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_7720107
_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         'Mo6 O24 Te, 6(C2 H12 Co N4 O4), 16(H2 O)'
_chemical_formula_sum            'C12 H104 Co6 Mo6 N24 O64 Te'
_chemical_formula_weight         2665.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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                72.528(3)
_cell_angle_beta                 70.557(4)
_cell_angle_gamma                72.466(5)
_cell_formula_units_Z            1
_cell_length_a                   11.2606(6)
_cell_length_b                   11.9994(6)
_cell_length_c                   16.4793(4)
_cell_measurement_reflns_used    12192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      78.4370
_cell_measurement_theta_min      2.9100
_cell_volume                     1952.02(16)
_computing_cell_refinement       'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 42.53a 64-bit (release 15-04-2022))'
_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_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.940
_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    -48.00  24.00   0.50    0.50    --  -48.10  43.00 120.00  144
  2  \w   -120.00 -54.00   0.50    0.50    --  -48.10 -43.00 -31.00  132
  3  \w    -19.00  48.00   0.50    0.50    --   48.10 -43.00 -31.00  134
  4  \w     45.00  87.00   0.50    0.50    --   48.10  43.00 120.00   84
  5  \w   -162.00-114.00   0.50    2.00    --  -91.75 -43.00 -31.00   96
  6  \w    -48.00 -22.00   0.50    2.00    --  -91.75  43.00 120.00   52
  7  \w    102.00 158.00   0.50    2.00    --  113.25  43.00 120.00  112
  8  \w   -119.00 -92.00   0.50    0.50    --  -48.10-125.00 -90.00   54
  9  \w   -112.00 -87.00   0.50    0.50    --  -48.10-125.00  90.00   50
 10  \w   -118.00 -93.00   0.50    0.50    --  -48.10 -77.00-150.00   50
 11  \w     46.00  95.00   0.50    0.50    --   48.10-125.00   0.00   98
 12  \w     94.00 120.00   0.50    0.50    --   48.10  77.00 -90.00   52
 13  \w     93.00 118.00   0.50    0.50    --   48.10  77.00   0.00   50
 14  \w      0.00  76.00   0.50    0.50    --   48.10 -99.00-120.00  152
 15  \w    -85.00 -35.00   0.50    2.00    --  -91.75 125.00-180.00  100
 16  \w     42.00  67.00   0.50    2.00    --  113.25-122.00-109.34   50
 17  \w    106.00 178.00   0.50    2.00    --  113.25  61.00 150.00  144
 18  \w     42.00  87.00   0.50    2.00    --  113.25 -77.00  60.00   90
 19  \w     66.00 111.00   0.50    2.00    --  113.25-125.00-150.00   90
 20  \w    130.00 173.00   0.50    2.00    --  113.25  15.00 -90.00   86
 21  \w     42.00  92.00   0.50    2.00    --  113.25 -95.00  60.00  100
 22  \w    102.00 131.00   0.50    2.00    --  113.25  45.00-180.00   58
 23  \w     43.00  87.00   0.50    2.00    --  113.25 -77.00 120.00   88
 24  \w     46.00  71.00   0.50    2.00    --  113.25 -61.00 -30.00   50
 25  \w     44.00  75.00   0.50    2.00    --  113.25 -77.00 -60.00   62
 26  \w     42.00 110.00   0.50    2.00    --  113.25-125.00 -30.00  136
 27  \w     53.00  78.00   0.50    2.00    --  113.25-125.00   0.00   50
 28  \w     82.00 109.00   0.50    2.00    --  113.25-125.00   0.00   54
 29  \w     54.00  88.00   0.50    2.00    --  113.25-155.00 -29.10   68
 30  \w     92.00 133.00   0.50    2.00    --  113.25-155.00 -29.10   82
 31  \w    107.00 176.00   0.50    2.00    --  113.25  45.00  90.00  138
 32  \w    101.00 131.00   0.50    2.00    --  113.25  45.00 -60.00   60
 33  \w     45.00 110.00   0.50    2.00    --  113.25-125.00 150.00  130
 34  \w    102.00 159.00   0.50    2.00    --  113.25  30.00  60.00  114
 35  \w     52.00 111.00   0.50    2.00    --  113.25-125.00  60.00  118
 36  \w     94.00 126.00   0.50    2.00    --  113.25  77.00 120.00   64
 37  \w    147.00 178.00   0.50    2.00    --  113.25  77.00 120.00   62
 38  \w     97.00 123.00   0.50    2.00    --  113.25  61.00  30.00   52
