#------------------------------------------------------------------------------
#$Date: 2016-08-10 04:02:47 +0300 (Wed, 10 Aug 2016) $
#$Revision: 185713 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241809.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_2241809
_cell_angle_alpha                90.000
_cell_angle_beta                 94.509
_cell_angle_gamma                90.000
_cell_length_a                   6.9550
_cell_length_b                   21.7483
_cell_length_c                   12.4482
_exptl_crystal_F_000             1056.00
_reflns_d_resolution_high        0.7318
_cod_data_source_file            wm5310Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' xsc1573_0m_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            336.10
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
2 0 0 1433.96 1453.68 33.66 o
4 0 0 12822.87 12543.67 238.15 o
6 0 0 1374.57 1346.48 99.12 o
8 0 0 6090.94 6793.40 274.98 o
1 1 0 21827.89 22447.90 208.72 o
2 1 0 16633.62 16724.27 151.43 o
3 1 0 1480.50 1435.64 28.68 o
4 1 0 943.34 900.62 38.06 o
5 1 0 1876.21 1858.00 57.83 o
6 1 0 15422.12 15169.26 237.52 o
7 1 0 920.21 970.84 75.57 o
8 1 0 275.21 283.56 53.39 o
1 2 0 3118.62 3397.25 59.38 o
2 2 0 2959.47 2966.36 42.79 o
3 2 0 11256.22 11422.57 115.65 o
4 2 0 10925.06 10260.40 138.38 o
5 2 0 5248.76 5350.03 92.26 o
6 2 0 68.44 86.21 23.44 o
7 2 0 5356.78 5659.72 223.35 o
8 2 0 1266.11 1103.36 130.62 o
9 2 0 603.01 602.07 106.58 o
1 3 0 57324.38 60044.88 495.82 o
2 3 0 195.03 249.17 11.80 o
3 3 0 19602.74 19808.32 184.33 o
4 3 0 796.52 855.78 25.86 o
5 3 0 13417.86 13021.95 156.53 o
6 3 0 29.11 56.14 21.37 o
7 3 0 2292.59 2343.24 104.12 o
8 3 0 118.47 141.16 63.83 o
9 3 0 2607.71 2588.63 189.48 o
0 4 0 36244.88 37476.48 381.29 o
1 4 0 56285.30 59761.82 495.37 o
2 4 0 8711.12 9613.51 81.31 o
3 4 0 45882.70 44978.54 388.87 o
4 4 0 2894.18 2793.85 47.19 o
5 4 0 8597.24 8358.38 113.40 o
6 4 0 213.22 203.88 29.30 o
7 4 0 3910.61 4010.79 208.66 o
8 4 0 579.38 603.61 101.61 o
9 4 0 494.18 402.24 65.43 o
1 5 0 9073.54 9442.60 89.82 o
2 5 0 22999.48 23623.90 194.63 o
3 5 0 1420.45 1213.48 23.29 o
4 5 0 483.46 544.44 23.33 o
5 5 0 4868.61 4887.01 79.76 o
6 5 0 5025.14 5111.06 100.63 o
7 5 0 459.87 368.77 87.28 o
8 5 0 94.57 35.41 51.87 o
9 5 0 1108.13 1041.12 96.80 o
0 6 0 37037.29 38856.66 400.59 o
1 6 0 36850.59 40009.25 338.99 o
2 6 0 882.74 857.78 18.82 o
3 6 0 858.96 1017.35 19.86 o
4 6 0 30391.91 29424.62 252.31 o
5 6 0 17.16 27.40 14.68 o
6 6 0 187.49 213.78 32.61 o
7 6 0 408.90 534.50 63.99 o
8 6 0 3533.07 3341.61 140.33 o
9 6 0 32.46 66.03 46.20 o
1 7 0 16073.03 16686.46 130.99 o
2 7 0 56230.42 58046.88 455.46 o
3 7 0 4155.30 4167.21 52.88 o
4 7 0 82.17 63.92 11.06 o
5 7 0 133.77 145.13 17.38 o
6 7 0 11728.61 11492.66 285.37 o
7 7 0 17.79 53.37 24.53 o
8 7 0 246.77 283.13 91.25 o
9 7 0 278.21 188.89 79.94 o
