#------------------------------------------------------------------------------
#$Date: 2020-02-04 11:49:30 +0100 (mar 04 de feb de 2020) $
#$Revision: 247554 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/34/7703435.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_7703435
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 H62 Al2 Co3 Mo12 N6 O70'
_chemical_formula_weight         2936.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2018-03-30 deposited with the CCDC.	2019-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                106.140(3)
_cell_angle_beta                 97.910(3)
_cell_angle_gamma                111.844(3)
_cell_formula_units_Z            1
_cell_length_a                   12.343(2)
_cell_length_b                   13.014(2)
_cell_length_c                   14.456(3)
_cell_measurement_reflns_used    2613
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.590
_cell_measurement_theta_min      1.12
_cell_volume                     1993.3(6)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12604
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    2.568
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1419
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         2.338
_refine_diff_density_min         -2.156
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9070
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0529P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                5647
_reflns_number_total             9070
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt04397g2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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_database_code               7703435
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 -0.17260(5) 0.40841(5) 1.14574(5) 0.02362(14) Uani 1 1 d .
Co1 Co -0.02523(8) 0.24405(8) 0.46929(7) 0.0237(2) Uani 1 1 d .
N1 N -0.0086(5) 0.0888(4) 0.3881(4) 0.0209(12) Uani 1 1 d .
O1W O 0.1780(6) 0.0648(6) 1.0907(5) 0.0637(19) Uani 1 1 d .
O1 O -0.1689(4) 0.1084(4) 0.4850(4) 0.0276(11) Uani 1 1 d .
C1 C 0.0783(6) 0.0862(6) 0.3442(5) 0.0284(16) Uani 1 1 d .
H1A H 0.1308 0.1552 0.3378 0.034 Uiso 1 1 calc R
Al1 Al 0.0000 0.5000 1.0000 0.0165(5) Uani 1 2 d S
Mo2 Mo -0.20404(5) 0.60038(5) 1.04941(5) 0.02536(15) Uani 1 1 d .
Co2 Co 0.0000 0.0000 1.0000 0.0343(4) Uani 1 2 d S
C2 C 0.0926(6) -0.0177(7) 0.3073(6) 0.0331(17) Uani 1 1 d .
H2A H 0.1559 -0.0173 0.2790 0.040 Uiso 1 1 calc R
O2W O 0.0976(4) 0.3554(4) 0.4215(4) 0.0375(13) Uani 1 1 d .
O2 O -0.2492(4) -0.0840(4) 0.4638(4) 0.0315(12) Uani 1 1 d .
N2 N -0.2784(5) -0.2844(5) 0.2963(4) 0.0233(12) Uani 1 1 d .
H2B H -0.2934 -0.2445 0.2620 0.028 Uiso 1 1 calc R
Al2 Al 0.5000 1.0000 1.5000 0.0225(6) Uani 1 2 d S
Mo3 Mo 0.39649(5) 0.71790(5) 1.46950(5) 0.03006(16) Uani 1 1 d .
O3W O -0.1689(4) 0.2494(4) 0.3609(4) 0.0348(12) Uani 1 1 d .
C3 C 0.0124(6) -0.1200(6) 0.3133(5) 0.0259(15) Uani 1 1 d .
H3A H 0.0198 -0.1904 0.2883 0.031 Uiso 1 1 calc R
O3 O -0.1333(4) -0.2801(4) 0.4154(4) 0.0292(11) Uani 1 1 d .
N3 N -0.4579(7) -0.5845(7) 0.2930(7) 0.072(3) Uani 1 1 d .
H3B H -0.4509 -0.6372 0.3151 0.086 Uiso 1 1 calc R
Mo4 Mo 0.03699(6) 0.31463(5) 1.10259(5) 0.02730(15) Uani 1 1 d .
C4 C -0.0808(6) -0.1176(6) 0.3575(5) 0.0225(14) Uani 1 1 d .
O4W O -0.0397(5) 0.3708(5) 0.5788(4) 0.0482(15) Uani 1 1 d .
O4 O 0.0153(5) 0.1729(4) 1.0414(5) 0.0470(15) Uani 1 1 d .
Mo5 Mo 0.54711(6) 0.91997(6) 1.69491(5) 0.03155(16) Uani 1 1 d .
C5 C -0.0871(5) -0.0121(6) 0.3937(5) 0.0221(14) Uani 1 1 d .
O5 O 0.1838(4) 0.7001(4) 1.2547(4) 0.0400(14) Uani 1 1 d .
O5W O -0.0726(5) -0.0224(5) 1.1156(4) 0.0429(14) Uani 1 1 d .
