#------------------------------------------------------------------------------
#$Date: 2016-09-06 13:40:27 +0300 (Tue, 06 Sep 2016) $
#$Revision: 186182 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241841.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_2241841
_cell_angle_alpha                90.000
_cell_angle_beta                 93.788
_cell_angle_gamma                90.000
_cell_length_a                   6.7773
_cell_length_b                   13.8700
_cell_length_c                   16.1040
_exptl_crystal_F_000             1062.76
_reflns_d_resolution_high        0.8183
_cod_data_source_file            wm5315Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' J'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            476.61
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
1 0 0 90827.56 98996.35 1688.65 o
2 0 0 227157.88 223366.34 4663.15 o
3 0 0 8027.42 8023.56 167.75 o
4 0 0 142.45 149.64 16.42 o
5 0 0 7983.40 8335.79 163.43 o
6 0 0 5723.21 5633.05 130.49 o
7 0 0 2377.57 2261.18 94.20 o
8 0 0 182.09 185.42 86.99 o
1 1 0 4566.67 5025.93 63.55 o
2 1 0 2257.71 2494.44 38.62 o
3 1 0 6285.44 6601.69 85.52 o
4 1 0 112.71 151.58 11.26 o
5 1 0 1445.37 1463.14 36.54 o
6 1 0 1071.07 1076.60 38.10 o
7 1 0 1.04 9.97 16.24 o
8 1 0 704.76 657.10 57.73 o
0 2 0 36081.21 35371.70 593.83 o
1 2 0 95878.98 95489.77 1165.68 o
2 2 0 37930.29 38338.92 415.90 o
3 2 0 13517.03 13338.81 157.97 o
4 2 0 5331.49 5347.80 82.30 o
5 2 0 1997.29 2005.74 43.80 o
6 2 0 351.41 386.17 22.26 o
7 2 0 632.17 615.80 51.53 o
8 2 0 197.57 173.87 33.32 o
1 3 0 1381.52 1568.03 30.11 o
2 3 0 3797.85 4107.19 67.46 o
3 3 0 1252.14 1331.21 27.81 o
4 3 0 6308.86 6400.52 89.59 o
5 3 0 1148.19 1113.84 31.94 o
6 3 0 1888.40 1916.96 68.44 o
7 3 0 77.77 81.50 20.20 o
8 3 0 199.89 157.40 32.94 o
0 4 0 11957.99 12186.41 197.41 o
1 4 0 20365.00 20140.56 224.88 o
2 4 0 121.80 244.84 14.11 o
3 4 0 30335.98 30915.38 345.75 o
4 4 0 15434.40 15715.39 190.67 o
5 4 0 15645.33 15657.91 213.38 o
6 4 0 9595.41 9724.33 166.56 o
7 4 0 1873.23 1898.22 70.20 o
8 4 0 551.57 611.11 56.75 o
1 5 0 4482.82 4137.70 56.80 o
2 5 0 10590.78 10481.01 147.34 o
3 5 0 14988.22 14858.31 194.70 o
4 5 0 4833.82 4781.70 82.63 o
5 5 0 3078.25 3039.06 65.26 o
6 5 0 54.97 76.47 20.20 o
7 5 0 6.74 5.86 19.01 o
0 6 0 8227.08 8517.53 149.61 o
1 6 0 3637.05 3882.54 61.68 o
2 6 0 376.50 387.87 18.29 o
3 6 0 5540.27 5665.96 90.90 o
4 6 0 12573.67 12520.29 186.53 o
5 6 0 17202.79 17324.94 236.71 o
6 6 0 9276.13 9289.41 181.30 o
7 6 0 4080.55 3960.18 109.55 o
1 7 0 4386.59 4222.90 64.44 o
2 7 0 9473.49 9188.40 138.48 o
3 7 0 10989.29 10960.79 155.08 o
4 7 0 4673.05 4581.67 84.03 o
5 7 0 2604.81 2630.97 69.55 o
6 7 0 20.30 50.18 21.42 o
7 7 0 4.51 18.10 22.39 o
0 8 0 14424.39 13979.62 239.12 o
1 8 0 467.14 559.61 20.90 o
2 8 0 6012.35 5795.55 92.66 o
3 8 0 443.15 434.31 34.01 o
4 8 0 1600.15 1538.01 50.86 o
5 8 0 323.13 332.46 32.55 o
6 8 0 409.49 456.94 40.34 o
7 8 0 621.48 727.51 51.96 o
1 9 0 703.40 675.96 22.52 o
2 9 0 2181.17 2194.02 49.08 o
3 9 0 968.62 989.40 41.60 o
4 9 0 1134.57 1223.83 47.98 o
5 9 0 47.36 84.01 22.42 o
6 9 0 122.64 84.07 26.68 o
7 9 0 106.41 50.57 54.23 o
0 10 0 11081.77 10706.19 197.60 o
1 10 0 3870.62 3734.38 62.50 o
2 10 0 4042.36 3925.50 84.75 o
3 10 0 37.43 76.41 21.06 o