 39  \w     42.00  85.00   0.50    2.00    --  113.25 -77.00-120.00   86
 40  \w     42.00  69.00   0.50    2.00    --  113.25 -95.00-150.00   54
 41  \w     42.00  67.00   0.50    2.00    --  113.25 -61.00-180.00   50
 42  \w    129.00 158.00   0.50    2.00    --  113.25  61.00  30.00   58
 43  \w     72.00 110.00   0.50    2.00    --  113.25-125.00-180.00   76
 44  \w     44.00 111.00   0.50    2.00    --  113.25-125.00  30.00  134
 45  \w    138.00 177.00   0.50    2.00    --  113.25  45.00 -60.00   78
 46  \w     74.00 110.00   0.50    2.00    --  113.25-122.00-109.34   72
 47  \w     42.00 108.00   0.50    2.00    --  113.25-125.00 -90.00  132
 48  \w    101.00 127.00   0.50    2.00    --  113.25  61.00 -30.00   52
 49  \w    137.00 172.00   0.50    2.00    --  113.25  61.00 -30.00   70
 50  \w     86.00 111.00   0.50    2.00    --  113.25-125.00 120.00   50
 51  \w    145.00 174.00   0.50    2.00    --  113.25  45.00-180.00   58
 52  \w     71.00  96.00   0.50    2.00    --  113.25 -77.00 150.00   50
 53  \w     78.00 103.00   0.50    2.00    --  113.25 -95.00 -30.00   50
 54  \w    130.00 173.00   0.50    2.00    --  113.25  30.00-120.00   86
 55  \w     66.00 102.00   0.50    2.00    --  113.25 -95.00  30.00   72
;
_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      0.1444965000
_diffrn_orient_matrix_UB_12      0.0015727000
_diffrn_orient_matrix_UB_13      -0.0380948000
_diffrn_orient_matrix_UB_21      -0.0357724000
_diffrn_orient_matrix_UB_22      0.1355381000
_diffrn_orient_matrix_UB_23      -0.0393080000
_diffrn_orient_matrix_UB_31      0.0007472000
_diffrn_orient_matrix_UB_32      0.0264307000
_diffrn_orient_matrix_UB_33      0.0856933000
_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  0.0712
_diffrn_reflns_av_unetI/netI     0.0590
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28027
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         82.478
_diffrn_reflns_theta_min         6.453
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    21.374
_exptl_absorpt_correction_T_max  0.04234
_exptl_absorpt_correction_T_min  0.00136
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.104a (Rigaku Oxford Diffraction, 2023)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_description       needle
_exptl_crystal_F_000             1290
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_size_rad          0.400
_refine_diff_density_max         2.206
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         8179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0861
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1882P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2345
_refine_ls_wR_factor_ref         0.2477
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6287
_reflns_number_total             8179
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_6119
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_original_cell_volume        1952.02(17)
_cod_database_code               7720107
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Te Mo6 Co6 C12 N24 O60'
_chemical_oxdiff_usercomment     ' '
_shelx_estimated_absorpt_t_max   0.674
_shelx_estimated_absorpt_t_min   0.280
_diffrn_oxdiff_ac3_digest_hkl    41ea512ce53907b45b7ab9692d42b5a8b761de
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O32) = Uanis(O29)
Uanis(O25) = Uanis(O28)
Uanis(O33) = Uanis(O30)
2. Others
 Fixed Sof: O33(0.5) O32(0.5)
3.a Idealised Me refined as rotating group:
 N12(H12A,H12B,H12C), N6(H6A,H6B,H6C), N5(H5A,H5B,H5C), N8(H8A,H8B,H8C),
 N7(H7A,H7B,H7C), N9(H9A,H9B,H9C), N11(H11A,H11B,H11C), N1(H1A,H1B,H1C), N4(H4A,
 H4B,H4C), N10(H10A,H10B,H10C), N2(H2A,H2B,H2C), N3(H3A,H3B,H3C)
;
_shelx_res_checksum              39981
_shelx_hkl_checksum              65700
_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 4.869
_oxdiff_exptl_absorpt_empirical_full_min 0.471