Mo6 Mo 0.33359(5) 0.79430(5) 1.27768(5) 0.03080(16) Uani 1 1 d .
C6 C -0.1774(6) 0.0034(6) 0.4513(5) 0.0237(15) Uani 1 1 d .
O6 O 0.3664(5) 0.7521(5) 1.1660(4) 0.0419(14) Uani 1 1 d .
C7 C -0.1675(6) -0.2340(6) 0.3608(5) 0.0235(15) Uani 1 1 d .
O7 O 0.0804(5) 0.3398(6) 1.2257(4) 0.0497(15) Uani 1 1 d .
C8 C -0.3721(6) -0.3955(6) 0.2796(5) 0.0224(14) Uani 1 1 d .
O8 O 0.0047(4) 0.3514(4) 0.9545(3) 0.0205(10) Uani 1 1 d .
C9 C -0.3592(6) -0.4809(6) 0.3130(6) 0.0320(17) Uani 1 1 d .
H9A H -0.2838 -0.4677 0.3489 0.038 Uiso 1 1 calc R
O9 O -0.1749(5) 0.7460(4) 1.1053(4) 0.0392(13) Uani 1 1 d .
C10 C -0.5689(7) -0.6053(7) 0.2373(6) 0.042(2) Uani 1 1 d .
H10A H -0.6363 -0.6765 0.2229 0.050 Uiso 1 1 calc R
O10 O -0.1931(4) 0.5986(4) 0.9157(4) 0.0306(11) Uani 1 1 d .
O11 O 0.4838(4) 1.0403(4) 1.6347(4) 0.0274(11) Uani 1 1 d .
C11 C -0.5786(5) -0.5237(5) 0.2049(5) 0.0184(13) Uani 1 1 d .
H11A H -0.6538 -0.5385 0.1672 0.022 Uiso 1 1 calc R
O12 O 0.3488(4) 0.8654(4) 1.4449(4) 0.0252(11) Uani 1 1 d .
C12 C -0.4856(6) -0.4214(6) 0.2238(5) 0.0277(16) Uani 1 1 d .
H12A H -0.4965 -0.3660 0.1992 0.033 Uiso 1 1 calc R
O13 O 0.5597(4) 0.8971(4) 1.5337(3) 0.0232(10) Uani 1 1 d .
O14 O 0.6865(4) 1.0691(4) 1.7244(4) 0.0346(12) Uani 1 1 d .
O15 O 0.4994(5) 0.9518(5) 1.7995(4) 0.0476(15) Uani 1 1 d .
O16 O 0.6284(5) 0.8440(5) 1.7128(5) 0.0449(14) Uani 1 1 d .
O17 O 0.3955(4) 0.7943(4) 1.6057(4) 0.0315(12) Uani 1 1 d .
O18 O -0.3557(5) 0.5242(5) 1.0180(4) 0.0445(14) Uani 1 1 d .
O19 O 0.2497(4) 0.6142(4) 1.4343(4) 0.0412(14) Uani 1 1 d .
O20 O -0.1692(4) 0.4347(4) 0.9932(3) 0.0211(10) Uani 1 1 d .
O21 O -0.1299(4) 0.4261(4) 1.2687(4) 0.0342(12) Uani 1 1 d .
O22 O 0.4813(5) 0.6438(4) 1.4885(5) 0.0449(15) Uani 1 1 d .
O23 O -0.1565(4) 0.5657(4) 1.1636(3) 0.0256(11) Uani 1 1 d .
O24 O -0.1317(4) 0.2821(4) 1.0850(4) 0.0318(12) Uani 1 1 d .
O25 O 0.4170(4) 0.7235(4) 1.3419(4) 0.0327(12) Uani 1 1 d .
O26 O 0.0232(4) 0.4880(4) 1.1282(3) 0.0217(10) Uani 1 1 d .
O27 O -0.3244(4) 0.3303(4) 1.1087(4) 0.0372(13) 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'
Al Al 0.0645 0.0514 '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
O27 Mo1 O21 105.8(2) . .
O27 Mo1 O24 97.9(2) . .
O21 Mo1 O24 100.3(2) . .
O27 Mo1 O23 101.2(2) . .
O21 Mo1 O23 98.4(2) . .
O24 Mo1 O23 148.4(2) . .
O27 Mo1 O20 91.9(2) . .
O21 Mo1 O20 161.5(2) . .
O24 Mo1 O20 82.37(18) . .
O23 Mo1 O20 72.11(17) . .
O27 Mo1 O26 157.1(2) . .
