#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:38:30 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181911 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/10/2241066.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241066
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.7079
_cell_length_b                   12.9125
_cell_length_c                   15.4499
_exptl_crystal_F_000             840.00
_reflns_d_resolution_high        0.8411
_cod_data_source_file            zs2346Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' SATHISH in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            261.41
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -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
2 0 0 41624.34 33178.41 954.60 o
4 0 0 2570.64 2690.53 81.28 o
6 0 0 2538.22 2571.76 257.29 o
1 1 0 28.89 36.58 5.25 o
2 1 0 7989.55 8051.51 186.73 o
3 1 0 708.28 737.02 38.52 o
4 1 0 3799.00 3843.73 108.43 o
5 1 0 2961.69 2880.69 89.30 o
6 1 0 3030.14 3093.47 91.94 o
7 1 0 2196.02 2075.78 227.24 o
0 2 0 3022.04 2923.85 73.29 o
1 2 0 22.19 31.87 6.70 o
2 2 0 10019.47 9997.64 172.75 o
3 2 0 607.88 616.14 31.81 o
4 2 0 8115.43 8024.16 212.28 o
5 2 0 57.18 75.41 35.43 o
6 2 0 511.71 539.41 65.50 o
7 2 0 0.33 -86.97 112.52 o
1 3 0 4333.16 4439.83 79.15 o
2 3 0 32097.90 29252.49 526.04 o
3 3 0 438.06 461.28 17.07 o
4 3 0 10674.48 10770.95 279.94 o
5 3 0 1522.15 1518.61 70.98 o
6 3 0 128.29 200.78 66.88 o
7 3 0 323.16 247.10 127.05 o
0 4 0 68336.99 54316.12 1252.43 o
1 4 0 600.78 613.77 19.64 o
2 4 0 16295.59 16560.21 285.27 o
3 4 0 763.97 839.05 27.04 o
4 4 0 1203.66 1184.25 59.57 o
5 4 0 55.56 78.90 39.61 o
6 4 0 6304.74 6351.48 268.62 o
7 4 0 368.91 509.85 123.37 o
1 5 0 7024.31 7210.76 129.59 o
2 5 0 4356.63 4576.02 85.97 o
3 5 0 335.43 307.10 22.58 o
4 5 0 520.29 537.59 29.50 o
5 5 0 87.25 134.14 46.53 o
6 5 0 6410.63 6765.06 299.89 o
7 5 0 228.55 204.85 96.68 o
0 6 0 36106.54 34827.41 808.58 o
1 6 0 171.33 189.69 17.10 o
2 6 0 1296.49 1366.83 38.66 o
3 6 0 300.37 306.94 24.64 o
4 6 0 717.21 920.38 40.62 o
5 6 0 92.73 73.26 53.57 o
6 6 0 13.60 -39.21 97.00 o
7 6 0 8.98 27.18 112.97 o
1 7 0 2575.52 2745.65 77.88 o
2 7 0 23835.15 23923.77 435.62 o
3 7 0 3589.47 3521.04 88.85 o
4 7 0 17738.10 18384.89 416.72 o
5 7 0 814.42 758.64 67.94 o
6 7 0 9.90 -32.24 114.34 o
7 7 0 157.45 -22.14 164.27 o
0 8 0 7322.84 7911.08 237.86 o
1 8 0 252.93 191.75 38.72 o
2 8 0 676.73 648.60 62.44 o
3 8 0 2777.60 2700.85 70.89 o
4 8 0 6284.82 6301.98 142.57 o
5 8 0 356.19 241.64 54.98 o
6 8 0 1717.79 1522.64 151.92 o
1 9 0 4189.54 4185.53 180.83 o
2 9 0 465.80 499.17 73.52 o
3 9 0 948.64 934.66 72.96 o
4 9 0 417.85 427.61 42.16 o
5 9 0 48.10 -85.28 56.85 o
6 9 0 2571.87 2559.93 225.45 o
0 10 0 15267.02 14787.28 629.63 o
1 10 0 248.05 109.48 54.24 o
2 10 0 5924.41 6293.78 238.25 o
3 10 0 293.27 330.35 51.01 o
4 10 0 13.51 -93.16 67.84 o
5 10 0 396.61 334.81 74.67 o
6 10 0 648.62 543.25 235.80 o
1 11 0 8.21 -122.46 81.64 o
2 11 0 9642.79 10366.85 377.66 o
3 11 0 619.14 438.33 63.56 o
4 11 0 2396.21 2349.11 135.23 o
5 11 0 646.51 571.13 92.89 o
0 12 0 426.74 114.38 284.32 o
1 12 0 934.75 861.26 72.68 o
2 12 0 3.71 -78.45 59.02 o
