#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:02:21 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180908 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/49/2104908.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2104908_Fobs
loop_
_publ_author_name
'Drebushchak, Tatiana N.'
'Drebushchak, Valeri A.'
'Boldyreva, Elena V.'
_publ_section_title
;
 Solid-state transformations in the \b-form of chlorpropamide on
 cooling to 100K
;
_journal_coeditor_code           GP5041
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              163
_journal_page_last               176
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.260
_cell_angle_gamma                90.000
_cell_length_a                   14.5882
_cell_length_b                   9.2584
_cell_length_c                   19.1532
_exptl_crystal_F_000             1152.00
_reflns_d_resolution_high        0.8301
_cod_data_source_file            gp5041bIICPA200Ksup2.hkl
_cod_data_source_block           bIICPA200K
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' BCPA200-DUB1 IN P2/C'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            317.38
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 0 4 84879.66 83381.75 1703.18 o
0 0 6 100732.83 100769.66 2074.97 o
0 0 8 6852.98 7582.73 366.44 o
0 0 -10 3070.93 3298.39 783.53 o
0 0 -12 1879.30 1891.54 87.12 o
0 0 14 2382.36 2013.28 147.33 o
0 0 16 320.39 347.54 64.69 o
0 0 18 19.37 14.02 60.47 o
0 0 20 836.04 840.20 95.89 o
0 0 22 255.28 378.14 105.64 o
0 -1 2 0.49 8.12 21.78 o
0 -1 3 107.96 154.78 30.27 o
0 -1 4 0.92 8.14 34.29 o
0 -1 -5 1594.11 1578.77 47.00 o
0 1 6 5.10 19.71 38.08 o
0 -1 7 82.66 101.29 34.45 o
0 1 8 271.71 246.89 36.95 o
0 -1 9 1866.40 1922.49 122.69 o
0 1 10 278.31 236.46 48.95 o
0 1 11 20.40 27.30 44.57 o
0 -1 12 138.22 135.37 42.73 o
0 1 13 331.51 287.64 47.65 o
0 -1 14 4.50 10.86 46.35 o
0 -1 -15 129.19 88.31 59.24 o
0 -1 16 66.40 34.73 60.16 o
0 -1 17 0.06 9.55 54.06 o
0 1 18 35.27 62.59 48.74 o
0 1 19 1.59 20.69 54.30 o
0 1 20 21.89 18.91 69.78 o
0 1 -21 157.76 196.63 84.18 o
0 1 22 24.04 13.26 103.33 o
0 2 0 5794.74 5808.66 156.69 o
0 2 -1 31288.17 32263.60 608.32 o
0 -2 -2 88.85 82.69 37.25 o
0 -2 3 35513.73 34751.64 662.52 o
0 2 -4 4667.89 4505.87 210.41 o
0 2 -5 139.71 81.91 36.89 o
0 2 -6 627.16 642.47 51.78 o
0 -2 7 1318.16 1042.67 73.45 o
0 2 8 9320.02 10103.06 291.97 o
0 2 9 1484.09 1831.00 76.41 o
0 -2 10 323.99 308.81 94.66 o
0 -2 11 10.86 6.14 34.87 o
0 2 12 2763.71 2949.08 116.35 o
0 2 -13 131.00 166.30 47.38 o
0 2 14 3866.47 4353.97 177.61 o
0 2 15 8.89 39.32 51.24 o
