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_7720106
_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
'2(C2 H12 Co N4 O4), C6 H8 Al O10, 2(H2 O), H C3 O4'
_chemical_formula_sum            'C13 H37 Al Co2 N8 O24'
_chemical_formula_weight         834.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/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                 98.004(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5399(9)
_cell_length_b                   6.9391(6)
_cell_length_c                   19.323(2)
_cell_measurement_reflns_used    2725
_cell_measurement_temperature    187.3(3)
_cell_measurement_theta_max      78.3420
_cell_measurement_theta_min      4.6310
_cell_volume                     1532.2(2)
_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      187.3(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.972
_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    -74.00  -4.00   0.50    2.00    --  -47.74 110.00 -51.00  140
  2  \w     23.00  79.00   0.50    2.00    --   47.74-110.00-147.00  112
  3  \w   -122.00 -89.00   0.50    8.00    --  -91.75-110.00-147.00   66
  4  \w    -56.00 -31.00   0.50    8.00    --  -91.75 110.00 -51.00   50
  5  \w     83.00 108.00   0.50    8.00    --  113.25-110.00-147.00   50
  6  \w    104.00 169.00   0.50    8.00    --  113.25 110.00 -51.00  130
  7  \w    -17.00  21.00   0.50    2.00    --  -47.74  57.00 120.00   76
  8  \w   -116.00 -88.00   0.50    2.00    --  -47.74 -77.00   0.00   56
  9  \w    -62.00 -23.00   0.50    2.00    --  -47.74  57.00 120.00   78
 10  \w     89.00 119.00   0.50    2.00    --   47.74  77.00-180.00   60
 11  \w    -27.00  -1.00   0.50    2.00    --   47.74 -19.00 -60.00   52
 12  \w    -22.00  21.00   0.50    2.00    --   47.74 -19.00 -30.00   86
 13  \w     94.00 120.00   0.50    2.00    --   47.74  77.00 -60.00   52
 14  \w     88.00 120.00   0.50    2.00    --   47.74  77.00 -90.00   64
 15  \w     92.00 120.00   0.50    2.00    --   47.74  77.00-120.00   56
 16  \w     45.00  87.00   0.50    2.00    --   47.74-125.00-180.00   84
 17  \w     34.00  93.00   0.50    2.00    --   47.74-125.00 120.00  118
 18  \w   -146.00 -85.00   0.50    8.00    --  -91.75 -30.00  90.00  122
 19  \w    103.00 138.00   0.50    8.00    --  113.25  61.00 -30.00   70
 20  \w     42.00  98.00   0.50    8.00    --  113.25 -95.00-120.00  112
 21  \w     64.00 111.00   0.50    8.00    --  113.25-125.00  90.00   94
 22  \w     82.00 111.00   0.50    8.00    --  113.25-125.00 150.00   58
 23  \w     45.00  70.00   0.50    8.00    --  113.25-125.00 150.00   50
 24  \w    123.00 174.00   0.50    8.00    --  113.25  45.00 -60.00  102
 25  \w     44.00  86.00   0.50    8.00    --  113.25 -77.00  60.00   84
 26  \w    100.00 178.00   0.50    8.00    --  113.25  15.00-120.00  156
 27  \w     86.00 111.00   0.50    8.00    --  113.25-125.00 120.00   50
 28  \w     52.00  78.00   0.50    8.00    --  113.25-125.00 120.00   52
 29  \w    134.00 178.00   0.50    8.00    --  113.25  30.00  90.00   88
 30  \w     43.00  69.00   0.50    8.00    --  113.25 -61.00-180.00   52
 31  \w     45.00  85.00   0.50    8.00    --  113.25-125.00   0.00   80
 32  \w     55.00  91.00   0.50    8.00    --  113.25 -95.00  30.00   72
 33  \w     48.00  74.00   0.50    8.00    --  113.25 -95.00 120.00   52
 34  \w     78.00 106.00   0.50    8.00    --  113.25 -95.00 120.00   56
 35  \w     50.00  97.00   0.50    8.00    --  113.25-125.00-150.00   94
 36  \w     64.00 111.00   0.50    8.00    --  113.25-125.00  30.00   94
 37  \w     43.00  70.00   0.50    8.00    --  113.25 -61.00 120.00   54
 38  \w     43.00  68.00   0.50    8.00    --  113.25 -61.00 -30.00   50
 39  \w    139.00 173.00   0.50    8.00    --  113.25  45.00   0.00   68
 40  \w     80.00 105.00   0.50    8.00    --  113.25 -77.00 150.00   50
