La-[<sup>18/19</sup>F]fluoride complexes: a novel addition to the radiofluorination family.
Behe, Martin; Gruber, Stefan; Li, Cen; Schreckenbach, Georg; Mu, Linjing; Schottelius, Margret; Faizova, Radmila; Dalton transactions (Cambridge, England : 2003)  (2026) –; doi:10.1039/d5dt02645h

data_7720775
_publ_section_title
;
 La-[<sup>18/19</sup>F]fluoride complexes: a novel addition to the
 radiofluorination family.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5944
_journal_page_last               5951
_journal_paper_doi               10.1039/d5dt02645h
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C32 H40 F La N8, 2(C F3 O3 S)'
_chemical_formula_sum            'C34 H40 F7 La N8 O6 S2'
_chemical_formula_weight         992.77
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-11-05
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-10-19 deposited with the CCDC.	2026-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.1793(2)
_cell_length_b                   11.10610(10)
_cell_length_c                   8.00430(10)
_cell_measurement_reflns_used    49940
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      74.1820
_cell_measurement_theta_min      3.9670
_cell_volume                     1971.66(4)
_computing_cell_refinement       'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_collection
'CrysAlisPro system (CCD 43.137a 64-bit (release 10-09-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_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    -45.00 -18.00   0.50    0.05    --  -62.00  62.00 130.12   54
  2  \w    -48.00 -21.00   0.50    0.05    --  -62.00  62.00  42.01   54
  3  \w    -38.00 -12.00   0.50    0.05    --  -58.00  54.00 -69.71   52
  4  \w    -62.00 -34.00   0.50    0.05    --  -72.64  75.00 -87.56   56
  5  \w    -47.00 -18.00   0.50    0.05    --  -62.00  62.00-137.80   58
  6  \w    -34.00  -8.00   0.50    0.05    --  -54.00  52.00-116.63   52
  7  \w    -33.00  -8.00   0.50    0.05    --  -54.00  53.00 -42.20   50
  8  \w    -35.00  -9.00   0.50    0.05    --  -54.00  53.00  -9.55   52
  9  \w    -35.00 -10.00   0.50    0.05    --  -54.00  52.00  11.53   50
 10  \w    -34.00  -8.00   0.50    0.05    --  -54.00  52.00  75.86   52
 11  \w    -36.00  -9.00   0.50    0.05    --  -54.00  53.00 152.15   54
 12  \w    -29.00  -3.00   0.50    0.05    --  -50.00  50.00 102.05   52
 13  \w    -24.00   1.00   0.50    0.05    --  -46.00  44.00  46.65   50
 14  \w     62.00  87.00   0.50    0.05    --   46.00  52.00 104.91   50
 15  \w     62.00  87.00   0.50    0.05    --   46.00  51.00 154.05   50
 16  \w    -28.00  -3.00   0.50    0.05    --  -50.00  47.00-146.58   50
 17  \w     58.00  83.00   0.50    0.05    --   42.00  52.00-161.78   50
 18  \w     65.00  90.00   0.50    0.05    --   50.00  54.00-116.15   50
 19  \w     65.00 105.00   0.50    0.15    --   75.17  11.00-111.43   80
 20  \w     76.00 106.00   0.50    0.15    --   75.17  12.00  11.09   60
 21  \w     90.00 115.00   0.50    0.05    --   72.89  20.00  99.58   50
 22  \w     91.00 116.00   0.50    0.15    --   75.17  22.00 159.30   50
 23  \w     89.00 114.00   0.50    0.15    --   75.17  20.00 133.87   50
 24  \w     65.00  98.00   0.50    0.05    --   72.89  11.00 108.32   66
 25  \w     65.00  91.00   0.50    0.05    --   67.93-125.00  90.00   52
 26  \w     29.00  65.00   0.50    0.05    --   67.93-125.00 150.00   72
 27  \w     25.00  51.00   0.50    0.05    --   67.93-125.00  90.00   52
 28  \w     75.00 100.00   0.50    0.15    --   77.85-125.00  30.00   50
 29  \w     55.00  91.00   0.50    0.05    --   67.93-125.00   0.00   72
 30  \w     36.00  61.00   0.50    0.15    --   77.85-125.00  30.00   50
 31  \w     23.00  48.00   0.50    0.05    --   67.93-125.00   0.00   50
 32  \w     35.00  61.00   0.50    0.15    --   77.85-125.00 -60.00   52
 33  \w     75.00 100.00   0.50    0.15    --   77.85-125.00 -60.00   50