4 10 0 15.28 43.77 17.90 o
5 10 0 234.41 198.37 31.20 o
6 10 0 6.71 1.53 21.80 o
1 11 0 3292.70 3190.13 63.79 o
2 11 0 8721.26 8535.06 209.50 o
3 11 0 9946.06 9883.43 194.36 o
4 11 0 2964.27 2958.97 82.45 o
5 11 0 1396.45 1439.37 65.93 o
6 11 0 255.95 273.26 54.72 o
0 12 0 419.85 451.59 49.14 o
1 12 0 1213.96 1153.82 43.95 o
2 12 0 92.40 104.54 25.70 o
3 12 0 847.40 928.24 59.10 o
4 12 0 74.00 74.00 23.73 o
5 12 0 497.05 515.90 47.06 o
1 13 0 206.51 222.25 25.00 o
2 13 0 24.27 33.92 19.31 o
3 13 0 349.88 476.82 38.33 o
4 13 0 1.14 37.51 25.32 o
5 13 0 1.69 30.52 26.32 o
0 14 0 22.38 43.37 35.91 o
1 14 0 322.00 405.56 43.27 o
2 14 0 65.11 93.59 23.02 o
3 14 0 407.73 486.04 40.30 o
4 14 0 79.67 93.78 30.25 o
1 15 0 574.27 500.96 52.60 o
2 15 0 420.61 330.95 38.34 o
3 15 0 1259.28 1151.57 57.67 o
0 16 0 335.64 421.59 94.50 o
1 16 0 0.65 17.23 31.45 o
2 16 0 193.06 279.19 40.21 o
-8 1 1 1594.00 1620.78 96.32 o
-7 1 1 3263.35 3053.23 88.85 o
-6 1 1 9126.76 8927.29 154.69 o
-5 1 1 6741.28 6470.42 94.58 o
-4 1 1 10339.62 10102.59 127.91 o
-3 1 1 1134.95 1049.61 23.36 o
-2 1 1 1308.70 1467.70 24.95 o
-1 1 1 623.86 759.78 13.25 o
0 1 1 0.30 19.42 3.33 o
1 1 1 2085.74 2238.00 43.84 o
2 1 1 4796.01 4897.58 70.74 o
3 1 1 13963.00 14271.57 177.71 o
4 1 1 9571.56 10056.62 127.94 o
5 1 1 10157.72 9988.97 126.65 o
6 1 1 3468.89 3423.00 66.00 o
7 1 1 2352.22 2372.87 95.50 o
8 1 1 288.84 281.76 43.99 o
-8 2 1 556.14 503.32 43.53 o
-7 2 1 3862.21 3811.48 91.18 o
-6 2 1 4570.37 4476.35 78.04 o
-5 2 1 8856.04 8836.26 121.34 o
-4 2 1 204.82 280.84 14.89 o
-3 2 1 254.53 338.46 13.79 o
-2 2 1 32591.07 33476.04 364.66 o
-1 2 1 47959.16 50224.35 639.88 o
0 2 1 43431.54 45372.54 487.30 o
1 2 1 15019.34 15267.54 211.55 o
2 2 1 195.52 247.65 9.98 o
3 2 1 18115.05 18547.97 226.04 o
4 2 1 11646.27 11764.88 155.32 o
5 2 1 22788.86 22736.46 268.68 o
6 2 1 3930.52 3894.45 89.47 o
7 2 1 1564.17 1418.23 60.85 o
8 2 1 0.51 20.82 24.25 o
-8 3 1 9.53 76.13 30.34 o
-7 3 1 93.69 100.40 21.74 o
-6 3 1 479.49 470.34 27.71 o
-5 3 1 4807.75 4760.68 76.82 o
-4 3 1 5827.42 5745.83 82.60 o
-3 3 1 21766.15 22181.98 252.61 o
-2 3 1 16229.93 16072.41 183.23 o
-1 3 1 21924.97 22189.23 285.88 o
0 3 1 8729.86 9216.56 106.09 o
1 3 1 3042.66 3439.51 50.81 o
2 3 1 2148.19 2444.11 42.51 o
3 3 1 258.04 316.31 13.35 o
4 3 1 1894.26 1914.20 38.43 o
5 3 1 1755.13 1728.05 39.96 o
6 3 1 2820.16 2830.77 71.77 o
7 3 1 1550.35 1462.61 69.84 o
8 3 1 1514.75 1430.25 77.34 o
-8 4 1 1458.00 1442.62 77.66 o
-7 4 1 3749.81 3657.75 100.59 o
-6 4 1 2767.12 2677.56 64.11 o
-5 4 1 3102.59 3251.66 60.70 o
-4 4 1 59.45 71.36 15.40 o
-3 4 1 4188.40 4242.64 62.79 o
-2 4 1 18220.35 18511.82 279.40 o
-1 4 1 25340.08 24752.00 292.00 o
0 4 1 22494.83 23122.14 255.15 o
1 4 1 326.81 406.54 20.68 o
2 4 1 386.84 370.02 31.04 o
3 4 1 17838.84 18663.45 235.68 o
4 4 1 15672.89 15420.87 186.99 o
5 4 1 11801.21 11828.37 168.52 o
6 4 1 5459.00 5290.75 107.82 o
7 4 1 869.11 861.78 51.41 o
-7 5 1 5.67 39.43 22.28 o
-6 5 1 224.66 220.32 24.76 o
-5 5 1 2223.60 2306.46 55.49 o
-4 5 1 3777.57 3812.99 62.78 o
-3 5 1 28689.26 29232.97 356.94 o
-2 5 1 21494.21 21010.17 281.32 o
-1 5 1 44130.58 42979.79 498.91 o
0 5 1 23682.29 23448.22 279.42 o
1 5 1 4737.86 4680.91 63.18 o
2 5 1 708.67 733.29 23.18 o
3 5 1 229.69 324.38 25.96 o
4 5 1 3.25 18.35 9.57 o
5 5 1 52.51 59.95 13.91 o
