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_7720108
_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         'C4 H40 Co2 Mo8 N8 Na2 O42, 4(H2 O)'
_chemical_formula_sum            'C4 H48 Co2 Mo8 N8 Na2 O46'
_chemical_formula_weight         1875.86
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2025-06-27
_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                 102.8930(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.03090(10)
_cell_length_b                   19.19200(10)
_cell_length_c                   11.10560(10)
_cell_measurement_reflns_used    58801
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      79.5640
_cell_measurement_theta_min      4.6070
_cell_volume                     2291.84(3)
_computing_cell_refinement       'CrysAlisPro 1.171.44.114a (Rigaku OD, 2025)'
_computing_data_collection
'CrysAlisPro system (CCD 44.114a 64-bit (release 13-06-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.114a (Rigaku OD, 2025)'
_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 0.989
_diffrn_measured_fraction_theta_max 0.986
_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     88.00 116.00   0.50    0.07    --   47.94  66.00 133.59   56
  2  \w     30.00  77.00   0.50    0.07    --   47.94  66.00 133.59   94
  3  \w     31.00  67.00   0.50    0.07    --   47.94  66.00  67.03   72
  4  \w     31.00  64.00   0.50    0.07    --   47.94  63.00 101.31   66
  5  \w     31.00  58.00   0.50    0.07    --   47.94  65.00  52.97   54
  6  \w     33.00  61.00   0.50    0.07    --   47.94  63.00  28.28   56
  7  \w     30.00  64.00   0.50    0.07    --   47.94  65.00  -3.93   68
  8  \w     31.00  72.00   0.50    0.07    --   47.94  64.00 -32.53   82
  9  \w     85.00 118.00   0.50    0.07    --   47.94  63.00  28.28   66
 10  \w     84.00 110.00   0.50    0.07    --   47.94  60.00 -64.52   52
 11  \w     32.00  87.00   0.50    0.07    --   47.94  61.00 -98.18  110
 12  \w     32.00  66.00   0.50    0.07    --   47.94  60.00 -64.52   68
 13  \w     34.00  67.00   0.50    0.07    --   47.94  62.00-118.73   66
 14  \w     33.00  58.00   0.50    0.07    --   47.94  61.00-140.67   50
 15  \w     33.00  61.00   0.50    0.07    --   47.94  57.00-150.00   56
 16  \w     34.00  60.00   0.50    0.07    --   47.94  57.00-180.00   52
 17  \w     85.00 111.00   0.50    0.07    --   47.94  57.00-180.00   52
 18  \w     94.00 119.00   0.50    0.07    --   47.94  57.00-150.00   50
 19  \w     33.00  63.00   0.50    0.07    --   47.94  57.00 -30.00   60
 20  \w     35.00  84.00   0.50    0.07    --   47.94  15.00 -61.00   98
 21  \w    119.00 157.00   0.50    0.28    --  113.25 125.00 -90.00   76
 22  \w     97.00 173.00   0.50    0.28    --  113.25 125.00-180.00  152
 23  \w    102.00 160.00   0.50    0.28    --  113.25 125.00 -30.00  116
 24  \w    110.00 166.00   0.50    0.28    --  113.25 125.00 -60.00  112
 25  \w    110.00 178.00   0.50    0.28    --  113.25 125.00   0.00  136
 26  \w    102.00 167.00   0.50    0.28    --  113.25 125.00  30.00  130
 27  \w     95.00 166.00   0.50    0.28    --  113.25 125.00  60.00  142
 28  \w    104.00 175.00   0.50    0.28    --  113.25 125.00  90.00  142
 29  \w    133.00 159.00   0.50    0.28    --  113.25  77.00  30.00   52
 30  \w    143.00 178.00   0.50    0.28    --  113.25  77.00  60.00   70
 31  \w     91.00 117.00   0.50    0.28    --  113.25  77.00  60.00   52
 32  \w     91.00 117.00   0.50    0.28    --  113.25  77.00  30.00   52
 33  \w    148.00 174.00   0.50    0.28    --  113.25  77.00-150.00   52
 34  \w    141.00 173.00   0.50    0.28    --  113.25  77.00-120.00   64
 35  \w     91.00 124.00   0.50    0.28    --  113.25  77.00-150.00   66
 36  \w     92.00 117.00   0.50    0.28    --  113.25  77.00-120.00   50
 37  \w     91.00 146.00   0.50    0.28    --  113.25  77.00   0.00  110
 38  \w    123.00 151.00   0.50    0.28    --  113.25  77.00 -60.00   56
