) . .
O22 Mo2 O5 81.7(3) . .
O20 Mo2 O5 71.2(2) . .
O4 Mo2 O5 71.3(2) . .
O1W' Zn2 O1W' 56.8(9) . 3_666
O1W' Zn2 O1W 38.5(7) . .
O1W' Zn2 O1W 95.0(6) 3_666 .
O1W' Zn2 O2W 137.6(7) . .
O1W' Zn2 O2W 81.5(6) 3_666 .
O1W Zn2 O2W 175.4(5) . .
O1W' Zn2 O12 97.0(7) . 3_666
O1W' Zn2 O12 93.9(5) 3_666 3_666
O1W Zn2 O12 90.2(5) . 3_666
O2W Zn2 O12 93.0(3) . 3_666
O1W' Zn2 O3W 126.2(6) . .
O1W' Zn2 O3W 175.6(5) 3_666 .
O1W Zn2 O3W 88.4(5) . .
O2W Zn2 O3W 95.0(4) . .
O12 Zn2 O3W 88.9(3) 3_666 .
O1W' Zn2 O27 82.0(7) . .
O1W' Zn2 O27 90.4(5) 3_666 .
O1W Zn2 O27 85.4(5) . .
O2W Zn2 O27 91.6(3) . .
O12 Zn2 O27 174.1(3) 3_666 .
O3W Zn2 O27 87.2(3) . .
O1W' Zn2 Zn2 32.6(6) . 3_666
O1W' Zn2 Zn2 24.2(5) 3_666 3_666
O1W Zn2 Zn2 70.9(4) . 3_666
O2W Zn2 Zn2 105.5(3) . 3_666
O12 Zn2 Zn2 95.9(2) 3_666 3_666
O3W Zn2 Zn2 158.7(2) . 3_666
O27 Zn2 Zn2 86.3(2) . 3_666
C3 C2 C1 117.3(9) . .
C3 C2 C7 120.4(9) . .
C1 C2 C7 122.3(8) . .
C6 O2 Zn1 116.4(6) . .
C7 N2 C8 127.5(9) . .
O18 Mo3 O11 105.5(4) . .
O18 Mo3 O15 98.5(3) . .
O11 Mo3 O15 101.3(3) . .
O18 Mo3 O13 101.4(3) . .
O11 Mo3 O13 97.4(3) . .
O15 Mo3 O13 147.8(3) . .
O18 Mo3 O26 92.5(3) . .
O11 Mo3 O26 160.7(3) . .
O15 Mo3 O26 82.4(3) . .
O13 Mo3 O26 71.7(3) . .
O18 Mo3 O6 160.0(3) . .
O11 Mo3 O6 93.4(3) . .
O15 Mo3 O6 70.8(2) . .
O13 Mo3 O6 82.2(2) . .
O26 Mo3 O6 69.8(2) . .
C9 N3 C10 122.6(9) . .
C7 O3 Zn1 138.3(7) . 3_566
C4 C3 C2 120.1(9) . .
O7 Mo4 O27 104.1(4) . .
O7 Mo4 O15 103.6(3) . .
O27 Mo4 O15 98.4(3) . .
O7 Mo4 O21 96.6(3) . .
O27 Mo4 O21 98.8(3) . .
O15 Mo4 O21 149.3(3) . .
O7 Mo4 O6 92.5(3) . .
O27 Mo4 O6 162.6(3) . .
O15 Mo4 O6 72.4(3) . .
O21 Mo4 O6 84.0(2) . .
O7 Mo4 O23 159.7(3) . .
O27 Mo4 O23 93.7(3) . .
O15 Mo4 O23 83.1(3) . .
O21 Mo4 O23 70.6(2) . .
O6 Mo4 O23 71.0(2) . .
C5 C4 C3 118.6(9) . .
Cr1 O4 Mo2 102.4(2) . .
Cr1 O4 Mo5 101.4(3) . .
Mo2 O4 Mo5 92.9(2) . .
O19 Mo5 O17 106.3(4) . .
O19 Mo5 O24 96.7(3) . .
O17 Mo5 O24 102.3(3) . .
O19 Mo5 O22 101.5(3) . .
O17 Mo5 O22 98.1(3) . .
O24 Mo5 O22 147.6(3) . .
O19 Mo5 O8 161.5(3) . .
O17 Mo5 O8 90.7(3) . .
O24 Mo5 O8 71.8(2) . .
O22 Mo5 O8 83.1(3) . .
O19 Mo5 O4 93.2(3) . .
O17 Mo5 O4 159.4(3) . .
O24 Mo5 O4 81.5(2) . .
O22 Mo5 O4 71.0(2) . .
O8 Mo5 O4 71.1(2) . .
N1 C5 C4 121.8(9) . .
Cr1 O5 Mo1 102.2(2) . .
Cr1 O5 Mo2 101.9(2) . .
Mo1 O5 Mo2 93.8(2) . .
O9 Mo6 O16 106.2(4) . .
O9 Mo6 O13 97.9(4) . .
O16 Mo6 O13 100.7(3) . .
O9 Mo6 O24 102.2(3) . .
O16 Mo6 O24 97.2(3) . .
O13 Mo6 O24 148.1(3) . .
O9 Mo6 O8 96.2(3) . .
O16 Mo6 O8 156.7(3) . .
O13 Mo6 O8 82.2(3) . .
O24 Mo6 O8 71.4(2) . .
O9 Mo6 O26 163.4(3) . .
O16 Mo6 O26 88.5(3) . .
O13 Mo6 O26 71.1(2) . .
O24 Mo6 O26 83.3(2) . .
O8 Mo6 O26 70.4(2) . .
O1 C6 O2 125.5(8) . .
