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_7720111
_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, 2(C6 H16 Co N4 O4), C12 H42 Co2 N8 Na2 O13, 11(H2 O)'
_chemical_formula_sum            'C24 H96 Co4 Mo6 N16 Na2 O56 Te'
_chemical_formula_weight         2490.10
_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                 97.3211(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.44470(10)
_cell_length_b                   15.34869(6)
_cell_length_c                   20.32150(8)
_cell_measurement_reflns_used    80775
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      79.7560
_cell_measurement_theta_min      3.4560
_cell_volume                     7252.98(5)
_computing_cell_refinement       'CrysAlisPro 1.171.43.104a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 41.123a 64-bit (release 20-01-2022))'
_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_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_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    -56.00 -30.00   0.50    0.15    --  -47.74 -69.00-173.00   52
  2  \w     30.00  56.00   0.50    0.15    --   47.74  69.00 -41.00   52
  3  \w    -23.00  65.00   0.50    0.15    --   47.74 -69.00-173.00  176
  4  \w     75.00 100.00   0.50    0.15    --   47.74  69.00 -41.00   50
  5  \w    -76.00 -51.00   0.50    0.60    --  -91.75  69.00 -41.00   50
  6  \w    -98.00 -72.00   0.50    0.60    --  -91.75 -69.00-173.00   52
  7  \w   -156.00-130.00   0.50    0.60    --  -91.75 -69.00-173.00   52
  8  \w     97.00 170.00   0.50    0.60    --  113.25  69.00 -41.00  146
  9  \w    -57.00 -32.00   0.50    0.15    --   14.00 162.00 135.57   50
 10  \w    -15.00  15.00   0.50    0.15    --   14.00  99.00  47.95   60
 11  \w    -10.00  17.00   0.50    0.15    --   22.00  97.00 120.71   54
 12  \w      0.00  25.00   0.50    0.15    --   26.00  85.00 -45.40   50
 13  \w     -2.00  23.00   0.50    0.15    --   26.00  89.00 -13.10   50
 14  \w      5.00  30.00   0.50    0.15    --   30.00  82.00  23.78   50
 15  \w     13.00  38.00   0.50    0.15    --   34.00  74.00   5.16   50
 16  \w     17.00  42.00   0.50    0.15    --   38.00  73.00-140.58   50
 17  \w     17.00  42.00   0.50    0.15    --   38.00  73.00 127.94   50
 18  \w     18.00  43.00   0.50    0.15    --   38.00  71.00  -4.26   50
 19  \w     17.00  42.00   0.50    0.15    --   38.00  72.00  85.22   50
 20  \w     29.00  72.00   0.50    0.15    --   46.00  66.00  -2.08   86
 21  \w     33.00  59.00   0.50    0.15    --   46.00  65.00 157.98   52
 22  \w     80.00 106.00   0.50    0.15    --   46.00  66.00  -2.08   52
 23  \w   -118.00 -92.00   0.50    0.15    --  -47.74 -77.00  60.00   52
 24  \w    -11.00  25.00   0.50    0.15    --  -47.74  69.00 -41.00   72
 25  \w    -55.00 -17.00   0.50    0.15    --  -47.74  69.00 -41.00   76
 26  \w    -69.00 -35.00   0.50    0.15    --  -47.74 -19.00-180.00   68
 27  \w     31.00  57.00   0.50    0.15    --   47.74  65.00 -87.33   52
 28  \w     32.00  59.00   0.50    0.15    --   47.74  63.00 -57.48   54
 29  \w     35.00  94.00   0.50    0.15    --   47.74-125.00   0.00  118