0 -2 16 1517.05 1648.86 80.98 o
0 2 -17 18.84 15.31 34.32 o
0 -2 18 269.78 325.82 57.87 o
0 -2 19 23.42 70.19 66.89 o
0 -2 20 157.22 202.40 75.17 o
0 -2 -21 2.39 15.46 84.99 o
0 2 -22 0.36 40.77 97.62 o
0 -3 0 54.04 54.71 29.83 o
0 3 1 56.74 61.84 29.01 o
0 3 -2 24.30 22.92 29.54 o
0 -3 -3 52.27 85.67 42.57 o
0 -3 4 3.77 1.79 25.96 o
0 3 -5 45.82 59.54 38.34 o
0 3 -6 0.43 2.29 40.11 o
0 -3 -7 273.07 219.58 44.27 o
0 -3 -8 25.38 26.87 46.63 o
0 3 -9 0.71 2.50 30.76 o
0 -3 -10 13.12 14.23 49.13 o
0 -3 11 85.57 53.92 53.24 o
0 -3 12 6.86 14.72 58.34 o
0 -3 13 89.24 125.73 62.64 o
0 3 -14 149.43 149.85 65.29 o
0 3 15 0.06 18.03 63.09 o
0 3 -16 206.43 191.24 69.14 o
0 -3 17 87.81 128.68 69.10 o
0 -3 18 111.28 108.88 69.74 o
0 3 19 20.59 26.49 69.73 o
0 3 20 124.73 167.60 92.85 o
0 -3 21 45.89 62.24 89.33 o
0 -3 22 98.97 124.67 94.40 o
0 4 0 23312.96 25219.92 647.34 o
0 4 -1 1587.08 1716.58 54.43 o
0 4 -2 1648.20 1932.00 60.74 o
0 4 -3 1312.35 1600.58 96.57 o
0 4 4 3.44 5.04 30.31 o
0 4 -5 271.68 290.26 38.86 o
0 -4 6 13266.07 14495.81 589.94 o
0 -4 -7 1.77 13.57 38.54 o
0 4 8 2310.44 2184.95 67.45 o
0 4 -9 682.46 605.68 51.52 o
0 4 10 66.98 114.53 42.05 o
0 4 -11 2229.86 2321.48 414.89 o
0 4 -12 2243.54 2316.73 107.05 o
0 4 13 613.38 687.38 73.81 o
0 4 14 1138.67 1288.57 84.27 o
0 -4 15 1301.45 1455.62 87.80 o
0 4 16 19.19 53.43 67.89 o
0 4 17 3.60 16.55 71.25 o
0 -4 18 58.83 74.69 67.27 o
0 -4 19 204.55 199.41 89.47 o
0 -4 -20 249.18 271.75 93.94 o
0 -4 21 9.56 34.04 95.58 o
0 5 0 49.82 42.79 36.92 o
0 5 1 84.19 67.53 38.43 o
0 5 2 12.65 7.72 34.21 o
0 -5 -3 26.35 17.51 40.65 o
0 5 -4 0.64 2.77 46.37 o
0 -5 -5 202.42 279.53 52.47 o
0 -5 6 82.92 75.92 38.75 o
0 5 7 155.66 191.23 42.69 o
0 5 8 1.58 4.18 38.42 o
0 -5 -9 10.87 29.91 44.10 o
0 5 -10 677.78 747.33 58.20 o
0 5 -11 327.11 370.14 51.41 o
0 5 12 0.74 19.36 36.17 o
0 -5 13 146.58 144.44 64.90 o
0 -5 14 56.03 63.15 65.15 o
0 -5 15 13.81 38.86 66.01 o
0 5 -16 190.67 268.26 72.14 o
0 -5 17 267.78 235.94 77.01 o
0 5 -18 0.72 19.15 87.54 o
0 -5 -19 13.13 47.17 89.52 o
0 -5 -20 61.05 99.20 99.18 o
0 -6 0 3601.49 3817.17 218.01 o
0 6 -1 1054.51 1182.07 64.45 o
0 6 2 52.54 42.76 47.30 o
0 -6 3 6231.81 6824.68 318.39 o
0 6 4 2048.23 2035.87 108.55 o
0 6 -5 34.40 53.66 58.38 o
0 -6 -6 209.96 311.32 62.59 o
0 -6 7 376.85 560.06 74.73 o
0 6 -8 199.48 215.82 55.52 o
0 -6 -9 156.08 162.97 40.86 o
0 -6 10 337.28 427.12 56.16 o
0 6 11 547.47 495.74 61.51 o
0 6 -12 623.99 602.43 56.21 o
0 6 -13 278.65 328.09 51.74 o
0 6 -14 48.41 56.63 60.37 o
0 6 -15 35.13 37.38 64.59 o
0 -6 16 54.53 56.87 71.13 o
0 6 17 57.84 43.64 75.41 o