 39  \w     91.00 118.00   0.50    0.28    --  113.25  77.00 -60.00   54
 40  \w     91.00 124.00   0.50    0.28    --  113.25  77.00  90.00   66
 41  \w    143.00 169.00   0.50    0.28    --  113.25  77.00  90.00   52
 42  \w    152.00 177.00   0.50    0.28    --  113.25  77.00 120.00   50
 43  \w    143.00 169.00   0.50    0.28    --  113.25  77.00 150.00   52
 44  \w     91.00 125.00   0.50    0.28    --  113.25  77.00 150.00   68
 45  \w     91.00 125.00   0.50    0.28    --  113.25  77.00 120.00   68
 46  \w     97.00 129.00   0.50    0.28    --  113.25  61.00 150.00   64
 47  \w     93.00 157.00   0.50    0.28    --  113.25  77.00 -30.00  128
 48  \w    147.00 178.00   0.50    0.28    --  113.25  77.00 -90.00   62
 49  \w     91.00 163.00   0.50    0.28    --  113.25  77.00-180.00  144
 50  \w     91.00 118.00   0.50    0.28    --  113.25  77.00 -90.00   54
 51  \w     98.00 151.00   0.50    0.28    --  113.25  61.00 -30.00  106
 52  \w    144.00 169.00   0.50    0.28    --  113.25  61.00 -90.00   50
 53  \w    131.00 171.00   0.50    0.28    --  113.25  61.00 -60.00   80
 54  \w     97.00 131.00   0.50    0.28    --  113.25  61.00 -90.00   68
 55  \w    143.00 178.00   0.50    0.28    --  113.25  61.00   0.00   70
 56  \w     99.00 133.00   0.50    0.28    --  113.25  61.00  30.00   68
 57  \w     97.00 122.00   0.50    0.28    --  113.25  61.00  90.00   50
 58  \w     97.00 165.00   0.50    0.28    --  113.25  61.00 120.00  136
 59  \w     97.00 134.00   0.50    0.28    --  113.25  61.00   0.00   74
 60  \w     97.00 132.00   0.50    0.28    --  113.25  61.00  60.00   70
 61  \w     97.00 123.00   0.50    0.28    --  113.25  61.00 -60.00   52
 62  \w     97.00 157.00   0.50    0.28    --  113.25  61.00-120.00  120
 63  \w    136.00 161.00   0.50    0.28    --  113.25  61.00-150.00   50
 64  \w     99.00 133.00   0.50    0.28    --  113.25  61.00-150.00   68
 65  \w     99.00 169.00   0.50    0.28    --  113.25  61.00-180.00  140
 66  \w    104.00 158.00   0.50    0.28    --  113.25  45.00-180.00  108
 67  \w    131.00 157.00   0.50    0.28    --  113.25  45.00  30.00   52
 68  \w    114.00 140.00   0.50    0.28    --  113.25  45.00 150.00   52
 69  \w    142.00 168.00   0.50    0.28    --  113.25  45.00 150.00   52
 70  \w    104.00 144.00   0.50    0.28    --  113.25  45.00  90.00   80
 71  \w    102.00 147.00   0.50    0.28    --  113.25  45.00  60.00   90
 72  \w    137.00 165.00   0.50    0.28    --  113.25  30.00   0.00   56
 73  \w    109.00 135.00   0.50    0.28    --  113.25  30.00   0.00   52
 74  \w    102.00 128.00   0.50    0.28    --  113.25  21.00 -26.04   52
 75  \w    106.00 137.00   0.50    0.28    --  113.25  15.00 -61.00   62
 76  \w    142.00 168.00   0.50    0.28    --  113.25  15.00 -61.00   52
 77  \w    151.00 176.00   0.50    0.28    --  113.25  30.00-120.00   50
 78  \w    129.00 171.00   0.50    0.28    --  113.25  30.00 -90.00   84
 79  \w    110.00 135.00   0.50    0.28    --  113.25  30.00-120.00   50
 80  \w     67.00  93.00   0.50    0.28    --  113.25  -2.00-152.00   52
 81  \w     67.00 104.00   0.50    0.28    --  113.25 -77.00 -60.00   74
 82  \w     44.00  74.00   0.50    0.28    --  113.25 -77.00   0.00   60
 83  \w     42.00  67.00   0.50    0.28    --  113.25 -61.00 -30.00   50
 84  \w     58.00  95.00   0.50    0.28    --  113.25 -77.00  30.00   74
 85  \w     43.00  68.00   0.50    0.28    --  113.25 -61.00  60.00   50
 86  \w     42.00  98.00   0.50    0.28    --  113.25 -77.00  90.00  112
 87  \w     42.00  98.00   0.50    0.28    --  113.25 -77.00 120.00  112
 88  \w     43.00  68.00   0.50    0.28    --  113.25 -61.00 150.00   50
 89  \w    -25.00   0.00   0.50    0.07    --   47.94 -15.00 128.00   50
 90  \w    114.00 165.00   0.50    0.28    --  113.25  -2.00-152.00  102
 91  \w     45.00  73.00   0.50    0.28    --  113.25 -84.00-143.52   56
 92  \w     86.00 111.00   0.50    0.28    --  113.25-125.00-150.00   50