O1 C6 C1 117.9(8) . .
O2 C6 C1 116.6(8) . .
Cr1 O6 Mo4 102.7(3) . .
Cr1 O6 Mo3 102.2(2) . .
Mo4 O6 Mo3 92.4(2) . .
O3 C7 N2 123.3(9) . .
O3 C7 C2 123.1(9) . .
N2 C7 C2 113.2(9) . .
C9 C8 C12 119.3(10) . .
C9 C8 N2 122.6(10) . .
C12 C8 N2 117.8(9) . .
Cr1 O8 Mo5 102.6(3) . .
Cr1 O8 Mo6 103.1(3) . .
Mo5 O8 Mo6 93.5(2) . .
N3 C9 C8 119.1(10) . .
C11 C10 N3 118.7(10) . .
C10 C11 C12 121.2(11) . .
C11 C12 C8 119.0(10) . .
Mo1 O12 Zn2 136.8(4) . 3_666
Mo6 O13 Mo3 119.1(3) . .
Mo4 O15 Mo3 120.4(3) . .
Mo1 O20 Mo2 119.2(3) . .
Mo1 O21 Mo4 119.7(3) . .
Mo5 O22 Mo2 118.1(3) . .
Cr1 O23 Mo1 102.2(2) . .
Cr1 O23 Mo4 101.0(3) . .
Mo1 O23 Mo4 93.0(2) . .
Mo5 O24 Mo6 118.3(3) . .
Cr1 O26 Mo3 103.8(3) . .
Cr1 O26 Mo6 101.6(3) . .
Mo3 O26 Mo6 92.2(2) . .
Mo4 O27 Zn2 136.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O14 1.713(7) .
Mo1 O12 1.731(7) .
Mo1 O20 1.913(6) .
Mo1 O21 1.919(6) .
Mo1 O5 2.273(6) .
Mo1 O23 2.284(6) .
Zn1 O4W 2.061(8) .
Zn1 O6W 2.064(8) .
Zn1 O2 2.104(7) .
Zn1 N1 2.113(8) .
Zn1 O5W 2.136(8) .
Zn1 O3 2.238(8) 3_566
Cr1 O23 1.962(6) .
Cr1 O26 1.967(6) .
Cr1 O6 1.969(6) .
Cr1 O8 1.975(6) .
Cr1 O5 1.975(6) .
Cr1 O4 1.980(6) .
C1 N1 1.331(13) .
C1 C2 1.395(14) .
C1 C6 1.506(12) .
O1 C6 1.259(12) .
N1 C5 1.341(12) .
O1W Zn2 2.084(16) .
O1W' Zn2 1.547(17) .
O1W' O1W' 1.75(3) 3_666
O1W' Zn2 2.029(16) 3_666
Mo2 O25 1.695(7) .
Mo2 O10 1.702(7) .
Mo2 O22 1.938(7) .
Mo2 O20 1.948(6) .
Mo2 O4 2.270(6) .
Mo2 O5 2.289(6) .
Zn2 O1W' 2.029(16) 3_666
Zn2 O2W 2.130(10) .
Zn2 O12 2.141(7) 3_666
Zn2 O3W 2.175(10) .
Zn2 O27 2.243(9) .
Zn2 Zn2 3.154(5) 3_666
C2 C3 1.393(13) .
C2 C7 1.500(13) .
O2 C6 1.263(11) .
N2 C7 1.369(13) .
N2 C8 1.410(13) .
Mo3 O18 1.704(7) .
Mo3 O11 1.708(7) .
Mo3 O15 1.915(7) .
Mo3 O13 1.943(7) .
Mo3 O26 2.287(6) .
Mo3 O6 2.328(6) .
N3 C9 1.347(13) .
N3 C10 1.358(14) .
O3 C7 1.224(12) .
O3 Zn1 2.238(8) 3_566
C3 C4 1.386(14) .
Mo4 O7 1.694(7) .
Mo4 O27 1.724(8) .
Mo4 O15 1.906(7) .
Mo4 O21 1.947(6) .
Mo4 O6 2.266(6) .
Mo4 O23 2.322(6) .
C4 C5 1.374(14) .
O4 Mo5 2.310(6) .
Mo5 O19 1.709(7) .
Mo5 O17 1.716(7) .
Mo5 O24 1.923(6) .
Mo5 O22 1.933(6) .
Mo5 O8 2.282(6) .
Mo6 O9 1.687(7) .
Mo6 O16 1.705(7) .
Mo6 O13 1.917(7) .
Mo6 O24 1.950(7) .
Mo6 O8 2.282(6) .
Mo6 O26 2.331(6) .
C8 C9 1.354(14) .
C8 C12 1.395(14) .
C10 C11 1.331(15) .
C11 C12 1.367(15) .
O12 Zn2 2.141(7) 3_666
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.972 0.100 0.467 7 5 ' '
2 0.669 0.222 0.225 18 9 ' '
3 0.029 0.253 0.834 17 10 ' '
4 0.529 0.247 0.334 17 10 ' '
5 0.813 0.240 0.717 21 9 ' '
6 0.169 0.278 0.725 18 9 ' '
7 0.313 0.260 0.217 21 9 ' '
8 0.472 0.400 0.967 7 5 ' '
9 0.528 0.600 0.033 7 5 ' '
10 0.831 0.722 0.275 18 9 ' '
11 0.471 0.753 0.666 17 10 ' '
12 0.971 0.747 0.166 17 10 ' '
13 0.687 0.740 0.783 22 9 ' '
14 0.331 0.778 0.775 18 9 ' '
15 0.187 0.760 0.283 22 9 ' '
16 0.028 0.900 0.533 7 5 ' '