 34  \w     35.00  86.00   0.50    0.15    --   77.85-125.00 -90.00  102
 35  \w     35.00  61.00   0.50    0.15    --   77.85-125.00   0.00   52
 36  \w     65.00 100.00   0.50    0.15    --   77.85-125.00 150.00   70
 37  \w     35.00  60.00   0.50    0.15    --   77.85-125.00 150.00   50
 38  \w     35.00 100.00   0.50    0.15    --   77.85-125.00 120.00  130
 39  \w     54.00  93.00   0.50    0.15    --   77.85-109.00-145.00   78
 40  \w     25.00  58.00   0.50    0.05    --   67.93-109.00-145.00   66
 41  \w     34.00  59.00   0.50    0.05    --   70.78-109.00-145.00   50
 42  \w    -72.00 -46.00   0.50    0.05    --  -30.00 -47.00 -59.65   52
 43  \w    -47.00 -20.00   0.50    0.05    --   -6.00 -64.00-146.29   54
 44  \w    -47.00 -21.00   0.50    0.05    --   -6.00 -64.00-115.87   52
 45  \w    -48.00 -22.00   0.50    0.05    --  -10.00 -63.00 -66.84   52
 46  \w    -45.00 -20.00   0.50    0.05    --   -6.00 -66.00  -4.95   50
 47  \w    -53.00 -28.00   0.50    0.05    --  -14.00 -60.00  16.07   50
 48  \w    -53.00 -28.00   0.50    0.05    --  -14.00 -60.00  64.15   50
 49  \w    -50.00 -24.00   0.50    0.05    --  -10.00 -63.00  98.38   52
 50  \w    -42.00 -16.00   0.50    0.05    --   -2.00 -67.00 163.48   52
 51  \w    -53.00 -28.00   0.50    0.05    --  -14.00 -60.00 151.85   50
 52  \w    -66.00 -40.00   0.50    0.05    --  -22.00 -55.00 139.43   52
 53  \w    -65.00 -39.00   0.50    0.05    --  -22.00 -55.00 123.28   52
 54  \w    -74.00 -45.00   0.50    0.05    --  -30.00 -55.00 104.93   58
 55  \w    -92.00 -66.00   0.50    0.05    --  -50.00 -55.00  89.54   52
 56  \w    -67.00 -41.00   0.50    0.05    --  -26.00 -55.00  41.89   52
 57  \w    -87.00 -61.00   0.50    0.05    --  -46.00 -55.00 -39.31   52
 58  \w    -91.00 -65.00   0.50    0.05    --  -50.00 -55.00 -88.15   52
 59  \w    -82.00 -57.00   0.50    0.05    --  -42.00 -54.00-109.00   50
 60  \w    -63.00 -37.00   0.50    0.05    --  -22.00 -54.00-162.49   52
 61  \w    -75.00 -49.00   0.50    0.05    --  -34.00 -54.00-177.94   52
 62  \w    -53.00 -28.00   0.50    0.05    --  -14.00 -59.00 -81.30   50
 63  \w    -70.00 -41.00   0.50    0.05    --  -26.00 -53.00-136.88   58
 64  \w    -66.00 -38.00   0.50    0.05    --  -22.00 -54.00 -20.76   56
 65  \w    -63.00 -37.00   0.50    0.05    --  -22.00 -53.00 -77.58   52
 66  \w    -81.00 -53.00   0.50    0.05    --  -38.00 -53.00 -59.51   56
 67  \w    -67.00 -41.00   0.50    0.05    --  -26.00 -53.00-106.69   52
 68  \w    -71.00 -45.00   0.50    0.05    --  -30.00 -53.00  41.25   52
 69  \w    -90.00 -64.00   0.50    0.05    --  -46.00 -54.00  90.18   52
 70  \w    -79.00 -53.00   0.50    0.05    --  -38.00 -54.00 166.32   52
 71  \w    -66.00 -40.00   0.50    0.05    --  -22.00 -51.00  65.91   52
 72  \w    -76.00 -50.00   0.50    0.05    --  -30.00 -52.00  18.06   52
 73  \w    -76.00 -50.00   0.50    0.05    --  -34.00 -50.00 -16.07   52
 74  \w    -88.00 -63.00   0.50    0.05    --  -42.00 -51.00-129.80   50
 75  \w    -94.00 -68.00   0.50    0.05    --  -50.00 -51.00 -56.39   52
 76  \w    -86.00 -61.00   0.50    0.05    --  -46.00 -47.00 -26.56   50
 77  \w    -85.00 -59.00   0.50    0.05    --  -42.00 -50.00   8.12   52
 78  \w    -72.00 -46.00   0.50    0.05    --  -30.00 -50.00 128.79   52
 79  \w   -113.00 -70.00   0.50    0.15    --  -75.17 -11.00 171.36   86
 80  \w   -114.00 -87.00   0.50    0.05    --  -72.64 -67.00 128.31   54
 81  \w   -112.00 -86.00   0.50    0.05    --  -72.64 -67.00 146.97   52
 82  \w   -116.00 -87.00   0.50    0.15    --  -75.17 -67.00 113.68   58
 83  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -66.00  58.06   50
 84  \w   -111.00 -85.00   0.50    0.05    --  -72.64 -66.00 116.54   52
 85  \w   -113.00 -85.00   0.50    0.05    --  -72.64 -66.00  40.27   56
 86  \w   -114.00 -87.00   0.50    0.15    --  -75.17 -66.00 139.99   54
 87  \w   -112.00 -86.00   0.50    0.05    --  -72.64 -67.00 -92.35   52
