Synthesis, structural characterization and properties of a series of heteropolyoxomolybdates: [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>, [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>, [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.
Kuzman, D.; Damjanović, V; Toplak, J.; Medak, G.; Halasz, I.; Hrenar, T.; Cindrić, M; Vrdoljak, V.; Dalton transactions (Cambridge, England : 2003) 55 (2026) 3442–3453; doi:10.1039/d5dt03064a

data_7720102
_publ_section_title
;
 Synthesis, structural characterization and properties of a series of
 heteropolyoxomolybdates:
 [AlMo<sub>6</sub>(OH)<sub>6</sub>O<sub>18</sub>]<sup>3-</sup>,
 [GeMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>,
 [GeMo<sub>6</sub>O<sub>22</sub>(Hmal)<sub>3</sub>]<sup>7-</sup>,
 [SiMo<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, and
 [TeMo<sub>6</sub>O<sub>24</sub>]<sup>6</sup>.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3442
_journal_page_last               3453
_journal_paper_doi               10.1039/d5dt03064a
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'Co H18 N6, C6 H8 Al O10, 2(N O3), H2 O'
_chemical_formula_sum            'C6 H28 Al Co N8 O17'
_chemical_formula_weight         570.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2025-06-17
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-12-10 deposited with the CCDC.	2026-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.6221(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.00218(5)
_cell_length_b                   21.64748(14)
_cell_length_c                   13.63824(10)
_cell_measurement_reflns_used    25088
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      79.5470
_cell_measurement_theta_min      4.0780
_cell_volume                     2043.92(3)
_computing_cell_refinement       'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 43.105a 64-bit (release 11-01-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     78.00 111.00   0.50    0.40    --  113.25-125.00-180.00   66
  2  \w     36.00  93.00   0.50    0.10    --   47.74-125.00  30.00  114
  3  \w     79.00 111.00   0.50    0.40    --  113.25-125.00  60.00   64
  4  \w     86.00 111.00   0.50    0.40    --  113.25-125.00 120.00   50
  5  \w     54.00 110.00   0.50    0.40    --  113.25-125.00 150.00  112
  6  \w     48.00  73.00   0.50    0.40    --  113.25-125.00 120.00   50
  7  \w     45.00  75.00   0.50    0.40    --  113.25-125.00  60.00   60
  8  \w     45.00 104.00   0.50    0.40    --  113.25-125.00  30.00  118
  9  \w     71.00 108.00   0.50    0.40    --  113.25-110.00 -46.00   74
 10  \w     81.00 106.00   0.50    0.40    --  113.25 -95.00  30.00   50
 11  \w     42.00  68.00   0.50    0.40    --  113.25 -95.00  30.00   52
 12  \w     24.00  84.00   0.50    0.10    --   47.74-110.00 -46.00  120
 13  \w     46.00  72.00   0.50    0.40    --  113.25-125.00-180.00   52
 14  \w     44.00  73.00   0.50    0.40    --  113.25 -95.00-150.00   58
 15  \w     74.00 106.00   0.50    0.40    --  113.25 -95.00-180.00   64
 16  \w     80.00 106.00   0.50    0.40    --  113.25 -95.00-150.00   52
 17  \w     42.00  67.00   0.50    0.40    --  113.25 -95.00-180.00   50
 18  \w     42.00 102.00   0.50    0.40    --  113.25 -95.00 -90.00  120
 19  \w     76.00 105.00   0.50    0.40    --  113.25 -95.00 -60.00   58
 20  \w     42.00  94.00   0.50    0.40    --  113.25 -95.00 150.00  104
 21  \w    -23.00  43.00   0.50    0.10    --   47.74 -38.00 -60.00  132
 22  \w     42.00  95.00   0.50    0.40    --  113.25 -77.00-150.00  106
