#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:41:39 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181081 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/61/2216145.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_2216145_Fobs
loop_
_publ_author_name
'Abou, Akoun'
'Bany, Guy E.'
'Kakou-Yao, Rita'
'Seikou, Tour\'e'
'Ebby, N'D\'ed\'e'
_publ_section_title
;
 2-Methylsulfanyl-1-(morpholin-4-ylmethyl)-1<i>H</i>-benzimidazole
;
_journal_coeditor_code           TK2195
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4218
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             07-09-14
_audit_creation_method           CRYSTALS
_cell_angle_alpha                75.475(1)
_cell_angle_beta                 84.808(1)
_cell_angle_gamma                76.251(2)
_cell_length_a                   6.2461(2)
_cell_length_b                   9.7949(2)
_cell_length_c                   11.6966(5)
_cod_data_source_file            tk2195Isup2.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 41357.60 45437.51 733.80 o
3 0 0 63542.00 64207.10 1228.50 o
4 0 0 15340.40 15656.60 220.10 o
5 0 0 15604.80 16008.64 236.60 o
6 0 0 3281.90 3023.65 74.40 o
7 0 0 823.60 833.46 39.30 o
8 0 0 203.20 250.27 51.70 o
-8 1 0 218.10 188.58 52.20 o
-7 1 0 785.10 792.91 38.40 o
-6 1 0 179.40 199.61 16.80 o
-5 1 0 7098.80 6283.40 111.70 o
-4 1 0 3455.90 4186.50 58.10 o
-3 1 0 21639.60 19404.36 390.70 o
0 1 0 -8.20 0.00 2.80 x
1 1 0 94.70 0.00 6.90 x
2 1 0 4913.20 6046.78 108.10 o
3 1 0 61870.10 65224.61 2524.90 o
5 1 0 4682.10 5155.94 90.20 o
6 1 0 661.10 525.49 27.60 o
7 1 0 1799.10 1306.28 58.60 o
8 1 0 1521.00 1263.50 100.40 o
-8 2 0 331.20 367.61 65.90 o
-7 2 0 1440.20 1437.38 59.20 o
-6 2 0 1027.60 1031.69 36.90 o
-5 2 0 171.40 68.00 15.40 o
-4 2 0 5835.90 5544.06 95.60 o
-3 2 0 44723.00 47835.16 760.00 o
-2 2 0 51555.61 50401.52 827.70 o
2 2 0 34575.50 35935.44 664.00 o
3 2 0 14703.00 12227.16 266.50 o
4 2 0 8317.70 8389.55 138.00 o
5 2 0 7942.00 8354.13 136.60 o
6 2 0 3966.00 4419.01 75.40 o
7 2 0 358.40 334.99 40.10 o
8 2 0 601.00 375.89 62.00 o
-7 3 0 160.90 147.61 41.10 o
-6 3 0 1248.40 1213.23 40.00 o
-5 3 0 199.90 71.45 20.70 o
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0 3 0 219.00 256.91 17.50 o
3 3 0 1303.60 1041.50 26.70 o
5 3 0 656.50 517.15 19.80 o
6 3 0 302.60 406.91 21.70 o
7 3 0 949.20 881.24 53.80 o
8 3 0 19.50 51.85 38.90 o
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0 4 0 103380.99 104399.20 2794.00 o
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2 4 0 15821.40 16448.62 311.30 o
3 4 0 37977.90 32994.44 675.20 o
4 4 0 14027.30 16019.39 243.90 o
5 4 0 56310.80 58963.12 1441.10 o
6 4 0 10358.00 10944.12 177.40 o
7 4 0 1298.80 926.69 64.20 o
8 4 0 30.70 10.06 50.90 o
-7 5 0 21.80 40.39 61.20 o
-6 5 0 392.90 400.13 49.60 o