 88  \w   -111.00 -86.00   0.50    0.15    --  -75.17 -67.00 -96.14   50
 89  \w   -111.00 -86.00   0.50    0.15    --  -75.17 -67.00-177.92   50
 90  \w   -111.00 -85.00   0.50    0.05    --  -72.64 -66.00-133.79   52
 91  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -66.00  99.01   50
 92  \w   -110.00 -84.00   0.50    0.05    --  -72.64 -65.00  88.53   52
 93  \w   -110.00 -84.00   0.50    0.05    --  -72.64 -65.00 152.52   52
 94  \w   -109.00 -84.00   0.50    0.05    --  -72.64 -65.00 168.23   50
 95  \w   -110.00 -83.00   0.50    0.05    --  -70.00 -64.00 128.57   54
 96  \w   -111.00 -85.00   0.50    0.05    --  -72.64 -64.00 -33.38   52
 97  \w   -114.00 -85.00   0.50    0.05    --  -72.64 -64.00 -20.23   58
 98  \w   -111.00 -84.00   0.50    0.05    --  -72.64 -65.00 -59.50   54
 99  \w   -110.00 -84.00   0.50    0.05    --  -72.64 -65.00 -69.23   52
100  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -63.00 -16.57   50
101  \w   -109.00 -83.00   0.50    0.05    --  -70.00 -62.00 -51.19   52
102  \w   -107.00 -82.00   0.50    0.05    --  -70.00 -62.00  -4.14   50
103  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -62.00  25.52   50
104  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -62.00  41.63   50
105  \w   -113.00 -88.00   0.50    0.15    --  -75.17 -62.00  76.08   50
106  \w    -95.00 -69.00   0.50    0.05    --  -54.00 -55.00  16.70   52
107  \w   -108.00 -82.00   0.50    0.05    --  -70.00 -63.00 -88.19   52
108  \w   -112.00 -86.00   0.50    0.05    --  -72.64 -61.00-125.35   52
109  \w   -114.00 -88.00   0.50    0.05    --  -72.64 -63.00-157.66   52
110  \w   -110.00 -84.00   0.50    0.05    --  -72.64 -65.00-174.13   52
111  \w   -104.00 -77.00   0.50    0.05    --  -62.00 -55.00-128.06   54
112  \w   -107.00 -81.00   0.50    0.05    --  -66.00 -55.00-166.36   52
113  \w    -99.00 -73.00   0.50    0.05    --  -54.00 -55.00 -34.83   52
114  \w    -97.00 -71.00   0.50    0.05    --  -54.00 -55.00 -78.71   52
115  \w   -102.00 -77.00   0.50    0.05    --  -62.00 -55.00  36.56   50
116  \w    -98.00 -72.00   0.50    0.05    --  -54.00 -55.00  88.81   52
117  \w    -96.00 -69.00   0.50    0.05    --  -54.00 -55.00 173.90   54
118  \w    -95.00 -69.00   0.50    0.05    --  -54.00 -55.00 132.99   52
119  \w    -99.00 -73.00   0.50    0.05    --  -58.00 -52.00  39.38   52
120  \w    -98.00 -72.00   0.50    0.05    --  -54.00 -51.00  45.67   52
121  \w   -103.00 -74.00   0.50    0.05    --  -58.00 -51.00   7.40   58
122  \w   -105.00 -79.00   0.50    0.05    --  -62.00 -51.00  -9.52   52
123  \w   -100.00 -74.00   0.50    0.05    --  -58.00 -49.00  72.12   52
124  \w   -117.00 -92.00   0.50    0.05    --  -70.00 -36.00 146.73   50
125  \w   -109.00 -82.00   0.50    0.05    --  -66.00 -53.00 -46.16   54
126  \w   -102.00 -76.00   0.50    0.05    --  -62.00 -45.00 -75.68   52
127  \w   -110.00 -81.00   0.50    0.05    --  -66.00 -54.00-133.69   58
128  \w   -112.00 -81.00   0.50    0.05    --  -66.00 -54.00-149.74   62
129  \w   -117.00 -92.00   0.50    0.15    --  -75.17 -22.00 -55.66   50
130  \w   -117.00 -92.00   0.50    0.15    --  -75.17 -21.00-133.53   50
131  \w   -116.00 -90.00   0.50    0.05    --  -70.00 -31.00 -29.96   52
132  \w   -113.00 -88.00   0.50    0.05    --  -70.00 -25.00  21.10   50
133  \w   -112.00 -87.00   0.50    0.05    --  -66.00 -30.00  48.55   50
134  \w   -111.00 -76.00   0.50    0.05    --  -72.64 -11.00 130.06   70
135  \w   -108.00 -82.00   0.50    0.15    --  -75.17 -15.00  99.08   52
136  \w   -110.00 -85.00   0.50    0.05    --  -72.64 -17.00  64.65   50
137  \w   -109.00 -70.00   0.50    0.05    --  -72.64 -12.00 -36.96   78
138  \w   -106.00 -81.00   0.50    0.05    --  -72.64 -11.00-153.98   50
139  \w    -94.00 -54.00   0.50    0.05    --  -66.00 -11.00-138.25   80
140  \w    -75.00 -33.00   0.50    0.05    --  -72.64  93.00   1.72   84
141  \w    -61.00 -30.00   0.50    0.15    --  -75.17 124.00 116.91   62