0 6 18 34.11 25.32 90.96 o
0 6 19 23.98 19.81 95.51 o
0 7 0 0.86 1.24 34.17 o
0 -7 -1 1.02 5.96 55.22 o
0 -7 2 15.52 6.31 54.05 o
0 -7 -3 87.51 88.55 51.74 o
0 -7 4 35.79 46.45 43.55 o
0 -7 5 255.78 259.36 54.63 o
0 -7 -6 12.67 23.17 53.65 o
0 -7 -7 33.97 21.18 57.89 o
0 -7 8 27.38 58.91 58.11 o
0 -7 9 499.82 538.96 62.82 o
0 7 -10 78.18 72.70 64.96 o
0 7 11 2.57 -5.21 67.51 o
0 -7 -12 1.30 8.26 54.96 o
0 -7 13 134.15 129.68 56.63 o
0 -7 14 0.21 22.11 75.54 o
0 -7 -15 0.02 7.86 80.55 o
0 -7 16 85.65 57.67 89.46 o
0 7 -17 52.61 53.07 92.28 o
0 -8 0 1349.08 1221.76 90.57 o
0 8 -1 28.07 15.99 37.35 o
0 8 -2 167.60 145.74 66.60 o
0 8 -3 1465.43 1340.71 110.21 o
0 -8 4 3824.44 3620.06 225.01 o
0 -8 5 15.48 26.24 43.73 o
0 -8 -6 124.19 132.04 53.20 o
0 8 -7 113.59 113.61 55.98 o
0 -8 -8 926.66 1077.52 113.20 o
0 -8 9 373.11 366.41 74.50 o
0 -8 -10 148.08 178.39 75.59 o
0 -8 11 30.25 53.54 72.78 o
0 -8 -12 274.39 364.38 82.22 o
0 -8 13 40.62 48.91 87.72 o
0 8 14 391.68 428.02 96.87 o
0 -8 15 85.33 76.46 95.75 o
0 -8 -16 12.85 5.08 96.60 o
0 -9 0 9.78 16.89 83.59 o
0 -9 1 10.65 8.27 83.32 o
0 9 2 11.57 20.70 61.34 o
0 9 -3 2.27 11.99 73.36 o
0 9 -4 24.96 23.80 78.44 o
0 -9 5 1.59 17.94 76.38 o
0 9 -6 46.72 46.03 76.28 o
0 9 -7 30.79 15.82 73.82 o
0 -9 8 38.96 30.27 75.77 o
0 -9 -9 28.47 52.39 78.77 o
0 -9 -10 45.00 85.04 77.43 o
0 -9 -11 72.19 85.82 83.07 o
0 9 12 42.91 3.44 92.18 o
0 -9 13 52.17 89.64 96.63 o
0 10 0 5.81 30.79 100.21 o
0 10 -1 136.44 152.23 94.23 o
0 10 2 0.62 25.16 100.99 o
0 -10 -3 564.78 553.54 101.69 o
0 -10 -4 259.17 371.22 99.61 o
0 10 5 21.32 23.40 99.01 o
0 10 6 141.19 99.26 94.46 o
0 -10 -7 128.15 142.27 90.45 o
0 -10 -8 420.08 447.88 96.77 o
0 -10 9 1.21 12.07 93.83 o
0 10 10 4.20 16.43 94.32 o
0 -11 0 0.01 37.51 107.02 o
0 -11 -1 0.13 5.22 104.86 o
0 11 2 0.15 16.63 105.91 o
0 -11 3 10.11 -12.09 109.56 o
1 0 -22 68.00 112.72 114.35 o
1 0 -20 44.46 81.78 101.78 o
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-1 0 16 99.31 95.05 74.43 o
-1 0 14 289.28 277.71 73.46 o
-1 0 12 313.19 322.39 53.73 o
-1 0 10 876.25 837.62 221.53 o
-1 0 8 4669.12 5377.65 202.32 o
-1 0 6 480.31 415.34 58.65 o
1 0 -4 18883.60 19702.89 1145.53 o
1 0 4 24774.17 24981.69 2461.40 o
1 0 6 2062.76 1745.57 250.38 o
1 0 8 10602.97 11375.67 779.20 o
1 0 10 3718.62 3861.82 377.56 o
1 0 12 1345.00 1361.50 89.10 o
1 0 14 1158.75 1222.19 143.91 o
1 0 16 428.64 466.53 69.25 o
1 0 18 20.31 41.58 71.97 o
1 0 20 56.39 76.02 112.31 o
1 0 22 19.77 24.22 113.31 o
-1 1 22 134.98 265.28 109.16 o
-1 1 21 26.88 30.77 112.74 o
1 -1 -20 695.12 748.36 107.14 o
1 1 -19 41.35 27.97 78.02 o