 93  \w     34.00  95.00   0.50    0.07    --   47.94-125.00 -60.00  122
 94  \w     44.00  69.00   0.50    0.28    --  113.25-125.00-150.00   50
 95  \w     85.00 111.00   0.50    0.28    --  113.25-125.00   0.00   52
 96  \w     81.00 110.00   0.50    0.28    --  113.25-125.00  30.00   58
 97  \w     42.00  67.00   0.50    0.28    --  113.25-125.00  30.00   50
 98  \w     52.00  77.00   0.50    0.28    --  113.25-125.00 120.00   50
 99  \w     84.00 110.00   0.50    0.28    --  113.25-125.00 120.00   52
100  \w     35.00  85.00   0.50    0.07    --   47.94-125.00  90.00  100
101  \w     47.00  78.00   0.50    0.28    --  113.25-125.00   0.00   62
102  \w     47.00  73.00   0.50    0.28    --  113.25-125.00  60.00   52
103  \w     86.00 111.00   0.50    0.28    --  113.25-125.00  60.00   50
104  \w     86.00 111.00   0.50    0.28    --  113.25-125.00 -60.00   50
105  \w     45.00 103.00   0.50    0.28    --  113.25-125.00-120.00  116
106  \w     47.00  77.00   0.50    0.28    --  113.25 -95.00-120.00   60
107  \w     43.00  81.00   0.50    0.28    --  113.25-125.00 -60.00   76
108  \w     68.00 106.00   0.50    0.28    --  113.25 -95.00  30.00   76
109  \w     43.00 108.00   0.50    0.28    --  113.25-106.00  49.05  130
110  \w     64.00 105.00   0.50    0.28    --  113.25 -95.00 120.00   82
111  \w     51.00  77.00   0.50    0.28    --  113.25-125.00 150.00   52
112  \w     86.00 111.00   0.50    0.28    --  113.25-125.00 150.00   50
113  \w     44.00  95.00   0.50    0.28    --  113.25 -95.00 -60.00  102
114  \w     42.00  72.00   0.50    0.28    --  113.25 -95.00-180.00   60
115  \w     78.00 105.00   0.50    0.28    --  113.25 -95.00-180.00   54
116  \w     63.00 105.00   0.50    0.28    --  113.25 -95.00-150.00   84
117  \w     92.00 118.00   0.50    0.28    --  113.25 -84.00-143.52   52
118  \w    107.00 133.00   0.50    0.28    --  113.25 -88.00 105.13   52
119  \w     42.00  68.00   0.50    0.28    --  113.25 -88.00 105.13   52
120  \w     43.00  69.00   0.50    0.28    --  113.25 -95.00  60.00   52
121  \w    -70.00  24.00   0.50    0.07    --  -47.94  77.00-180.00  188
122  \w    -22.00  18.00   0.50    0.07    --  -47.94  15.00 -61.00   80
123  \w    -25.00  28.00   0.50    0.07    --  -47.94  19.00  60.00  106
124  \w    -71.00 -19.00   0.50    0.28    --  -91.75  61.00 150.00  104
125  \w   -121.00 -76.00   0.50    0.07    --  -47.94 -15.00 128.00   90
126  \w    -75.00 -34.00   0.50    0.07    --  -47.94 -15.00 128.00   82
127  \w    -69.00 -35.00   0.50    0.07    --  -47.94 -19.00  30.00   68
128  \w   -122.00 -73.00   0.50    0.07    --  -47.94 -19.00  30.00   98
129  \w    -61.00 -35.00   0.50    0.07    --  -47.94 -38.00 -60.00   52
130  \w   -101.00 -73.00   0.50    0.28    --  -91.75 -67.00-131.84   56
131  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00-176.87   52
132  \w   -100.00 -74.00   0.50    0.28    --  -91.75 -67.00  76.16   52
133  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00  84.58   52
134  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00  97.16   52
135  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00 164.63   52
136  \w   -160.00-134.00   0.50    0.28    --  -91.75 -67.00  97.16   52
137  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00 -34.81   52
138  \w    -99.00 -73.00   0.50    0.28    --  -91.75 -67.00 -96.09   52
139  \w   -103.00 -73.00   0.50    0.28    --  -91.75 -66.00 -86.78   60
140  \w   -104.00 -73.00   0.50    0.28    --  -91.75 -67.00 -74.96   62
141  \w    -99.00 -74.00   0.50    0.28    --  -91.75 -66.00 -26.61   50
142  \w   -100.00 -74.00   0.50    0.28    --  -91.75 -66.00 -60.96   52
143  \w    -98.00 -73.00   0.50    0.28    --  -91.75 -67.00-113.10   50
144  \w    -98.00 -73.00   0.50    0.28    --  -91.75 -66.00-122.88   50
145  \w    -99.00 -74.00   0.50    0.28    --  -91.75 -65.00-145.52   50
146  \w    -98.00 -73.00   0.50    0.28    --  -91.75 -66.00-162.37   50