-5 5 0 1399.60 1663.19 52.80 o
-4 5 0 8600.30 8542.07 165.10 o
-3 5 0 1989.10 1399.67 43.20 o
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-1 5 0 28483.10 27885.72 495.60 o
0 5 0 1235.40 1602.77 39.10 o
1 5 0 38112.40 37627.34 716.20 o
4 5 0 1840.20 1865.99 39.40 o
5 5 0 12607.70 12401.59 185.70 o
6 5 0 12495.60 12831.59 230.90 o
7 5 0 4233.50 4478.77 154.50 o
8 5 0 1541.00 1730.55 84.50 o
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-4 6 0 1071.30 1277.37 38.30 o
-3 6 0 25877.60 26823.38 469.30 o
-2 6 0 30261.10 31970.42 505.10 o
-1 6 0 323.50 278.51 17.60 o
0 6 0 114.80 230.79 15.20 o
1 6 0 42915.90 46634.99 772.40 o
2 6 0 15681.40 18285.38 305.60 o
3 6 0 9640.70 9392.80 149.10 o
4 6 0 96.20 118.27 13.60 o
5 6 0 10640.60 11364.40 203.40 o
6 6 0 2512.60 2608.21 61.90 o
7 6 0 411.20 437.89 39.80 o
8 6 0 103.20 7.78 60.40 o
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0 7 0 5030.20 5341.94 100.70 o
1 7 0 17829.30 18149.99 310.90 o
2 7 0 2968.90 2954.18 51.60 o
3 7 0 28148.30 28379.08 550.50 o
4 7 0 10074.10 10320.96 172.40 o
5 7 0 11153.40 11411.75 207.60 o
6 7 0 2348.30 2070.71 77.40 o
7 7 0 478.80 397.67 39.20 o
8 7 0 557.80 438.58 62.30 o
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-1 8 0 234.90 362.70 21.70 o
0 8 0 3336.50 3046.92 77.80 o
1 8 0 5107.10 5885.36 104.00 o
2 8 0 16847.10 17814.29 262.10 o
3 8 0 3328.20 2771.44 66.00 o
4 8 0 1789.50 2231.11 42.70 o
5 8 0 1570.10 1803.83 45.50 o
6 8 0 487.30 332.84 28.40 o
7 8 0 1366.30 1254.19 63.90 o
-4 9 0 128.00 34.38 76.90 o
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0 9 0 585.10 544.50 32.70 o
1 9 0 7576.10 7621.98 144.10 o
2 9 0 1021.60 874.34 26.00 o
3 9 0 5090.50 5094.61 99.80 o
4 9 0 20859.70 20894.11 389.80 o
5 9 0 200.80 155.35 19.30 o
6 9 0 2816.40 2759.59 124.90 o
7 9 0 2291.70 2342.32 88.00 o
-4 10 0 4.20 13.18 51.40 o
-3 10 0 370.40 529.40 53.80 o
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0 10 0 380.90 335.09 38.60 o
1 10 0 3303.30 3157.75 82.60 o
2 10 0 14708.40 14087.61 338.90 o
3 10 0 41.20 29.70 25.40 o
4 10 0 659.90 741.04 35.50 o
5 10 0 533.00 397.03 38.80 o
6 10 0 573.00 564.78 51.20 o
7 10 0 81.70 63.82 59.20 o
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-1 11 0 2758.20 2631.40 191.90 o
0 11 0 2050.90 2057.93 73.90 o
1 11 0 2853.00 2907.65 82.40 o
2 11 0 497.60 552.18 41.30 o
3 11 0 1943.00 1668.65 65.30 o
4 11 0 9590.70 9873.96 249.50 o
5 11 0 536.50 622.91 60.00 o
6 11 0 494.50 645.15 65.00 o
-1 12 0 3436.50 3418.81 121.50 o
0 12 0 3120.40 2937.50 103.10 o
1 12 0 62.80 149.23 40.20 o
2 12 0 3880.80 3601.89 139.20 o
3 12 0 480.30 484.63 52.20 o
4 12 0 71.40 43.89 45.20 o
5 12 0 10.50 0.30 71.30 o
0 13 0 17.30 523.33 124.00 o
1 13 0 189.40 47.24 131.30 o
3 13 0 1608.70 1470.96 209.30 o
-2 -13 1 488.30 682.46 54.60 o