 30  \w     36.00  84.00   0.50    0.15    --   47.74  19.00 -30.00   96
 31  \w     33.00  58.00   0.50    0.15    --   50.00  64.00  42.64   50
 32  \w     34.00  71.00   0.50    0.15    --   50.00  64.00-133.10   74
 33  \w     38.00  64.00   0.50    0.15    --   54.00  66.00  41.43   52
 34  \w     36.00  67.00   0.50    0.15    --   54.00  65.00-177.60   62
 35  \w     83.00 111.00   0.50    0.15    --   54.00  65.00-177.60   56
 36  \w     36.00  61.00   0.50    0.15    --   54.00  65.00  95.59   50
 37  \w     46.00  76.00   0.50    0.15    --   62.00  65.00 110.43   60
 38  \w    100.00 133.00   0.50    0.15    --   62.00  65.00 110.43   66
 39  \w    -73.00 -48.00   0.50    0.15    --  -66.00 -66.00-160.74   50
 40  \w    -76.00 -50.00   0.50    0.15    --  -66.00 -63.00 124.15   52
 41  \w   -139.00 -91.00   0.50    0.15    --  -66.00 -63.00 124.15   96
 42  \w    -75.00 -49.00   0.50    0.15    --  -66.00 -64.00 177.49   52
 43  \w    -75.00 -49.00   0.50    0.15    --  -66.00 -66.00 -64.36   52
 44  \w    -77.00 -48.00   0.50    0.15    --  -66.00 -65.00  92.22   58
 45  \w     48.00  75.00   0.50    0.15    --   66.00  66.00  46.36   54
 46  \w    -79.00 -53.00   0.50    0.60    --  -70.00 -66.00  30.97   52
 47  \w    -81.00 -52.00   0.50    0.60    --  -70.00 -66.00 -24.97   58
 48  \w    -77.00 -51.00   0.50    0.60    --  -70.00 -67.00 153.37   52
 49  \w    -78.00 -51.00   0.50    0.60    --  -70.00 -67.00 -72.52   54
 50  \w    -81.00 -56.00   0.50    0.60    --  -74.00 -66.00 -34.73   50
 51  \w   -145.00-119.00   0.50    0.60    --  -74.00 -66.00 -34.73   52
 52  \w    -82.00 -57.00   0.50    0.60    --  -74.00 -62.00 173.17   50
 53  \w    -83.00 -57.00   0.50    0.60    --  -74.00 -62.00 -89.42   52
 54  \w    -84.00 -58.00   0.50    0.60    --  -74.00 -64.00  55.32   52
 55  \w    -84.00 -58.00   0.50    0.60    --  -74.00 -64.00 -97.89   52
 56  \w    -82.00 -56.00   0.50    0.60    --  -74.00 -65.00-111.66   52
 57  \w    -82.00 -56.00   0.50    0.60    --  -74.00 -66.00-125.94   52
 58  \w    -81.00 -56.00   0.50    0.60    --  -74.00 -65.00  69.75   50
 59  \w    -86.00 -60.00   0.50    0.60    --  -78.00 -64.00 112.70   52
 60  \w    -89.00 -64.00   0.50    0.60    --  -82.00 -64.00 152.48   50
 61  \w    -91.00 -65.00   0.50    0.60    --  -82.00 -63.00  23.87   52
 62  \w    -91.00 -65.00   0.50    0.60    --  -82.00 -65.00  12.76   52
 63  \w   -153.00-122.00   0.50    0.60    --  -86.00 -61.00  38.85   62
 64  \w    -99.00 -73.00   0.50    0.60    --  -86.00 -61.00  38.85   52
 65  \w    -94.00 -68.00   0.50    0.60    --  -86.00 -65.00 -91.53   52
 66  \w   -162.00-118.00   0.50    0.60    --  -90.00 -66.00 -60.42   88
 67  \w    -98.00 -72.00   0.50    0.60    --  -90.00 -66.00 -60.42   52
 68  \w   -109.00 -73.00   0.50    0.60    --  -90.00 -65.00   1.83   72
 69  \w    -98.00 -72.00   0.50    0.60    --  -90.00 -64.00 155.24   52
 70  \w    -98.00 -72.00   0.50    0.60    --  -90.00 -66.00-160.11   52
 71  \w    -99.00 -74.00   0.50    0.60    --  -91.75 -63.00-144.43   50
 72  \w   -100.00 -74.00   0.50    0.60    --  -91.75 -64.00  16.63   52
