#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:50:49 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181106 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/86/2218699.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_2218699_Fobs
loop_
_publ_author_name
'Johnston, Andrea'
'Florence, Alastair J.'
'Fabbiani, Francesca J. A.'
'Shankland, Kenneth'
'Bedford, Colin T.'
_publ_section_title
;
 Cytenamide--butyric acid (1/1)
;
_journal_coeditor_code           GK2147
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1295
_journal_page_last               o1296
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             07-10-22
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 98.046(2)
_cell_angle_gamma                90
_cell_length_a                   5.9351
_cell_length_b                   16.3595
_cell_length_c                   17.6738
_cod_data_source_file            gk2147Isup2.hkl
_cod_data_source_block           I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
2 0 0 56904.85 56447.14 523.14 o
4 0 0 -0.89 14.54 35.81 o
6 0 0 2239.68 2108.46 182.16 o
1 1 0 4304.74 3830.60 40.37 o
2 1 0 42540.30 42144.86 334.44 o
3 1 0 -12.55 20.73 49.12 o
4 1 0 25130.96 24238.14 254.91 o
5 1 0 -13.41 39.26 113.09 o
6 1 0 16100.98 15269.82 189.38 o
7 1 0 741.60 614.11 143.18 o
1 2 0 10212.63 9777.33 92.05 o
2 2 0 147.46 158.59 17.59 o
3 2 0 54016.39 51746.46 495.06 o
4 2 0 6484.68 6917.63 114.26 o
5 2 0 2217.77 2108.66 68.14 o
6 2 0 694.19 695.95 82.31 o
7 2 0 933.13 958.92 146.36 o
1 3 0 15594.38 15515.95 154.71 o
2 3 0 91351.65 89051.34 765.80 o
3 3 0 19095.39 19505.78 159.69 o
4 3 0 294.62 406.31 30.06 o
5 3 0 1605.19 1662.31 69.04 o
6 3 0 39.31 17.37 74.02 o
7 3 0 264.80 121.60 146.89 o
0 4 0 192884.91 198174.28 3069.70 o
1 4 0 30083.57 30732.96 297.64 o
2 4 0 42.26 60.85 25.23 o
3 4 0 3.45 112.17 15.03 o
4 4 0 490.94 594.78 38.15 o
5 4 0 15.63 25.31 22.93 o
6 4 0 51.17 91.95 74.03 o
7 4 0 11.06 11.61 130.70 o
1 5 0 79765.59 80624.54 853.85 o
2 5 0 13377.18 12453.00 139.15 o
3 5 0 6276.78 6038.97 85.67 o
4 5 0 6469.21 6592.53 113.65 o
5 5 0 1103.65 1120.16 58.91 o
6 5 0 969.95 940.21 98.09 o
7 5 0 281.28 225.39 157.37 o
0 6 0 175.79 385.58 33.76 o
1 6 0 11811.46 10894.40 118.99 o
2 6 0 12432.42 12394.41 128.32 o
3 6 0 367.54 379.27 34.39 o
4 6 0 1641.38 1967.91 68.02 o
5 6 0 267.12 209.72 61.74 o
6 6 0 1047.65 1153.69 125.12 o
7 6 0 4.76 1.98 118.16 o
1 7 0 2482.10 2390.83 53.79 o
2 7 0 6189.75 6289.41 82.63 o
3 7 0 9058.97 8882.83 172.18 o
4 7 0 5342.67 5170.20 97.92 o
5 7 0 445.86 442.32 71.18 o
6 7 0 359.84 365.48 115.80 o