147  \w    -99.00 -74.00   0.50    0.28    --  -91.75 -64.00-158.43   50
148  \w   -100.00 -74.00   0.50    0.28    --  -91.75 -65.00  -3.71   52
149  \w   -102.00 -76.00   0.50    0.28    --  -91.75 -64.00   5.71   52
150  \w   -101.00 -74.00   0.50    0.28    --  -91.75 -64.00  14.22   54
151  \w   -101.00 -75.00   0.50    0.28    --  -91.75 -64.00  24.72   52
152  \w    -99.00 -74.00   0.50    0.28    --  -91.75 -64.00  52.89   50
153  \w   -101.00 -74.00   0.50    0.28    --  -91.75 -64.00 106.07   54
154  \w    -98.00 -73.00   0.50    0.28    --  -91.75 -66.00 142.28   50
155  \w   -100.00 -75.00   0.50    0.28    --  -91.75 -61.00 150.00   50
156  \w   -101.00 -75.00   0.50    0.28    --  -91.75 -63.00 165.94   52
157  \w    -99.00 -74.00   0.50    0.28    --  -91.75 -63.00 125.48   50
158  \w   -102.00 -76.00   0.50    0.28    --  -91.75 -61.00  38.82   52
159  \w   -102.00 -76.00   0.50    0.28    --  -91.75 -61.00  60.00   52
160  \w   -102.00 -76.00   0.50    0.28    --  -91.75 -61.00  30.00   52
161  \w   -109.00 -76.00   0.50    0.28    --  -91.75 -60.00 112.39   66
162  \w   -100.00 -74.00   0.50    0.28    --  -91.75 -63.00 -25.79   52
163  \w   -104.00 -77.00   0.50    0.28    --  -91.75 -55.00 -28.92   54
164  \w   -100.00 -74.00   0.50    0.28    --  -91.75 -63.00 -48.31   52
165  \w   -101.00 -75.00   0.50    0.28    --  -91.75 -61.00 -60.83   52
166  \w   -124.00 -98.00   0.50    0.28    --  -91.75 -15.00 128.00   52
;
_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      -0.0701125000
_diffrn_orient_matrix_UB_12      0.0133471000
_diffrn_orient_matrix_UB_13      -0.1342773000
_diffrn_orient_matrix_UB_21      -0.1221972000
_diffrn_orient_matrix_UB_22      0.0089813000
_diffrn_orient_matrix_UB_23      0.0435890000
_diffrn_orient_matrix_UB_31      0.0259634000
_diffrn_orient_matrix_UB_32      0.0786610000
_diffrn_orient_matrix_UB_33      0.0178299000
_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  0.0647
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            85786
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.163
_diffrn_reflns_theta_min         4.690
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    24.229
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.114a (Rigaku Oxford Diffraction, 2025)
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    2.718
_exptl_crystal_description       prism
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.863
_refine_diff_density_min         -1.710
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4940
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0439
_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^)+50.4177P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.0966
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4901
_reflns_number_total             4940
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_8305
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_database_code               7720108
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Mo Co Al C N O'
_shelx_estimated_absorpt_t_max   0.444
_shelx_estimated_absorpt_t_min   0.247
_diffrn_oxdiff_ac3_digest_hkl    411b2f4b0a67c62c135e12162d4fe8d542c216
_diffrn_oxdiff_digest_od_ed
;

;
_diffrn_oxdiff_measurement_exp_name exp_8305.par
_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,H) groups
2. Restrained distances
 O21_$1-H20A
 2.004 with sigma of 0.01
 H20B-O22_$2
 1.986 with sigma of 0.01
 Mo4-H13A \\sim Mo4-H13B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O20) = Uanis(O19)
4.a Free rotating group:
 O13(H13A,H13B), O23(H23A,H23B), O22(H22A,H22B)
4.b Rotating group:
 O21(H21A,H21B), O19(H19A,H19B), O20(H20A,H20B)
4.c Idealised Me refined as rotating group:
 N1(H1A,H1B,H1C), N3(H3A,H3B,H3C), N4(H4A,H4B,H4C), N2(H2A,H2B,H2C)
;
_shelx_res_checksum              63692
_shelx_hkl_checksum              61194
_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 2.260
_oxdiff_exptl_absorpt_empirical_full_min 0.536