 41  \w     46.00  72.00   0.50    8.00    --  113.25 -77.00 150.00   52
 42  \w    101.00 127.00   0.50    8.00    --  113.25  45.00   0.00   52
 43  \w    103.00 143.00   0.50    8.00    --  113.25  45.00  60.00   80
 44  \w    146.00 173.00   0.50    8.00    --  113.25  45.00  60.00   54
 45  \w     44.00  76.00   0.50    8.00    --  113.25-106.00 -57.55   64
 46  \w     83.00 108.00   0.50    8.00    --  113.25-106.00 -57.55   50
 47  \w    130.00 168.00   0.50    8.00    --  113.25  15.00 150.00   76
 48  \w     42.00  87.00   0.50    8.00    --  113.25 -77.00-120.00   90
 49  \w     43.00  71.00   0.50    8.00    --  113.25 -61.00 -90.00   56
 50  \w    109.00 174.00   0.50    8.00    --  113.25  45.00 -90.00  130
 51  \w     76.00 109.00   0.50    8.00    --  113.25-125.00 -90.00   66
 52  \w     68.00  93.00   0.50    8.00    --  113.25 -77.00 -30.00   50
 53  \w    130.00 163.00   0.50    8.00    --  113.25  77.00 150.00   66
 54  \w     46.00  71.00   0.50    8.00    --  113.25 -61.00  90.00   50
 55  \w     82.00 110.00   0.50    8.00    --  113.25-125.00 -30.00   56
 56  \w    116.00 172.00   0.50    8.00    --  113.25  45.00  30.00  112
 57  \w     61.00  86.00   0.50    8.00    --  113.25 -77.00 120.00   50
 58  \w     56.00 100.00   0.50    8.00    --  113.25 -95.00 -30.00   88
 59  \w    114.00 139.00   0.50    8.00    --  113.25  30.00 -90.00   50
 60  \w     43.00  70.00   0.50    8.00    --  113.25 -61.00   0.00   54
;
_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      0.0274240000
_diffrn_orient_matrix_UB_12      0.2153930000
_diffrn_orient_matrix_UB_13      0.0124679000
_diffrn_orient_matrix_UB_21      -0.0138832000
_diffrn_orient_matrix_UB_22      -0.0240843000
_diffrn_orient_matrix_UB_23      0.0777070000
_diffrn_orient_matrix_UB_31      0.1312749000
_diffrn_orient_matrix_UB_32      -0.0475988000
_diffrn_orient_matrix_UB_33      0.0171053000
_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  0.0971
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19815
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.157
_diffrn_reflns_theta_min         3.868
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.775
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.377
_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    1.806
_exptl_crystal_description       prism
_exptl_crystal_F_000             858
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.0124(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         3263
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0814
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1328P)^2^+7.1644P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2241
_refine_ls_wR_factor_ref         0.2396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2775
_reflns_number_total             3263
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_7137
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_original_cell_volume        1532.3(2)
_cod_database_code               7720106
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C14 Al Co2 N8 O28'
_shelx_estimated_absorpt_t_max   0.592
_shelx_estimated_absorpt_t_min   0.322
_diffrn_oxdiff_ac3_digest_hkl    4192160b4b89507c41f5c4b4a6101b2031af6a
_olex2_refinement_description
;
1. Restrained distances
 H12A-O8
 1.994 with sigma of 0.0001
 H12B-O10B_$1
 2.137 with sigma of 0.00001
 Al1-H9A \\sim Al1-H9B
 with sigma of 0.02
2. Others
 Fixed Sof: O11A(0.5) O11B(0.5) O10B(0.5) O10A(0.5) C7(0.5)
3.a Free rotating group:
 O9(H9A,H9B), O12(H12A,H12B)
3.b Secondary CH2 refined with riding coordinates:
 C4(H4D,H4E)
3.c Idealised Me refined as rotating group:
 N3(H3A,H3B,H3C), N2(H2A,H2B,H2C), N4(H4A,H4B,H4C), N1(H1A,H1B,H1C)
;
_shelx_res_checksum              92724
_shelx_hkl_checksum              34931
_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 2.756
_oxdiff_exptl_absorpt_empirical_full_min 0.487