 73  \w   -163.00-137.00   0.50    0.60    --  -91.75 -64.00  16.63   52
 74  \w   -100.00 -74.00   0.50    0.60    --  -91.75 -64.00 -46.06   52
 75  \w   -162.00-137.00   0.50    0.60    --  -91.75 -64.00 -46.06   50
 76  \w   -106.00 -74.00   0.50    0.60    --  -91.75 -65.00 151.97   64
 77  \w    -99.00 -73.00   0.50    0.60    --  -91.75 -67.00  86.99   52
 78  \w   -104.00 -75.00   0.50    0.60    --  -91.75 -65.00 -74.97   58
 79  \w   -162.00-137.00   0.50    0.60    --  -91.75 -65.00 -74.97   50
 80  \w   -105.00 -75.00   0.50    0.60    --  -91.75 -62.00 141.20   60
 81  \w    -99.00 -74.00   0.50    0.60    --  -91.75 -65.00-133.07   50
 82  \w   -101.00 -75.00   0.50    0.60    --  -91.75 -66.00  75.50   52
 83  \w   -108.00 -73.00   0.50    0.60    --  -91.75 -66.00 -11.20   70
 84  \w   -100.00 -74.00   0.50    0.60    --  -91.75 -64.00-112.18   52
 85  \w   -162.00-131.00   0.50    0.60    --  -91.75 -64.00-112.18   62
 86  \w    -99.00 -74.00   0.50    0.60    --  -91.75 -64.00  58.71   50
 87  \w   -161.00-135.00   0.50    0.60    --  -91.75 -66.00 -11.20   52
 88  \w   -100.00 -73.00   0.50    0.60    --  -91.75 -67.00 109.12   54
 89  \w    -99.00 -74.00   0.50    0.60    --  -91.75 -64.00  94.77   50
 90  \w   -100.00 -74.00   0.50    0.60    --  -91.75 -64.00 120.14   52
 91  \w   -100.00 -75.00   0.50    0.60    --  -91.75 -61.00-154.42   50
 92  \w   -107.00 -73.00   0.50    0.60    --  -91.75 -67.00 -27.98   68
 93  \w   -101.00 -75.00   0.50    0.60    --  -91.75 -64.00-124.60   52
 94  \w   -110.00 -74.00   0.50    0.60    --  -91.75 -64.00   9.75   72
 95  \w   -163.00-124.00   0.50    0.60    --  -91.75 -64.00   9.75   78
 96  \w     91.00 118.00   0.50    0.60    --  113.25  77.00  60.00   54
 97  \w     97.00 155.00   0.50    0.60    --  113.25  61.00 -60.00  116
 98  \w     91.00 174.00   0.50    0.60    --  113.25  77.00 120.00  166
 99  \w     78.00 106.00   0.50    0.60    --  113.25 -95.00  90.00   56
100  \w     42.00  71.00   0.50    0.60    --  113.25 -95.00  90.00   58
101  \w    130.00 178.00   0.50    0.60    --  113.25  45.00  90.00   96
102  \w     44.00 100.00   0.50    0.60    --  113.25 -95.00 -90.00  112
103  \w     86.00 111.00   0.50    0.60    --  113.25-125.00 -30.00   50
104  \w     45.00  71.00   0.50    0.60    --  113.25-125.00 -30.00   52
105  \w     82.00 111.00   0.50    0.60    --  113.25-125.00 150.00   58
106  \w     98.00 129.00   0.50    0.60    --  113.25  61.00-180.00   62
107  \w    130.00 175.00   0.50    0.60    --  113.25  77.00-120.00   90
108  \w    129.00 155.00   0.50    0.60    --  113.25  61.00 120.00   52
109  \w     94.00 121.00   0.50    0.60    --  113.25  77.00-120.00   54
110  \w    141.00 177.00   0.50    0.60    --  113.25  77.00   0.00   72
111  \w     98.00 126.00   0.50    0.60    --  113.25  61.00 120.00   56
112  \w     42.00  79.00   0.50    0.60    --  113.25-125.00 150.00   74
113  \w     93.00 135.00   0.50    0.60    --  113.25  77.00   0.00   84
114  \w    108.00 133.00   0.50    0.60    --  113.25  30.00-180.00   50
