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_7720101
_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         'Al H6 Mo6 O24, 3(C2 H12 Co N4 O4), 7(H2 O)'
_chemical_formula_sum            'C6 H56 Al Co3 Mo6 N12 O43'
_chemical_formula_weight         1764.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/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                 100.860(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.3274(8)
_cell_length_b                   10.0879(4)
_cell_length_c                   20.9583(9)
_cell_measurement_reflns_used    10273
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      77.1940
_cell_measurement_theta_min      4.0590
_cell_volume                     4636.0(3)
_computing_cell_refinement       'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 41.92a 64-bit (release 05-12-2020))'
_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 0.991
_diffrn_measured_fraction_theta_max 0.924
_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    -77.00 -10.00   0.50    0.80    --  -48.02  97.00-127.00  134
  2  \w     -5.00  21.00   0.50    0.80    --  -48.02  97.00-127.00   52
  3  \w     17.00  47.00   0.50    0.80    --   48.02 -97.00 125.00   60
  4  \w    -80.00 -44.00   0.50    3.00    --  -91.75  97.00-127.00   72
  5  \w   -149.00 -93.00   0.50    3.00    --  -91.75 -97.00 125.00  112
  6  \w     51.00  99.00   0.50    3.00    --  107.54 -97.00 125.00   96
  7  \w   -120.00 -74.00   0.50    0.80    --  -48.02-125.00 -90.00   92
  8  \w    -24.00  11.00   0.50    0.80    --  -48.02  19.00 -30.00   70
  9  \w   -120.00 -73.00   0.50    0.80    --  -48.02-125.00-150.00   94
 10  \w   -116.00 -89.00   0.50    0.80    --  -48.02-125.00 -60.00   54
 11  \w    -63.00 -19.00   0.50    3.00    --  -91.75  57.00-180.00   88
 12  \w    -57.00 -31.00   0.50    3.00    --  -91.75  57.00   0.00   52
 13  \w    -76.00 -23.00   0.50    3.00    --  -91.75 125.00 150.00  106
 14  \w   -160.00-100.00   0.50    3.00    --  -91.75 -99.00-180.00  120
 15  \w    -63.00 -29.00   0.50    3.00    --  -91.75  57.00  60.00   68
 16  \w     35.00  62.00   0.50    3.00    --  107.54 -57.00  30.00   54
 17  \w     35.00  60.00   0.50    3.00    --  107.54 -57.00-150.00   50
 18  \w     75.00 104.00   0.50    3.00    --  107.54-125.00-150.00   58
 19  \w     38.00  64.00   0.50    3.00    --  107.54 -57.00 -30.00   52
 20  \w     36.00  65.00   0.50    3.00    --  107.54 -57.00 150.00   58
 21  \w     35.00  66.00   0.50    3.00    --  107.54 -57.00 -90.00   62
 22  \w     48.00  74.00   0.50    3.00    --  107.54-125.00-150.00   52
 23  \w     95.00 138.00   0.50    3.00    --  107.54 125.00   0.00   86
 24  \w     35.00  65.00   0.50    3.00    --  107.54 -57.00  90.00   60
 25  \w     64.00  92.00   0.50    3.00    --  107.54 -99.00 -60.00   56
 26  \w     35.00  97.00   0.50    3.00    --  107.54 -77.00 -30.00  124
 27  \w    153.00 178.00   0.50    3.00    --  107.54 125.00   0.00   50
 28  \w    114.00 158.00   0.50    3.00    --  107.54  97.00-127.00   88
;
_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      -0.0196561000
_diffrn_orient_matrix_UB_12      -0.1430620000
_diffrn_orient_matrix_UB_13      0.0115153000
_diffrn_orient_matrix_UB_21      -0.0457579000
_diffrn_orient_matrix_UB_22      0.0037092000
_diffrn_orient_matrix_UB_23      -0.0649400000
_diffrn_orient_matrix_UB_31      0.0495754000
_diffrn_orient_matrix_UB_32      -0.0531544000
_diffrn_orient_matrix_UB_33      -0.0354016000
_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  0.0446
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16123
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.924
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.991
_diffrn_reflns_theta_min         4.032
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    22.411
_exptl_absorpt_correction_T_max  0.684
_exptl_absorpt_correction_T_min  0.221
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.104a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    2.524
_exptl_crystal_description       plate
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.456
_refine_diff_density_min         -1.359
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0387
_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^)+(0.0576P)^2^+31.7000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1036
_refine_ls_wR_factor_ref         0.1064
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4131
_reflns_number_total             4589
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_1909
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_database_code               7720101
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Co3 Mo6 Al C6 N12 O43 '
_cell_oxdiff_angle_alpha         89.958(2)
_cell_oxdiff_angle_beta          100.848(3)
_cell_oxdiff_angle_gamma         90.045(2)
_cell_oxdiff_length_a            22.3228(7)
_cell_oxdiff_length_b            10.0913(2)
_cell_oxdiff_length_c            20.9546(6)
_cell_oxdiff_measurement_reflns_used 10272
_cell_oxdiff_volume              4636.0(2)
_shelx_estimated_absorpt_t_max   0.553
_shelx_estimated_absorpt_t_min   0.213
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O20A) = Uanis(O20B)
3. Others
 Sof(O20B)=Sof(H20C)=Sof(H20D)=1-FVAR(1)
 Sof(O20A)=Sof(H20A)=Sof(H20B)=FVAR(1)
4.a Free rotating group:
 O21(H21A,H21B), O19(H19A,H19B), O20A(H20A,H20B), O20B(H20C,H20D)
4.b Ternary CH refined with riding coordinates:
 O11(H11), O12(H12), O4(H4)
4.c Idealised Me refined as rotating group:
 N3(H3A,H3B,H3C), N5(H5A,H5B,H5C), N4(H4A,H4B,H4C), N6(H6A,H6B,H6C), N1(H1A,
 H1B,H1C), N2(H2A,H2B,H2C)
;
_shelx_res_checksum              63968
_shelx_hkl_checksum              50257
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 2.048
_oxdiff_exptl_absorpt_empirical_full_min 0.457