3 12 0 3830.16 3791.64 150.93 o
4 12 0 1153.92 1046.59 107.29 o
1 13 0 179.32 99.48 75.04 o
2 13 0 785.65 687.97 89.95 o
3 13 0 405.51 387.47 108.14 o
4 13 0 68.56 -124.03 100.92 o
0 14 0 5580.57 5769.74 332.58 o
1 14 0 23.50 -84.02 88.02 o
2 14 0 416.24 369.97 84.62 o
3 14 0 37.36 -149.16 110.28 o
1 15 0 1461.71 1139.75 143.73 o
1 0 1 1018.90 1126.85 30.27 o
2 0 1 22710.59 20310.81 429.12 o
3 0 1 488.61 476.99 18.03 o
4 0 1 25292.04 23791.65 468.83 o
5 0 1 5761.80 5889.31 138.04 o
6 0 1 133.63 169.31 100.51 o
7 0 1 3326.99 3372.84 348.72 o
-7 1 1 376.64 367.64 127.50 o
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-3 1 1 933.06 1065.93 40.50 o
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-1 1 1 437.88 508.11 20.81 o
1 1 1 638.43 719.90 17.80 o
2 1 1 2484.94 2656.30 54.27 o
3 1 1 1089.58 1157.83 30.16 o
4 1 1 5762.94 5768.74 175.40 o
5 1 1 507.86 532.16 37.45 o
6 1 1 1306.24 1302.43 71.11 o
7 1 1 353.64 352.61 111.41 o
-7 2 1 57.45 -6.07 66.30 o
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0 2 1 16.46 15.35 6.27 o
1 2 1 2655.40 2858.02 75.48 o
2 2 1 784.70 782.33 24.06 o
3 2 1 15094.70 14543.22 287.69 o
4 2 1 916.71 864.36 44.91 o
5 2 1 3331.03 3327.32 120.08 o
6 2 1 6362.80 6325.82 200.16 o
7 2 1 42.02 -19.82 53.63 o
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0 3 1 19877.96 19743.35 324.04 o
1 3 1 24644.36 23330.37 388.24 o
2 3 1 21611.41 20754.70 367.28 o
3 3 1 4033.69 4133.45 80.20 o
4 3 1 1520.28 1435.60 73.83 o
5 3 1 1082.07 991.00 61.20 o
6 3 1 1967.65 1891.23 106.79 o
7 3 1 126.29 105.46 81.84 o
-7 4 1 1353.06 1280.76 210.94 o
-6 4 1 845.76 750.17 90.16 o
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-4 4 1 4962.59 5100.75 130.70 o
-3 4 1 3643.50 3688.92 78.63 o
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-1 4 1 4574.04 4814.55 94.53 o
0 4 1 2537.47 2576.13 49.05 o
1 4 1 4976.89 5161.98 88.77 o
2 4 1 19341.74 18695.65 328.96 o
3 4 1 3988.87 4066.39 79.41 o
4 4 1 5076.55 5233.60 120.17 o
5 4 1 2866.12 2873.91 103.37 o
6 4 1 758.28 689.38 93.97 o
7 4 1 1348.44 1229.98 122.30 o
-7 5 1 717.99 679.77 167.96 o
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-5 5 1 1035.32 1072.88 108.82 o
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-3 5 1 2888.61 2842.94 61.99 o
-2 5 1 2204.17 2231.31 47.03 o
-1 5 1 16736.13 16509.63 292.56 o
0 5 1 0.86 4.66 14.69 o
1 5 1 16570.64 16107.11 268.89 o
2 5 1 1959.92 1968.57 45.24 o
3 5 1 2839.10 2801.36 63.87 o
4 5 1 6547.55 6685.47 142.06 o
5 5 1 1018.38 1007.46 67.23 o
6 5 1 2430.54 2402.42 155.25 o
7 5 1 635.41 596.27 236.35 o
-7 6 1 650.88 479.12 143.88 o
-6 6 1 2137.46 1921.64 142.43 o
-5 6 1 194.29 265.39 71.66 o
-4 6 1 3233.01 3517.03 82.69 o
-3 6 1 3329.04 3298.67 76.89 o
-2 6 1 2324.11 2425.88 49.96 o
-1 6 1 2404.80 2408.96 58.65 o
0 6 1 4170.06 4430.04 81.72 o
1 6 1 1841.10 1898.27 43.64 o
2 6 1 2073.74 2132.69 50.65 o
3 6 1 3634.01 3565.15 80.87 o
4 6 1 3059.85 3267.10 83.61 o
5 6 1 203.21 222.55 36.33 o
6 6 1 2070.61 2162.74 197.19 o
7 6 1 669.57 569.27 123.74 o
-7 7 1 574.27 391.31 202.58 o
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0 7 1 42817.93 39904.16 685.68 o
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3 7 1 4048.18 4359.17 98.67 o