 23  \w     42.00  75.00   0.50    0.40    --  113.25 -77.00 -60.00   66
 24  \w     42.00  77.00   0.50    0.40    --  113.25 -77.00  30.00   70
 25  \w     45.00  71.00   0.50    0.40    --  113.25 -61.00  60.00   52
 26  \w     46.00  71.00   0.50    0.40    --  113.25 -61.00 150.00   50
 27  \w    152.00 177.00   0.50    0.40    --  113.25 125.00   0.00   50
 28  \w    121.00 167.00   0.50    0.40    --  113.25 110.00  48.00   92
 29  \w     97.00 122.00   0.50    0.40    --  113.25 125.00   0.00   50
 30  \w    -14.00  13.00   0.50    0.10    --   18.00 100.00 -84.69   54
 31  \w     -8.00  18.00   0.50    0.10    --   22.00  94.00 129.15   52
 32  \w     97.00 132.00   0.50    0.40    --  113.25  77.00   0.00   70
 33  \w    139.00 176.00   0.50    0.40    --  113.25  77.00 -30.00   74
 34  \w    136.00 178.00   0.50    0.40    --  113.25  77.00-180.00   84
 35  \w    144.00 171.00   0.50    0.40    --  113.25  77.00-150.00   54
 36  \w     99.00 139.00   0.50    0.40    --  113.25  77.00-150.00   80
 37  \w     91.00 126.00   0.50    0.40    --  113.25  77.00-180.00   70
 38  \w    125.00 175.00   0.50    0.40    --  113.25  77.00 -90.00  100
 39  \w    101.00 146.00   0.50    0.40    --  113.25  77.00-120.00   90
 40  \w     91.00 117.00   0.50    0.40    --  113.25  77.00 -90.00   52
 41  \w     91.00 117.00   0.50    0.40    --  113.25  77.00 -60.00   52
 42  \w     97.00 130.00   0.50    0.40    --  113.25  77.00 -30.00   66
 43  \w    127.00 161.00   0.50    0.40    --  113.25  77.00 -60.00   68
 44  \w     94.00 164.00   0.50    0.40    --  113.25  77.00  30.00  140
 45  \w    138.00 175.00   0.50    0.40    --  113.25  77.00   0.00   74
 46  \w     93.00 173.00   0.50    0.40    --  113.25  77.00  60.00  160
 47  \w    101.00 173.00   0.50    0.40    --  113.25  77.00  90.00  144
 48  \w    140.00 176.00   0.50    0.40    --  113.25  77.00 120.00   72
 49  \w     93.00 124.00   0.50    0.40    --  113.25  77.00 120.00   62
 50  \w     94.00 120.00   0.50    0.40    --  113.25  77.00 150.00   52
 51  \w     43.00  69.00   0.50    0.10    --   62.00  67.00 120.62   52
 52  \w     40.00  66.00   0.50    0.10    --   58.00  66.00   5.47   52
 53  \w     41.00  67.00   0.50    0.10    --   58.00  66.00-149.63   52
 54  \w     44.00  70.00   0.50    0.10    --   58.00  64.00 -41.39   52
 55  \w     88.00 114.00   0.50    0.10    --   58.00  66.00   5.47   52
 56  \w     45.00  70.00   0.50    0.10    --   62.00  64.00  67.91   50
 57  \w     38.00  64.00   0.50    0.10    --   54.00  64.00 106.39   52
 58  \w     90.00 126.00   0.50    0.10    --   62.00  64.00  67.91   72
 59  \w    134.00 169.00   0.50    0.40    --  113.25  61.00 150.00   70
 60  \w    135.00 160.00   0.50    0.40    --  113.25  61.00 120.00   50
 61  \w    100.00 129.00   0.50    0.40    --  113.25  61.00 120.00   58
 62  \w    102.00 137.00   0.50    0.40    --  113.25  61.00  90.00   70
 63  \w    109.00 152.00   0.50    0.40    --  113.25  61.00  30.00   86
 64  \w     97.00 127.00   0.50    0.40    --  113.25  61.00 -30.00   60
 65  \w    105.00 146.00   0.50    0.40    --  113.25  61.00   0.00   82
 66  \w    101.00 146.00   0.50    0.40    --  113.25  61.00  60.00   90
 67  \w    102.00 127.00   0.50    0.40    --  113.25  61.00 150.00   50
 68  \w    102.00 175.00   0.50    0.40    --  113.25  61.00-120.00  146
 69  \w     97.00 160.00   0.50    0.40    --  113.25  61.00-180.00  126
 70  \w     97.00 158.00   0.50    0.40    --  113.25  61.00-150.00  122
