#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/84/2218466.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_2218466_Fobs
loop_
_publ_author_name
'Veidis, Mikelis V.'
'Orola, Liana'
'Arajs, Reinis'
_publ_section_title
;
N-(2,6-Dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium
chloride monohydrate
;
_journal_coeditor_code LH2620
_journal_issue 6
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first o1062
_journal_volume 64
_journal_year 2008
_space_group_IT_number 14
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_audit_creation_date 07-11-14
_audit_creation_method CRYSTALS
_cell_angle_alpha 90
_cell_angle_beta 109.210(2)
_cell_angle_gamma 90
_cell_length_a 13.4546
_cell_length_b 8.6547
_cell_length_c 12.7732
_[local]_cod_data_source_file lh2620Isup2.hkl
_[local]_cod_data_source_block I
loop_
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_refln_index_k
_refln_index_l
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_refln_F_squared_calc
_refln_F_squared_sigma
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2 0 0 349411.00 0.00 3497.54 x
3 0 0 575921.00 624079.38 5582.94 o
4 0 0 183803.02 209024.41 937.95 o
5 0 0 106595.99 108109.85 819.75 o
6 0 0 62862.60 62766.15 711.57 o
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8 0 0 45066.09 51069.75 498.57 o
9 0 0 187409.33 200923.72 685.80 o
10 0 0 13954.98 14989.55 219.92 o
11 0 0 168315.61 179126.80 753.04 o
12 0 0 218.61 363.81 169.44 <
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14 0 0 685.25 747.86 136.38 o
15 0 0 337.60 370.56 124.50 o
1 1 0 113344.01 0.00 476.03 x
2 1 0 66433.09 0.00 478.15 x
3 1 0 5079.57 6407.27 151.25 o
4 1 0 201010.50 224004.23 1071.69 o
5 1 0 110387.67 114270.47 866.53 o
6 1 0 74990.40 78043.70 786.71 o
7 1 0 14179.17 16388.52 258.35 o
8 1 0 27242.03 29648.88 371.16 o
9 1 0 47641.04 47522.18 371.46 o
10 1 0 69.07 14.09 159.00 <
11 1 0 20341.41 21786.88 269.30 o
12 1 0 6978.54 6439.17 183.96 o
13 1 0 27213.18 28019.38 293.25 o
14 1 0 425.06 479.05 140.66 o
15 1 0 8336.37 8095.79 129.13 o
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1 2 0 322.60 12.14 92.96 o
2 2 0 130025.83 132444.97 718.12 o
3 2 0 529.78 418.06 122.28 o
4 2 0 23823.83 23282.79 334.92 o
5 2 0 16135.04 17737.12 307.17 o
6 2 0 14350.43 12552.41 261.33 o
7 2 0 8701.10 9932.14 256.50 o
8 2 0 3951.83 4467.65 155.31 o
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10 2 0 30847.81 31802.82 327.52 o
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12 2 0 1887.56 2569.63 166.58 o
13 2 0 6502.73 6025.06 169.55 o
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15 2 0 4.48 8.94 83.12 <
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2 3 0 268223.97 255197.70 1202.79 o
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5 3 0 20709.09 21194.35 311.71 o
6 3 0 163915.59 168225.88 864.01 o
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8 3 0 64359.14 68900.08 434.90 o
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10 3 0 3750.03 3367.35 146.10 o
11 3 0 4986.11 5257.50 152.67 o
12 3 0 353.61 243.46 156.92 o
13 3 0 24150.19 24457.04 258.43 o
14 3 0 30.48 71.91 146.89 <
15 3 0 18378.70 21610.86 159.58 o
0 4 0 100077.38 99488.92 861.13 o
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2 4 0 111969.50 113323.38 934.86 o
3 4 0 67139.08 62231.15 503.48 o
4 4 0 10891.54 7658.38 213.06 o
5 4 0 97892.52 93830.86 658.75 o
6 4 0 26901.92 19205.26 340.26 o
7 4 0 119.49 10.13 142.38 <
8 4 0 31479.15 32660.03 321.51 o
9 4 0 274.16 98.98 154.85 <
10 4 0 5158.60 5195.70 157.69 o
11 4 0 13389.79 13298.93 216.29 o
12 4 0 1230.53 1560.16 154.62 o
13 4 0 4719.03 5057.03 142.02 o
14 4 0 1449.71 1484.56 99.93 o
1 5 0 332.85 598.05 188.48 <
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3 5 0 133695.08 129584.66 679.52 o
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5 5 0 12042.39 12644.08 189.15 o
6 5 0 11757.11 11849.45 189.82 o
7 5 0 2211.78 2110.80 142.69 o
8 5 0 45881.63 45168.97 381.15 o
9 5 0 19191.94 18720.06 262.14 o
10 5 0 3977.26 3894.49 142.27 o
11 5 0 16595.69 15428.50 227.98 o
12 5 0 9396.44 8952.56 172.77 o
13 5 0 2658.81 2190.19 141.52 o
0 6 0 3943.07 5523.19 122.34 o
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5 6 0 1012.67 708.72 150.11 o
6 6 0 14439.37 14319.18 220.86 o
7 6 0 222.79 127.76 142.95 <
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10 6 0 23869.16 22499.31 272.60 o
11 6 0 11808.36 11036.42 181.10 o
12 6 0 6016.89 5544.94 139.86 o
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2 7 0 34040.20 33533.43 326.59 o
3 7 0 37920.40 38546.23 360.27 o
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5 7 0 21930.23 22412.67 280.61 o
6 7 0 222.30 252.33 146.18 <
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10 7 0 25548.14 23560.96 245.66 o
11 7 0 10756.10 8876.64 142.49 o
0 8 0 47.56 46.83 127.55 <
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1 9 0 169.62 0.15 222.83 <
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3 9 0 3827.53 3976.62 137.95 o
4 9 0 17661.08 16699.20 206.35 o
5 9 0 17300.20 16902.79 191.37 o
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2 10 0 752.56 910.93 115.35 o
3 10 0 22325.20 20682.91 188.20 o
4 10 0 2159.30 2124.44 61.46 o
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-1 1 1 1336.50 0.00 56.55 x
0 1 1 31166.93 0.00 226.26 x
1 1 1 119091.30 0.00 823.56 x
2 1 1 186192.41 177794.95 1333.71 o
3 1 1 494.10 77.71 61.80 o
4 1 1 6038.64 6271.39 147.43 o
5 1 1 15098.00 13224.71 334.75 o
6 1 1 101280.50 107745.18 942.66 o
7 1 1 15600.13 14302.21 273.94 o
8 1 1 117350.57 123541.95 541.60 o
9 1 1 207.12 11.84 186.03 <
10 1 1 11120.11 10861.10 198.85 o
11 1 1 1297.57 1851.33 173.87 o
12 1 1 4592.39 4222.80 167.77 o
13 1 1 5227.06 6043.20 151.34 o
14 1 1 452.14 415.74 134.53 o
15 1 1 2648.73 3303.36 85.50 o
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