1 -1 -18 122.22 125.68 62.23 o
-1 -1 17 89.22 62.13 46.78 o
-1 -1 16 151.48 175.14 59.45 o
-1 1 15 454.57 361.28 59.32 o
-1 -1 14 2015.96 2405.71 168.82 o
1 -1 -13 886.29 897.86 70.89 o
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1 -1 -10 1675.28 1996.61 171.53 o
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-1 1 7 9521.32 10340.35 665.66 o
1 -1 -6 4730.75 5541.96 400.12 o
1 -1 -5 4481.14 4550.68 268.93 o
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1 -1 -3 128.15 96.61 40.96 o
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1 1 -1 11386.52 11160.99 851.43 o
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1 -1 2 2153.88 1912.82 194.50 o
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1 -1 4 745.58 724.60 146.91 o
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1 2 -18 154.98 136.56 53.12 o
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1 2 -13 69.89 49.22 57.57 o
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1 -2 -10 3486.68 3614.52 308.55 o
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1 -2 -4 17824.98 18642.26 2646.23 o
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1 2 -2 26840.61 27680.76 4047.51 o
1 -2 -1 3398.56 3464.47 562.55 o
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1 2 1 3631.96 3712.52 581.03 o
1 -2 2 27372.86 27731.90 3605.24 o
1 -2 3 6.75 4.25 45.91 o
1 -2 4 22047.78 21289.76 2390.46 o
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-1 2 -6 129.28 111.63 48.67 o
1 -2 7 3800.13 4688.03 418.99 o
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-1 -2 -10 1755.15 1821.69 153.38 o
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-1 -2 -12 616.82 649.78 61.12 o
-1 -2 -13 301.74 302.17 70.51 o
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1 -2 15 276.60 284.82 60.21 o
1 2 16 648.29 548.63 77.30 o
1 -2 17 18.16 15.96 57.63 o
1 2 18 384.37 396.78 106.00 o
-1 -2 -19 5.73 20.82 95.00 o
1 2 20 342.52 425.96 131.94 o
1 2 21 40.84 80.38 97.76 o
-1 2 -22 160.39 160.51 124.71 o
1 3 -22 16.95 55.95 111.37 o
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-1 3 18 219.03 263.78 76.23 o
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1 3 -13 94.01 71.36 37.90 o
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1 3 20 28.34 18.13 113.12 o
1 3 21 3.24 28.58 119.02 o
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1 -4 -18 33.97 53.84 80.46 o
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1 4 -10 217.95 209.09 70.90 o
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1 -5 3 298.16 294.72 43.27 o
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