 71  \w    140.00 166.00   0.50    0.40    --  113.25  15.00-150.00   52
 72  \w    100.00 126.00   0.50    0.40    --  113.25  15.00-150.00   52
 73  \w     99.00 154.00   0.50    0.40    --  113.25  61.00 -90.00  110
 74  \w    152.00 177.00   0.50    0.40    --  113.25  30.00 -30.00   50
 75  \w    106.00 139.00   0.50    0.40    --  113.25  30.00 -30.00   66
 76  \w     41.00  81.00   0.50    0.10    --   47.74  38.00  30.00   80
 77  \w     12.00  37.00   0.50    0.10    --   34.00  75.00  63.58   50
 78  \w     19.00  44.00   0.50    0.10    --   38.00  72.00  82.08   50
 79  \w     20.00  46.00   0.50    0.10    --   38.00  69.00 171.67   52
 80  \w     17.00  42.00   0.50    0.10    --   38.00  73.00 -92.72   50
 81  \w     12.00  37.00   0.50    0.10    --   34.00  75.00-127.68   50
 82  \w      6.00  31.00   0.50    0.10    --   30.00  80.00-129.69   50
 83  \w     33.00  59.00   0.50    0.10    --   50.00  66.00-166.13   52
 84  \w     89.00 117.00   0.50    0.10    --   50.00  66.00-166.13   56
 85  \w     85.00 119.00   0.50    0.10    --   50.00  65.00-115.88   68
 86  \w     38.00  63.00   0.50    0.10    --   50.00  65.00-115.88   50
 87  \w     31.00  57.00   0.50    0.10    --   47.74  65.00 -55.86   52
 88  \w     92.00 118.00   0.50    0.10    --   46.00  66.00 -16.66   52
 89  \w     78.00 104.00   0.50    0.10    --   47.74  65.00 -55.86   52
 90  \w     28.00  60.00   0.50    0.10    --   46.00  66.00 -16.66   64
 91  \w    -81.00  -3.00   0.50    0.10    --  -47.74 110.00  48.00  156
 92  \w    -76.00 -51.00   0.50    0.40    --  -91.75 110.00  48.00   50
 93  \w    -68.00 -37.00   0.50    0.10    --  -47.74 -19.00 -90.00   62
 94  \w   -103.00 -74.00   0.50    0.40    --  -91.75 -67.00-152.51   58
 95  \w    -98.00 -73.00   0.50    0.40    --  -91.75 -67.00 -20.67   50
 96  \w    -98.00 -73.00   0.50    0.40    --  -91.75 -67.00   8.14   50
 97  \w   -155.00-126.00   0.50    0.40    --  -91.75 -67.00 -20.67   58
 98  \w   -150.00-124.00   0.50    0.40    --  -86.00 -66.00-114.03   52
 99  \w    -93.00 -68.00   0.50    0.40    --  -86.00 -66.00-114.03   50
100  \w    -94.00 -68.00   0.50    0.40    --  -86.00 -66.00 -55.40   52
101  \w    -73.00 -48.00   0.50    0.10    --  -66.00 -66.00   5.61   50
102  \w    -82.00 -53.00   0.50    0.10    --  -70.00 -67.00 129.94   58
103  \w    -98.00 -73.00   0.50    0.40    --  -91.75 -67.00 164.76   50
104  \w    -81.00 -56.00   0.50    0.10    --  -74.00 -66.00  68.00   50
105  \w   -162.00-129.00   0.50    0.40    --  -91.75 -67.00   8.14   66
106  \w    -73.00 -48.00   0.50    0.10    --  -66.00 -66.00-122.49   50
107  \w    -79.00 -53.00   0.50    0.10    --  -70.00 -66.00-133.39   52
108  \w    -78.00 -53.00   0.50    0.10    --  -70.00 -66.00 -56.00   50
109  \w   -108.00 -72.00   0.50    0.40    --  -90.00 -65.00  83.95   72
110  \w   -101.00 -74.00   0.50    0.40    --  -91.75 -65.00 100.69   54
111  \w    -90.00 -64.00   0.50    0.40    --  -82.00 -66.00 176.92   52
112  \w   -108.00 -73.00   0.50    0.40    --  -90.00 -65.00 135.03   70
113  \w    -94.00 -68.00   0.50    0.40    --  -86.00 -64.00 106.24   52
114  \w   -110.00 -74.00   0.50    0.40    --  -91.75 -64.00  57.23   72
115  \w    -99.00 -74.00   0.50    0.40    --  -91.75 -64.00  42.31   50
116  \w    -98.00 -72.00   0.50    0.40    --  -90.00 -64.00  23.66   52
117  \w   -163.00-104.00   0.50    0.40    --  -91.75 -64.00  42.31  118
118  \w   -100.00 -74.00   0.50    0.40    --  -91.75 -64.00 146.49   52