-5 -12 1 4238.90 4182.25 146.80 o
-4 -12 1 898.00 1215.05 73.50 o
-3 -12 1 496.70 512.35 56.70 o
-2 -12 1 7074.50 6646.95 244.50 o
-1 -12 1 2383.20 2308.51 107.00 o
0 -12 1 4017.00 3764.06 159.90 o
1 -12 1 564.80 637.35 53.40 o
-6 -11 1 141.50 2.76 72.30 o
-5 -11 1 247.10 127.83 54.20 o
-4 -11 1 -58.20 11.41 43.40 o
-3 -11 1 1681.20 1615.73 80.80 o
-2 -11 1 7131.60 7124.66 227.30 o
-1 -11 1 4692.10 4710.85 175.20 o
0 -11 1 166.60 145.21 31.60 o
1 -11 1 340.50 329.79 56.80 o
2 -11 1 401.40 501.13 55.00 o
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-5 -10 1 3.40 15.11 41.70 o
-4 -10 1 10650.70 10678.54 232.20 o
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-2 -10 1 -2.20 79.23 27.10 o
-1 -10 1 1506.90 1453.65 69.40 o
0 -10 1 3147.50 3125.64 97.80 o
1 -10 1 9489.20 8683.33 304.40 o
2 -10 1 8715.80 8038.79 267.40 o
3 -10 1 378.10 356.16 59.50 o
4 -10 1 1378.10 1468.68 92.50 o
-7 -9 1 67.10 10.91 39.20 o
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0 -9 1 12402.40 11554.38 238.00 o
1 -9 1 667.90 684.15 49.00 o
2 -9 1 59.90 74.00 44.50 o
3 -9 1 2172.00 2135.81 89.90 o
4 -9 1 900.60 809.13 58.60 o
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-6 -8 1 226.80 304.20 40.50 o
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0 -8 1 7972.30 8348.89 172.20 o
1 -8 1 957.40 1097.02 34.20 o
2 -8 1 18787.60 18833.65 329.60 o
3 -8 1 5048.20 5519.90 178.80 o
4 -8 1 251.20 227.03 49.00 o
5 -8 1 810.70 853.99 71.70 o
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-4 -7 1 13547.10 15215.95 229.30 o
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-1 -7 1 35.40 2.36 16.60 o
0 -7 1 58919.40 58763.82 1703.00 o
1 -7 1 4416.90 4579.03 76.00 o
2 -7 1 81.00 105.66 20.30 o
3 -7 1 6.80 21.07 21.40 o
4 -7 1 145.80 75.19 46.70 o
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1 5 15 371.40 339.61 50.50 o
2 5 15 272.30 315.79 51.90 o
3 5 15 179.00 172.01 79.60 o
4 5 15 45.50 46.57 51.80 o
-1 6 15 -79.60 33.53 89.70 o
0 6 15 186.30 308.98 89.70 o
1 6 15 68.30 10.10 35.40 o
2 6 15 259.70 261.32 40.40 o
3 6 15 1325.10 1445.61 67.00 o
4 6 15 11.60 57.67 50.60 o
0 7 15 956.90 1082.05 164.90 o
1 7 15 523.20 563.32 61.00 o
2 7 15 232.60 310.19 38.20 o
3 7 15 318.40 418.89 51.30 o
0 8 15 242.00 210.88 108.20 o
1 8 15 66.60 102.68 61.90 o
2 8 15 1855.80 2277.94 69.00 o
3 8 15 132.30 144.45 44.40 o
0 1 16 393.20 579.92 76.20 o
1 1 16 114.40 149.38 99.30 o
-1 2 16 -93.90 4.20 68.60 o
0 2 16 201.90 218.41 54.20 o
1 2 16 821.80 898.53 68.50 o
2 2 16 91.70 116.75 46.50 o
0 3 16 1.90 17.70 53.80 o
1 3 16 13.60 3.39 50.50 o
2 3 16 163.80 184.32 45.60 o
0 4 16 279.00 322.78 69.70 o
1 4 16 102.50 205.11 73.50 o
2 4 16 29.80 0.26 35.80 o
0 5 16 88.10 321.37 56.00 o
1 5 16 179.10 454.14 79.60 o
2 5 16 241.70 274.46 65.10 o
1 6 16 57.90 31.74 81.90 o
2 6 16 50.80 120.84 59.20 o