115  \w    153.00 178.00   0.50    0.60    --  113.25  30.00-180.00   50
116  \w     74.00 106.00   0.50    0.60    --  113.25 -95.00-180.00   64
117  \w     43.00  69.00   0.50    0.60    --  113.25 -95.00-180.00   52
118  \w     42.00 111.00   0.50    0.60    --  113.25-125.00   0.00  138
119  \w    105.00 145.00   0.50    0.60    --  113.25  61.00-120.00   80
120  \w    148.00 178.00   0.50    0.60    --  113.25  30.00 150.00   60
121  \w     42.00 105.00   0.50    0.60    --  113.25 -77.00 120.00  126
122  \w     43.00  95.00   0.50    0.60    --  113.25 -77.00 -90.00  104
123  \w    153.00 178.00   0.50    0.60    --  113.25  77.00  30.00   50
124  \w    101.00 126.00   0.50    0.60    --  113.25  61.00  90.00   50
125  \w     92.00 133.00   0.50    0.60    --  113.25  77.00  30.00   82
126  \w     72.00 106.00   0.50    0.60    --  113.25 -95.00-150.00   68
127  \w     97.00 158.00   0.50    0.60    --  113.25  61.00 -90.00  122
128  \w    131.00 174.00   0.50    0.60    --  113.25  61.00  60.00   86
129  \w     44.00  71.00   0.50    0.60    --  113.25-125.00  30.00   54
130  \w     80.00 109.00   0.50    0.60    --  113.25-125.00  30.00   58
131  \w     97.00 163.00   0.50    0.60    --  113.25  61.00   0.00  132
132  \w    141.00 178.00   0.50    0.60    --  113.25  77.00  60.00   74
133  \w    141.00 176.00   0.50    0.60    --  113.25  77.00 -30.00   70
134  \w     97.00 128.00   0.50    0.60    --  113.25  61.00  60.00   62
135  \w     91.00 135.00   0.50    0.60    --  113.25  77.00 -30.00   88
136  \w     92.00 172.00   0.50    0.60    --  113.25  77.00 -90.00  160
137  \w     78.00 111.00   0.50    0.60    --  113.25-125.00 -60.00   66
138  \w     93.00 140.00   0.50    0.60    --  113.25  77.00-150.00   94
139  \w    140.00 178.00   0.50    0.60    --  113.25  77.00 150.00   76
140  \w     91.00 173.00   0.50    0.60    --  113.25  77.00-180.00  164
141  \w     92.00 131.00   0.50    0.60    --  113.25  77.00 150.00   78
142  \w     81.00 106.00   0.50    0.60    --  113.25 -95.00   0.00   50
143  \w     46.00  78.00   0.50    0.60    --  113.25 -77.00-150.00   64
144  \w    137.00 166.00   0.50    0.60    --  113.25  77.00 -60.00   58
145  \w     67.00 111.00   0.50    0.60    --  113.25-125.00-180.00   88
146  \w     93.00 128.00   0.50    0.60    --  113.25  77.00 -60.00   70
147  \w     42.00  69.00   0.50    0.60    --  113.25 -95.00   0.00   54
148  \w     42.00  68.00   0.50    0.60    --  113.25-125.00 -60.00   52
149  \w     98.00 155.00   0.50    0.60    --  113.25 125.00-150.00  114
150  \w    100.00 165.00   0.50    0.60    --  113.25  61.00-150.00  130
151  \w     83.00 110.00   0.50    0.60    --  113.25-125.00  90.00   54
152  \w     47.00  78.00   0.50    0.60    --  113.25-125.00  90.00   62
153  \w     43.00  80.00   0.50    0.60    --  113.25 -77.00   0.00   74
154  \w    103.00 170.00   0.50    0.60    --  113.25  61.00  30.00  134
155  \w     81.00 109.00   0.50    0.60    --  113.25-125.00 120.00   56
156  \w    148.00 173.00   0.50    0.60    --  113.25  77.00  90.00   50
157  \w     91.00 132.00   0.50    0.60    --  113.25  77.00  90.00   82