119  \w    -98.00 -72.00   0.50    0.40    --  -90.00 -65.00 -75.37   52
120  \w    -99.00 -74.00   0.50    0.40    --  -91.75 -64.00 -67.19   50
121  \w    -94.00 -68.00   0.50    0.40    --  -86.00 -64.00-104.98   52
122  \w    -97.00 -71.00   0.50    0.40    --  -86.00 -63.00-148.58   52
123  \w    -99.00 -74.00   0.50    0.40    --  -91.75 -64.00-129.42   50
124  \w    -84.00 -58.00   0.50    0.10    --  -74.00 -62.00 -32.19   52
125  \w    -85.00 -53.00   0.50    0.10    --  -70.00 -62.00 -15.15   64
126  \w    -93.00 -67.00   0.50    0.40    --  -82.00 -61.00-143.76   52
127  \w    -80.00 -54.00   0.50    0.10    --  -70.00 -63.00  24.37   52
128  \w    -97.00 -65.00   0.50    0.40    --  -82.00 -61.00  54.67   64
129  \w   -110.00 -57.00   0.50    0.10    --  -74.00 -61.00 108.60  106
130  \w    -98.00 -73.00   0.50    0.40    --  -90.00 -61.00 179.32   50
131  \w    -85.00 -59.00   0.50    0.10    --  -74.00 -59.00 178.83   52
132  \w    -84.00 -58.00   0.50    0.10    --  -74.00 -60.00 138.40   52
133  \w    -94.00 -68.00   0.50    0.40    --  -82.00 -50.00 -73.55   52
134  \w   -122.00 -97.00   0.50    0.40    --  -91.75-110.00 -46.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0151123000
_diffrn_orient_matrix_UB_12      -0.0695573000
_diffrn_orient_matrix_UB_13      -0.0215171000
_diffrn_orient_matrix_UB_21      -0.2172541000
_diffrn_orient_matrix_UB_22      -0.0017037000
_diffrn_orient_matrix_UB_23      -0.0409524000
_diffrn_orient_matrix_UB_31      0.0455774000
_diffrn_orient_matrix_UB_32      0.0149901000
_diffrn_orient_matrix_UB_33      -0.1044664000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30650
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.953
_diffrn_reflns_theta_min         4.084
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.971
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.104a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.008
_refine_diff_density_max         0.207
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details
;
 Flack x determined using 1968 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0195(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4248
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0246
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0427P)^2^+1.3890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0635
_reflns_Friedel_coverage         0.917
_reflns_Friedel_fraction_full    0.963
_reflns_Friedel_fraction_max     0.912
_reflns_number_gt                4213
_reflns_number_total             4248
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_7365
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_original_cell_volume        2043.92(2)
_cod_database_code               7720102
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Co Mo C N O'
_shelx_estimated_absorpt_t_max   0.939
_shelx_estimated_absorpt_t_min   0.796
_olex2_refinement_description
;
1. Restrained distances
 O8-H17A
 2.05 with sigma of 0.01
 O2_$1-H17B
 2.181 with sigma of 0.01
 Co1_$2-O17
 3.976 with sigma of 0.01
2.a Free rotating group:
 O17(H17A,H17B)
2.b Rotating group:
 O10(H10A,H10B), O9(H9A,H9B)
2.c Secondary CH2 refined with riding coordinates:
 C5(H5D,H5E), C2(H2D,H2E)
2.d Idealised Me refined as rotating group:
 N3(H3A,H3B,H3C), N5(H5A,H5B,H5C), N4(H4A,H4B,H4C), N2(H2A,H2B,H2C), N1(H1A,
 H1B,H1C), N6(H6A,H6B,H6C)
;
_shelx_res_checksum              71324
_shelx_hkl_checksum              85574
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.112
_oxdiff_exptl_absorpt_empirical_full_min 0.592