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5 7 1 647.82 652.11 59.33 o
6 7 1 1122.77 1105.94 136.53 o
7 7 1 615.50 456.97 146.35 o
-6 8 1 1677.47 1560.23 137.15 o
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-4 8 1 1187.53 1259.03 68.21 o
-3 8 1 218.05 273.02 32.84 o
-2 8 1 1861.49 1783.72 67.81 o
-1 8 1 1667.89 1653.62 76.86 o
0 8 1 414.50 428.26 40.41 o
1 8 1 1174.87 1196.05 76.74 o
2 8 1 1391.57 1400.63 71.07 o
3 8 1 304.67 410.61 44.07 o
4 8 1 1281.87 1247.99 69.70 o
5 8 1 566.96 616.35 64.42 o
6 8 1 1616.13 1417.13 160.22 o
-6 9 1 551.12 653.16 142.45 o
-5 9 1 1769.58 1672.63 104.33 o
-4 9 1 1105.26 1286.97 73.38 o
-3 9 1 1380.59 1530.49 68.39 o
-2 9 1 288.53 289.94 40.36 o
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0 9 1 1128.53 1078.99 54.74 o
1 9 1 2909.91 3153.42 113.54 o
2 9 1 305.09 290.96 44.67 o
3 9 1 1449.18 1567.98 65.30 o
4 9 1 1057.35 1092.55 71.64 o
5 9 1 1675.55 1555.17 104.54 o
6 9 1 373.67 206.02 178.67 o
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2 10 1 5763.84 6112.69 236.51 o
3 10 1 771.87 814.76 84.28 o
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3 13 1 660.20 567.12 102.71 o
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-1 15 1 132.54 -128.38 85.59 o
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0 0 2 682.70 759.50 52.55 o
1 0 2 7738.18 8022.14 157.83 o
2 0 2 99.63 114.45 10.97 o
3 0 2 37215.66 33528.80 708.12 o
4 0 2 1593.47 1559.83 44.19 o
5 0 2 5415.85 5214.62 106.31 o
6 0 2 139.06 157.76 26.91 o
7 0 2 31.60 -72.12 121.03 o
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-6 1 2 2153.28 2053.59 82.43 o
-5 1 2 703.08 693.64 29.56 o
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-3 1 2 11394.94 11249.23 317.83 o
-2 1 2 2505.03 2743.56 88.89 o
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0 1 2 3.61 19.83 5.91 o
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3 1 2 11858.89 11842.77 207.37 o
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5 1 2 713.45 693.69 36.69 o
6 1 2 2157.72 2014.13 88.16 o
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-5 2 2 1932.88 2007.04 82.74 o
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-3 2 2 759.23 726.77 41.23 o
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0 2 2 4263.59 4381.14 80.27 o
1 2 2 62287.03 48272.08 907.29 o
2 2 2 4308.54 4376.58 92.44 o
3 2 2 898.60 835.84 21.90 o
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5 2 2 2021.82 1996.63 77.92 o
6 2 2 2950.02 2745.21 148.33 o
7 2 2 2073.74 1896.76 123.11 o
-7 3 2 2367.31 2353.66 194.36 o
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0 3 2 96.82 134.82 14.79 o
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3 3 2 164.05 175.27 16.02 o
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5 3 2 1860.10 1859.31 79.47 o
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5 4 2 670.74 762.18 59.24 o
6 4 2 1357.67 1303.60 140.47 o
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0 5 2 1720.81 1732.20 39.88 o
1 5 2 9055.79 9011.64 155.73 o
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3 5 2 24507.81 24444.18 490.02 o
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