O21 Mo1 O26 96.0(2) . .
O24 Mo1 O26 70.77(18) . .
O23 Mo1 O26 82.17(17) . .
O20 Mo1 O26 67.40(15) . .
O2W Co1 O4W 96.7(2) . .
O2W Co1 O1 167.4(2) . .
O4W Co1 O1 92.7(2) . .
O2W Co1 N1 95.7(2) . .
O4W Co1 N1 162.9(2) . .
O1 Co1 N1 76.99(18) . .
O2W Co1 O3 84.4(2) . 2_556
O4W Co1 O3 83.1(2) . 2_556
O1 Co1 O3 105.14(19) . 2_556
N1 Co1 O3 86.44(19) . 2_556
O2W Co1 O3W 87.3(2) . .
O4W Co1 O3W 89.0(2) . .
O1 Co1 O3W 84.50(19) . .
N1 Co1 O3W 103.4(2) . .
O3 Co1 O3W 167.71(18) 2_556 .
C1 N1 C5 119.0(6) . .
C1 N1 Co1 126.0(4) . .
C5 N1 Co1 114.5(4) . .
C6 O1 Co1 118.1(4) . .
N1 C1 C2 121.4(6) . .
O8 Al1 O8 179.998(2) 2_567 .
O8 Al1 O26 94.61(19) 2_567 .
O8 Al1 O26 85.38(19) . .
O8 Al1 O26 85.39(19) 2_567 2_567
O8 Al1 O26 94.62(19) . 2_567
O26 Al1 O26 179.999(2) . 2_567
O8 Al1 O20 85.33(18) 2_567 .
O8 Al1 O20 94.67(18) . .
O26 Al1 O20 85.37(18) . .
O26 Al1 O20 94.64(18) 2_567 .
O8 Al1 O20 94.67(18) 2_567 2_567
O8 Al1 O20 85.33(18) . 2_567
O26 Al1 O20 94.63(18) . 2_567
O26 Al1 O20 85.37(18) 2_567 2_567
O20 Al1 O20 179.999(1) . 2_567
O18 Mo2 O9 105.6(3) . .
O18 Mo2 O23 101.5(2) . .
O9 Mo2 O23 100.3(2) . .
O18 Mo2 O10 96.0(2) . .
O9 Mo2 O10 99.4(2) . .
O23 Mo2 O10 148.96(18) . .
O18 Mo2 O20 94.7(2) . .
O9 Mo2 O20 159.6(2) . .
O23 Mo2 O20 72.97(17) . .
O10 Mo2 O20 80.29(18) . .
O18 Mo2 O8 159.9(2) . 2_567
O9 Mo2 O8 92.5(2) . 2_567
O23 Mo2 O8 83.55(17) . 2_567
O10 Mo2 O8 71.80(17) . 2_567
O20 Mo2 O8 67.87(14) . 2_567
O5W Co2 O5W 180.000(2) . 2_557
O5W Co2 O4 89.7(2) . 2_557
O5W Co2 O4 90.3(2) 2_557 2_557
O5W Co2 O4 90.3(2) . .
O5W Co2 O4 89.7(2) 2_557 .
O4 Co2 O4 180.0(3) 2_557 .
O5W Co2 O1W 91.8(2) . .
O5W Co2 O1W 88.2(2) 2_557 .
O4 Co2 O1W 90.3(2) 2_557 .
O4 Co2 O1W 89.7(2) . .
O5W Co2 O1W 88.2(2) . 2_557
O5W Co2 O1W 91.8(2) 2_557 2_557
O4 Co2 O1W 89.7(2) 2_557 2_557
O4 Co2 O1W 90.3(2) . 2_557
O1W Co2 O1W 179.999(1) . 2_557
C3 C2 C1 119.2(6) . .
C7 N2 C8 126.5(6) . .
O12 Al2 O12 179.999(1) 2_678 .
O12 Al2 O13 85.50(19) 2_678 2_678
O12 Al2 O13 94.50(19) . 2_678
O12 Al2 O13 94.50(19) 2_678 .
O12 Al2 O13 85.50(19) . .
O13 Al2 O13 179.999(4) 2_678 .
O12 Al2 O11 95.04(19) 2_678 2_678
O12 Al2 O11 84.96(19) . 2_678
O13 Al2 O11 84.88(19) 2_678 2_678
O13 Al2 O11 95.11(19) . 2_678
O12 Al2 O11 84.96(19) 2_678 .
O12 Al2 O11 95.04(19) . .
O13 Al2 O11 95.12(19) 2_678 .
O13 Al2 O11 84.89(19) . .