142  \w    -59.00 -21.00   0.50    0.05    --  -66.25 125.00 120.00   76
143  \w   -100.00 -65.00   0.50    0.15    --  -75.17 124.00 116.91   70
144  \w    -49.00 -24.00   0.50    0.05    --  -22.00 129.00  91.09   50
145  \w    -55.00 -30.00   0.50    0.15    --  -75.17 122.00 -30.59   50
146  \w    -97.00 -72.00   0.50    0.15    --  -75.17 124.00-110.82   50
147  \w    -82.00 -55.00   0.50    0.05    --  -66.25 125.00-150.00   54
148  \w    -50.00 -21.00   0.50    0.05    --  -66.25 125.00-150.00   58
149  \w    -55.00 -30.00   0.50    0.15    --  -75.17 124.00-110.82   50
150  \w    -99.00 -73.00   0.50    0.15    --  -75.17 122.00 -30.59   52
151  \w    -95.00 -31.00   0.50    0.15    --  -75.17 115.00-114.54  128
152  \w    -99.00 -30.00   0.50    0.15    --  -75.17 121.00  18.49  138
153  \w    -72.00 -26.00   0.50    0.05    --  -69.39 109.00 -50.00   92
154  \w    -57.00 -32.00   0.50    0.15    --  -75.17 121.00  89.79   50
155  \w    -78.00 -30.00   0.50    0.05    --  -72.64 109.00 110.45   96
156  \w    -98.00 -30.00   0.50    0.15    --  -75.17 121.00 165.02  136
157  \w    -99.00 -67.00   0.50    0.15    --  -75.17 121.00  89.79   64
158  \w    -50.00 -24.00   0.50    0.05    --  -66.25 109.00 -50.00   52
159  \w    -23.00   3.00   0.50    0.05    --  -10.00 103.00 -49.45   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix-Arc 150'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0098258000
_diffrn_orient_matrix_UB_12      0.1350173000
_diffrn_orient_matrix_UB_13      -0.0349542000
_diffrn_orient_matrix_UB_21      -0.0671573000
_diffrn_orient_matrix_UB_22      -0.0243087000
_diffrn_orient_matrix_UB_23      -0.0357659000
_diffrn_orient_matrix_UB_31      -0.0147766000
_diffrn_orient_matrix_UB_32      0.0206984000
_diffrn_orient_matrix_UB_33      0.1858071000
_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  0.0381
_diffrn_reflns_av_unetI/netI     0.0140
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            73298
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.251
_diffrn_reflns_theta_min         3.986
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    10.145
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.451
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.137a (Rigaku Oxford Diffraction, 2024)
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            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.126
_exptl_crystal_size_mid          0.079
_exptl_crystal_size_min          0.073
_refine_diff_density_max         1.409
_refine_diff_density_min         -1.807
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.498(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+5.2258P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1005
_reflns_Friedel_coverage         0.728
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                3873
_reflns_number_total             3946
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02645h2.cif
_cod_data_source_block           rs041124_1_1
_cod_depositor_comments
'Adding full bibliography for 7720775--7720777.cif.'
_cod_database_code               7720775
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         C39H40F7LaN6O6S2
_shelx_estimated_absorpt_t_max   0.525
_shelx_estimated_absorpt_t_min   0.361
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.502(9)
 0.498(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C6(H6A,H6B), C11(H11A,H11B), C8(H8A,H8B), C7(H7A,
 H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C13(H13), C14(H14), C4(H4), C15(H15), C16(H16), C2(H2), C3(H3)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              8393
_shelx_fab_checksum              9089
_olex2_date_sample_data_collection 2024-11-04
_olex2_date_sample_submission    2024-11-04
_olex2_submission_original_sample_id rs041124_1_1
_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 1.767
_oxdiff_exptl_absorpt_empirical_full_min 0.703