7 7 0 -4.46 13.43 345.66 o
0 8 0 22814.72 21811.28 299.50 o
1 8 0 33974.60 32174.34 470.09 o
2 8 0 10963.93 11874.05 155.16 o
3 8 0 149.61 164.15 50.65 o
4 8 0 2174.34 2434.11 82.17 o
5 8 0 2733.04 2851.44 80.41 o
6 8 0 90.29 52.23 161.13 o
7 8 0 658.37 852.80 612.92 o
1 9 0 1585.44 1169.88 73.45 o
2 9 0 24190.39 24212.60 249.54 o
3 9 0 9128.17 9392.71 226.75 o
4 9 0 278.89 326.75 71.09 o
5 9 0 4729.41 4976.57 102.59 o
6 9 0 3623.66 3175.01 175.78 o
0 10 0 1649.74 1705.19 221.21 o
1 10 0 2964.54 3382.13 116.31 o
2 10 0 24483.30 24672.18 294.25 o
3 10 0 84.09 67.67 52.52 o
4 10 0 12516.22 11795.29 194.84 o
5 10 0 1832.01 2095.04 115.47 o
6 10 0 260.60 89.69 179.06 o
1 11 0 43.85 7.68 50.58 o
2 11 0 54.51 7.78 47.13 o
3 11 0 22269.57 23091.54 287.85 o
4 11 0 345.55 284.99 101.71 o
5 11 0 543.94 692.89 123.42 o
6 11 0 1459.29 1294.58 239.19 o
0 12 0 339.56 288.90 256.01 o
1 12 0 12266.29 12939.66 259.62 o
2 12 0 2953.71 2973.85 89.09 o
3 12 0 10300.17 10413.82 349.10 o
4 12 0 1380.19 1269.17 97.26 o
5 12 0 56.29 9.57 185.32 o
6 12 0 211.86 5.26 214.38 o
1 13 0 130.37 7.89 90.72 o
2 13 0 5066.02 4968.81 112.08 o
3 13 0 944.74 691.40 98.98 o
4 13 0 3437.11 3808.74 125.61 o
5 13 0 2584.30 2720.65 222.41 o
0 14 0 281.97 583.56 267.44 o
1 14 0 4862.71 5172.96 143.09 o
2 14 0 1954.83 1818.45 89.00 o
3 14 0 259.30 338.16 113.74 o
4 14 0 128.69 13.05 144.24 o
5 14 0 1291.15 1011.59 186.77 o
1 15 0 760.26 934.55 110.79 o
2 15 0 1075.66 1143.44 95.33 o
3 15 0 742.54 895.40 133.83 o
4 15 0 226.68 147.93 141.97 o
5 15 0 270.05 123.85 207.84 o
0 16 0 1345.28 1379.97 353.76 o
1 16 0 11656.11 11008.00 241.05 o
2 16 0 4016.45 4114.52 127.05 o
3 16 0 15.03 34.19 96.66 o
4 16 0 1969.12 2040.19 173.20 o
5 16 0 114.30 82.28 219.01 o
1 17 0 2349.75 1999.32 138.95 o
2 17 0 669.89 397.13 145.99 o
3 17 0 271.05 99.82 165.61 o
4 17 0 554.99 610.29 180.55 o
5 17 0 530.12 530.19 819.52 o
0 18 0 -36.05 6.06 206.56 o
1 18 0 1201.41 1183.14 141.57 o
2 18 0 1063.82 1026.10 149.39 o
3 18 0 845.01 821.48 190.24 o
4 18 0 2372.16 2239.21 677.13 o
1 19 0 1165.87 1056.74 149.61 o
2 19 0 806.51 578.23 188.27 o
3 19 0 -9.38 105.46 67.58 o
0 20 0 7059.71 5959.56 265.61 o
1 20 0 917.58 843.05 173.05 o
2 20 0 1376.65 1299.35 306.16 o
3 20 0 176.79 16.02 673.18 o
1 21 0 92.24 73.66 703.01 o
2 21 0 226.44 100.54 669.00 o
-7 0 1 34.12 0.15 176.76 o
-5 0 1 694.85 576.32 118.25 o
-3 0 1 6215.68 6046.76 88.73 o
-1 0 1 183635.70 185365.56 3040.60 o
1 0 1 218898.98 223830.62 2201.30 o
3 0 1 9583.40 9354.69 121.83 o
5 0 1 89.60 124.35 75.47 o
7 0 1 231.17 67.28 214.57 o
-7 1 1 245.52 194.79 120.05 o