O11 Al2 O11 180.000(3) 2_678 .
O19 Mo3 O22 104.9(3) . .
O19 Mo3 O25 100.0(2) . .
O22 Mo3 O25 98.7(3) . .
O19 Mo3 O17 95.0(2) . .
O22 Mo3 O17 101.3(3) . .
O25 Mo3 O17 150.9(2) . .
O19 Mo3 O13 160.1(2) . .
O22 Mo3 O13 93.1(2) . .
O25 Mo3 O13 85.38(18) . .
O17 Mo3 O13 72.76(17) . .
O19 Mo3 O12 94.9(2) . .
O22 Mo3 O12 159.5(2) . .
O25 Mo3 O12 72.38(18) . .
O17 Mo3 O12 81.69(19) . .
O13 Mo3 O12 68.22(16) . .
C2 C3 C4 119.2(6) . .
C7 O3 Co1 140.6(4) . 2_556
C9 N3 C10 120.3(7) . .
O7 Mo4 O4 106.1(3) . .
O7 Mo4 O24 100.8(2) . .
O4 Mo4 O24 97.1(2) . .
O7 Mo4 O10 99.1(2) . 2_567
O4 Mo4 O10 99.8(2) . 2_567
O24 Mo4 O10 149.1(2) . 2_567
O7 Mo4 O26 93.9(2) . .
O4 Mo4 O26 159.0(2) . .
O24 Mo4 O26 72.21(17) . .
O10 Mo4 O26 83.14(18) 2_567 .
O7 Mo4 O8 160.0(2) . .
O4 Mo4 O8 93.1(2) . .
O24 Mo4 O8 81.90(18) . .
O10 Mo4 O8 71.60(18) 2_567 .
O26 Mo4 O8 67.91(15) . .
C5 C4 C3 118.1(6) . .
C5 C4 C7 125.2(6) . .
C3 C4 C7 116.7(6) . .
Mo4 O4 Co2 166.8(4) . .
O16 Mo5 O15 105.8(3) . .
O16 Mo5 O17 101.7(2) . .
O15 Mo5 O17 98.3(2) . .
O16 Mo5 O14 95.5(2) . .
O15 Mo5 O14 100.4(2) . .
O17 Mo5 O14 150.0(2) . .
O16 Mo5 O13 94.2(2) . .
O15 Mo5 O13 159.4(2) . .
O17 Mo5 O13 72.31(18) . .
O14 Mo5 O13 82.13(19) . .
O16 Mo5 O11 159.0(2) . .
O15 Mo5 O11 93.1(2) . .
O17 Mo5 O11 84.29(18) . .
O14 Mo5 O11 71.46(19) . .
O13 Mo5 O11 68.14(16) . .
N1 C5 C4 123.1(6) . .
N1 C5 C6 114.1(6) . .
C4 C5 C6 122.7(6) . .
O6 Mo6 O5 104.3(3) . .
O6 Mo6 O14 100.8(2) . 2_678
O5 Mo6 O14 98.3(2) . 2_678
O6 Mo6 O25 95.7(2) . .
O5 Mo6 O25 102.8(2) . .
O14 Mo6 O25 149.1(2) 2_678 .
O6 Mo6 O12 163.1(2) . .
O5 Mo6 O12 90.4(2) . .
O14 Mo6 O12 84.9(2) 2_678 .
O25 Mo6 O12 72.64(18) . .
O6 Mo6 O11 98.5(2) . 2_678
O5 Mo6 O11 156.5(2) . 2_678
O14 Mo6 O11 71.69(19) 2_678 2_678
O25 Mo6 O11 80.18(19) . 2_678
O12 Mo6 O11 67.99(16) . 2_678
O2 C6 O1 125.9(6) . .
O2 C6 C5 118.2(6) . .
O1 C6 C5 115.8(5) . .
O3 C7 N2 124.2(6) . .
O3 C7 C4 120.5(6) . .
N2 C7 C4 115.2(6) . .
C9 C8 C12 117.8(6) . .
C9 C8 N2 125.2(6) . .
C12 C8 N2 117.0(6) . .
Al1 O8 Mo2 103.65(17) . 2_567
Al1 O8 Mo4 102.04(18) . .
Mo2 O8 Mo4 92.12(15) 2_567 .
N3 C9 C8 119.4(7) . .
C11 C10 N3 119.3(7) . .
Mo4 O10 Mo2 119.0(2) 2_567 .
Al2 O11 Mo5 102.78(19) . .
Al2 O11 Mo6 102.16(18) . 2_678
Mo5 O11 Mo6 92.10(17) . 2_678
C10 C11 C12 122.4(6) . .