158  \w     43.00  69.00   0.50    0.60    --  113.25-125.00 120.00   52
159  \w     44.00  69.00   0.50    0.60    --  113.25 -61.00 150.00   50
160  \w     42.00  80.00   0.50    0.60    --  113.25 -95.00  60.00   76
161  \w     42.00  67.00   0.50    0.60    --  113.25 -69.00-173.00   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      -0.0151096000
_diffrn_orient_matrix_UB_12      0.0041350000
_diffrn_orient_matrix_UB_13      -0.0759683000
_diffrn_orient_matrix_UB_21      -0.0492014000
_diffrn_orient_matrix_UB_22      -0.0655561000
_diffrn_orient_matrix_UB_23      0.0038721000
_diffrn_orient_matrix_UB_31      -0.0417164000
_diffrn_orient_matrix_UB_32      0.0758893000
_diffrn_orient_matrix_UB_33      0.0074734000
_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  0.0543
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            128517
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.181
_diffrn_reflns_theta_min         3.802
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    19.522
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.568
_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    2.260
_exptl_crystal_description       prism
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.075
_refine_diff_density_min         -1.399
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7832
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0557P)^2^+42.4638P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0917
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7679
_reflns_number_total             7832
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt03064a2.cif
_cod_data_source_block           exp_7360
_cod_depositor_comments
'Adding full bibliography for 7720101--7720111.cif.'
_cod_database_code               7720111
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'Co Mo C N O'
_shelx_estimated_absorpt_t_max   0.442
_shelx_estimated_absorpt_t_min   0.085
_olex2_refinement_description
;
1. Restrained distances
 Na1-H22A \\sim Na1-H22B
 with sigma of 0.02
 Na1-H22C \\sim Na1-H22D
 with sigma of 0.02
 Na1-H23C \\sim Na1-H23D
 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(O22B) = Uanis(O22A)
Uanis(O23A) = Uanis(O23B)
Uanis(O25A) = Uanis(O25B)
Uanis(O29A) = Uanis(O29B)
3. Others
 Sof(O23B)=Sof(H23C)=Sof(H23D)=1-FVAR(1)
 Sof(O23A)=Sof(H23A)=Sof(H23B)=FVAR(1)
 Sof(O25A)=1-FVAR(2)
 Sof(O25B)=FVAR(2)
 Sof(O29A)=1-FVAR(3)
 Sof(O29B)=FVAR(3)
 Fixed Sof: H21A(0.5) H21B(0.5) O22B(0.5) H22A(0.5) H22B(0.5) O22A(0.5)
 H22C(0.5) H22D(0.5) O27(0.5)
4.a Free rotating group:
 O22B(H22A,H22B), O22A(H22C,H22D), O23B(H23C,H23D)
4.b Rotating group:
 O23A(H23A,H23B)
4.c Secondary CH2 refined with riding coordinates:
 N8(H8A,H8B), N5(H5A,H5B), N2(H2A,H2B), N6(H6A,H6B), N4(H4A,H4B), N3(H3A,H3B),
 N7(H7A,H7B), N1(H1A,H1B), O21(H21A,H21B), C12(H12A,H12B), C6(H6C,H6D),
 C11(H11A,H11B), C9(H9A,H9B), C5(H5C,H5D), C10(H10A,H10B), C4(H4C,H4D), C3(H3C,
 H3D)
;
_shelx_res_checksum              28429
_shelx_hkl_checksum              2571
_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 7.341
_oxdiff_exptl_absorpt_empirical_full_min 0.566