6 5 1 1027.64 1058.06 46.21 o
7 5 1 662.19 620.56 44.94 o
-7 6 1 462.58 443.46 40.99 o
-6 6 1 64.93 52.29 19.96 o
-5 6 1 3900.05 3819.17 84.75 o
-4 6 1 2.74 54.77 14.73 o
-3 6 1 72.42 92.40 12.15 o
-2 6 1 8436.22 8016.55 126.10 o
-1 6 1 12956.97 13491.62 171.86 o
0 6 1 33692.48 33405.47 368.58 o
1 6 1 11229.55 11252.66 135.96 o
2 6 1 20001.39 19731.50 248.65 o
3 6 1 233.11 334.30 19.97 o
4 6 1 434.27 451.66 24.53 o
5 6 1 2233.66 2249.03 62.69 o
6 6 1 533.25 516.75 39.59 o
7 6 1 395.62 351.21 57.96 o
-7 7 1 23.76 49.84 22.53 o
-6 7 1 377.34 399.77 36.75 o
-5 7 1 3392.62 3172.07 77.75 o
-4 7 1 1022.02 1066.56 58.12 o
-3 7 1 5219.25 5181.14 97.37 o
-2 7 1 3188.98 3330.07 64.05 o
-1 7 1 5088.15 4821.64 68.52 o
0 7 1 28189.36 27612.33 310.63 o
1 7 1 42616.23 41297.31 455.31 o
2 7 1 39799.54 38922.07 468.51 o
3 7 1 20021.80 20233.72 287.97 o
4 7 1 7662.33 7629.15 121.50 o
5 7 1 859.71 848.63 45.64 o
6 7 1 32.60 58.90 22.55 o
7 7 1 367.75 374.57 40.06 o
-7 8 1 0.06 29.44 22.32 o
-6 8 1 16.91 39.76 20.81 o
-5 8 1 0.81 30.14 16.20 o
-4 8 1 327.97 331.75 27.72 o
-3 8 1 1538.34 1505.79 47.53 o
-2 8 1 9213.05 9017.91 128.89 o
-1 8 1 9674.28 9457.95 121.58 o
0 8 1 13183.66 12860.24 157.45 o
1 8 1 4349.60 4347.94 65.82 o
2 8 1 1016.81 1062.60 35.62 o
3 8 1 1.77 35.21 13.36 o
4 8 1 668.17 651.71 35.26 o
5 8 1 394.90 444.82 36.70 o
6 8 1 33.24 21.18 26.89 o
7 8 1 15.82 22.38 23.60 o
-7 9 1 147.35 192.58 35.12 o
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0 11 1 165.91 231.22 21.01 o
1 11 1 650.41 756.76 27.11 o
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-5 12 1 2725.98 2579.66 90.06 o
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-1 12 1 300.60 345.58 27.80 o
0 12 1 347.93 308.39 22.14 o
1 12 1 36.16 51.06 16.78 o
2 12 1 79.51 97.96 19.73 o
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4 12 1 297.10 289.62 35.99 o
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-5 13 1 2461.53 2549.82 92.17 o
-4 13 1 3233.82 3141.00 91.08 o
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-1 13 1 309.10 355.46 29.65 o
0 13 1 156.85 160.17 22.95 o
1 13 1 4738.61 4436.60 96.24 o
2 13 1 3736.72 3644.61 89.41 o
3 13 1 4091.70 3991.04 99.37 o
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5 13 1 106.69 110.28 30.88 o
-4 14 1 514.09 508.49 43.81 o
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0 14 1 2813.00 2817.63 104.75 o
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2 14 1 1288.73 1217.98 52.73 o
3 14 1 55.76 17.28 22.13 o
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-3 15 1 354.55 371.15 37.27 o
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-1 15 1 13.07 19.33 28.43 o
0 15 1 258.81 289.70 42.18 o
1 15 1 279.32 362.53 61.01 o
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3 15 1 239.45 251.34 34.59 o
-2 16 1 198.37 133.89 32.08 o
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0 16 1 1452.67 1496.68 81.65 o
1 16 1 606.27 514.25 56.25 o
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-8 0 2 774.52 798.29 181.78 o
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5 0 2 19192.91 19530.40 332.92 o
6 0 2 7072.52 7086.55 183.02 o
7 0 2 399.96 330.08 59.92 o
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4 6 2 4466.54 4551.04 82.18 o
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