Al2 O12 Mo6 104.9(2) . .
Al2 O12 Mo3 102.42(19) . .
Mo6 O12 Mo3 91.31(15) . .
C11 C12 C8 120.8(7) . .
Al2 O13 Mo3 103.77(19) . .
Al2 O13 Mo5 104.15(18) . .
Mo3 O13 Mo5 92.64(16) . .
Mo6 O14 Mo5 120.8(2) 2_678 .
Mo5 O17 Mo3 116.9(2) . .
Al1 O20 Mo2 103.14(18) . .
Al1 O20 Mo1 103.32(18) . .
Mo2 O20 Mo1 90.62(16) . .
Mo2 O23 Mo1 119.0(2) . .
Mo1 O24 Mo4 118.8(2) . .
Mo3 O25 Mo6 118.0(2) . .
Al1 O26 Mo4 104.6(2) . .
Al1 O26 Mo1 103.91(18) . .
Mo4 O26 Mo1 92.29(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O27 1.684(5) .
Mo1 O21 1.707(5) .
Mo1 O24 1.915(5) .
Mo1 O23 1.920(4) .
Mo1 O20 2.327(4) .
Mo1 O26 2.329(4) .
Co1 O2W 2.021(5) .
Co1 O4W 2.026(5) .
Co1 O1 2.078(4) .
Co1 N1 2.135(5) .
Co1 O3 2.193(5) 2_556
Co1 O3W 2.235(5) .
N1 C1 1.325(8) .
N1 C5 1.342(8) .
O1W Co2 2.115(6) .
O1 C6 1.274(8) .
C1 C2 1.395(10) .
Al1 O8 1.888(4) 2_567
Al1 O8 1.888(4) .
Al1 O26 1.895(4) .
Al1 O26 1.895(4) 2_567
Al1 O20 1.916(4) .
Al1 O20 1.916(4) 2_567
Mo2 O18 1.682(5) .
Mo2 O9 1.713(5) .
Mo2 O23 1.901(5) .
Mo2 O10 1.950(5) .
Mo2 O20 2.304(4) .
Mo2 O8 2.315(4) 2_567
Co2 O5W 2.041(5) .
Co2 O5W 2.041(5) 2_557
Co2 O4 2.088(5) 2_557
Co2 O4 2.088(5) .
Co2 O1W 2.115(6) 2_557
C2 C3 1.366(10) .
O2 C6 1.233(7) .
N2 C7 1.347(8) .
N2 C8 1.403(8) .
Al2 O12 1.889(4) 2_678
Al2 O12 1.889(4) .
Al2 O13 1.890(4) 2_678
Al2 O13 1.890(4) .
Al2 O11 1.930(5) 2_678
Al2 O11 1.930(5) .
Mo3 O19 1.705(5) .
Mo3 O22 1.709(5) .
Mo3 O25 1.913(5) .
Mo3 O17 1.948(5) .
Mo3 O13 2.268(4) .
Mo3 O12 2.306(4) .
C3 C4 1.396(9) .
O3 C7 1.234(8) .
O3 Co1 2.193(5) 2_556
N3 C9 1.360(10) .
N3 C10 1.377(10) .
Mo4 O7 1.687(6) .
Mo4 O4 1.708(5) .
Mo4 O24 1.929(5) .
Mo4 O10 1.935(5) 2_567
Mo4 O26 2.257(4) .
Mo4 O8 2.334(4) .
C4 C5 1.363(9) .
C4 C7 1.514(9) .
Mo5 O16 1.691(5) .
Mo5 O15 1.698(5) .
Mo5 O17 1.930(5) .
Mo5 O14 1.939(5) .
Mo5 O13 2.301(5) .
Mo5 O11 2.302(5) .
C5 C6 1.519(8) .
O5 Mo6 1.717(5) .
Mo6 O6 1.710(5) .
Mo6 O14 1.893(5) 2_678
Mo6 O25 1.921(5) .
Mo6 O12 2.289(5) .
Mo6 O11 2.325(4) 2_678
C8 C9 1.379(9) .
C8 C12 1.383(9) .
O8 Mo2 2.315(4) 2_567
C10 C11 1.311(10) .
O10 Mo4 1.935(5) 2_567
O11 Mo6 2.325(4) 2_678
C11 C12 1.319(9) .
O14 Mo6 1.892(5) 2_678
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 0.500 1.000 1.000 213 82 ' '
2 0.333 0.400 0.417 7 8 ' '
3 0.667 0.600 0.583 7 8 ' '