-6 1 1 589.45 770.23 81.11 o
-5 1 1 12066.39 11027.58 157.80 o
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-3 1 1 4542.17 4296.90 55.06 o
-2 1 1 818.68 879.06 23.36 o
-1 1 1 240.79 336.25 26.45 o
1 1 1 26023.30 25581.96 213.82 o
2 1 1 37745.58 37489.11 298.73 o
3 1 1 31535.64 29802.52 257.78 o
4 1 1 35.85 42.86 24.02 o
5 1 1 275.45 330.70 57.79 o
6 1 1 321.41 424.48 81.23 o
7 1 1 4237.82 4452.79 184.72 o
-7 2 1 0.37 78.08 57.06 o
-6 2 1 864.32 1044.29 90.12 o
-5 2 1 83.65 146.50 47.72 o
-4 2 1 7678.53 8272.16 117.83 o
-3 2 1 3.10 39.53 15.47 o
-2 2 1 833.78 953.15 29.12 o
-1 2 1 210225.69 207040.61 2071.40 o
0 2 1 2705.49 2778.89 54.06 o
1 2 1 20248.03 19790.36 161.52 o
2 2 1 25203.62 26065.89 207.82 o
3 2 1 24761.51 24223.15 229.50 o
4 2 1 2434.96 2133.16 50.28 o
5 2 1 79.55 160.56 53.24 o
6 2 1 2023.36 2198.32 94.15 o
7 2 1 141.28 37.09 154.34 o
-7 3 1 2560.10 2605.60 139.65 o
-6 3 1 4.64 26.83 29.98 o
-5 3 1 19.73 2.25 22.76 o
-4 3 1 1207.41 1149.30 30.43 o
-3 3 1 1129.63 1028.95 33.59 o
-2 3 1 4341.79 4221.64 63.48 o
-1 3 1 133498.91 135204.95 1144.90 o
0 3 1 2899.97 2902.93 36.28 o
1 3 1 34171.32 34652.68 417.39 o
2 3 1 2654.83 2940.67 42.13 o
3 3 1 3314.55 3093.37 52.84 o
4 3 1 20384.00 19718.07 189.15 o
5 3 1 4047.22 4054.52 100.75 o
6 3 1 142.13 168.01 93.24 o
7 3 1 277.07 132.48 146.98 o
-7 4 1 268.04 74.58 152.03 o
-6 4 1 466.17 620.04 99.78 o
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0 4 1 271234.97 277971.12 2611.30 o
1 4 1 84989.77 83381.46 747.26 o
2 4 1 54872.61 51439.74 452.27 o
3 4 1 521.48 318.96 31.96 o
4 4 1 786.16 787.48 42.88 o
5 4 1 4347.17 4252.66 142.87 o
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7 4 1 357.82 277.22 153.57 o
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0 5 1 196.59 98.66 21.38 o
1 5 1 23469.49 23723.32 362.13 o
2 5 1 11089.67 10003.93 164.64 o
3 5 1 -5.07 19.20 21.00 o
4 5 1 96.59 65.38 38.54 o
5 5 1 1465.50 1669.71 71.99 o
6 5 1 436.68 400.59 95.08 o
7 5 1 100.79 21.29 173.77 o
-7 6 1 154.25 153.32 134.95 o
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0 6 1 1930.04 2013.16 31.33 o
1 6 1 22041.40 23117.99 241.29 o
2 6 1 72003.93 71346.13 955.61 o
3 6 1 61.66 5.36 33.37 o
4 6 1 5623.89 6019.11 89.13 o
5 6 1 813.28 999.24 77.68 o
6 6 1 -9.86 6.31 174.84 o
7 6 1 129.67 351.52 198.69 o
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0 7 1 32340.05 31776.17 438.91 o
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3 10 1 101.51 51.16 51.68 o
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1 12 1 666.30 505.45 100.86 o
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