0 8 0 38217.32 37462.38 410.44 o
1 8 0 8435.69 8603.11 80.10 o
2 8 0 34.42 118.40 10.11 o
3 8 0 4907.98 4814.21 59.41 o
4 8 0 12648.84 12620.48 126.48 o
5 8 0 3904.98 3932.29 81.60 o
6 8 0 771.21 860.38 50.82 o
7 8 0 2471.24 2273.81 75.99 o
8 8 0 2197.44 2353.18 123.52 o
1 9 0 36981.91 37231.87 278.80 o
2 9 0 2938.63 2902.06 41.00 o
3 9 0 4134.56 3904.06 74.25 o
4 9 0 1021.21 1016.91 32.55 o
5 9 0 8567.13 8398.27 139.34 o
6 9 0 632.34 666.73 61.04 o
7 9 0 2185.11 2044.34 75.32 o
8 9 0 8.35 15.41 42.72 o
0 10 0 470.51 485.24 21.38 o
1 10 0 40628.05 40501.70 303.72 o
2 10 0 2928.59 3282.54 45.22 o
3 10 0 6204.47 6103.95 72.71 o
4 10 0 81.93 91.04 15.85 o
5 10 0 3000.95 2940.98 97.54 o
6 10 0 69.17 67.60 34.40 o
7 10 0 5621.57 5627.50 125.62 o
8 10 0 241.35 265.94 79.17 o
1 11 0 15722.16 15594.65 130.61 o
2 11 0 15531.85 15952.91 158.49 o
3 11 0 6048.12 6254.69 84.67 o
4 11 0 11.50 7.97 11.55 o
5 11 0 7361.79 7409.12 117.06 o
6 11 0 5688.36 5849.57 119.03 o
7 11 0 1227.35 1277.33 76.20 o
8 11 0 1.04 8.59 43.09 o
0 12 0 37366.71 36131.97 391.59 o
1 12 0 1153.17 1154.91 27.92 o
2 12 0 691.95 762.95 28.39 o
3 12 0 3371.69 3244.07 58.01 o
4 12 0 8358.55 8611.41 113.50 o
5 12 0 835.34 771.23 48.32 o
6 12 0 417.22 481.35 42.12 o
7 12 0 424.44 396.70 48.69 o
8 12 0 2274.25 2360.01 221.51 o
1 13 0 20.74 27.86 7.60 o
2 13 0 29515.51 28504.50 335.87 o
3 13 0 63.56 79.22 20.09 o
4 13 0 27.48 54.36 17.25 o
5 13 0 90.62 82.02 21.35 o
6 13 0 6667.74 6680.14 170.38 o
7 13 0 23.71 0.97 30.30 o
8 13 0 334.22 457.72 97.29 o
0 14 0 20454.41 20598.69 288.67 o
1 14 0 3089.40 3196.25 48.75 o
2 14 0 1057.57 1061.18 33.22 o
3 14 0 1624.72 1663.03 47.58 o
4 14 0 10201.24 10256.39 144.75 o
5 14 0 1723.52 1673.72 56.67 o
6 14 0 42.77 29.33 26.17 o
7 14 0 878.60 1029.84 101.80 o
1 15 0 11871.40 11947.20 134.34 o
2 15 0 6455.85 6383.72 89.74 o
3 15 0 5742.70 5409.18 85.15 o
4 15 0 19.75 18.44 17.49 o
5 15 0 3519.91 3384.22 80.90 o
6 15 0 1035.81 1012.20 60.76 o
7 15 0 711.53 656.31 92.19 o
8 15 0 159.89 43.70 74.13 o
0 16 0 391.31 358.15 26.23 o
1 16 0 4713.17 4566.09 71.42 o
2 16 0 461.96 474.61 27.76 o
3 16 0 11801.17 11319.17 140.26 o
4 16 0 165.28 139.55 23.68 o
5 16 0 2834.78 2925.55 93.92 o
6 16 0 48.17 82.58 34.55 o
7 16 0 1768.47 1612.95 97.06 o
1 17 0 8706.00 8584.70 118.81 o
2 17 0 3127.32 3024.31 60.80 o
3 17 0 4536.39 4263.39 80.81 o
4 17 0 63.36 26.55 19.93 o
5 17 0 4824.49 4716.89 139.30 o
6 17 0 525.26 604.88 58.17 o
7 17 0 804.76 706.00 100.39 o
0 18 0 9194.82 9107.20 182.18 o
1 18 0 5267.95 5126.19 83.99 o
2 18 0 19.83 31.53 15.41 o
3 18 0 1001.94 952.66 42.98 o
4 18 0 6171.26 6110.64 112.81 o
5 18 0 38.72 51.27 29.55 o
6 18 0 2.81 32.12 33.38 o
7 18 0 763.48 645.41 76.81 o
1 19 0 37.35 51.80 18.71 o
2 19 0 11001.32 10944.22 139.82 o
3 19 0 227.46 158.55 26.37 o
4 19 0 119.80 118.69 26.29 o
5 19 0 280.88 250.33 37.61 o
6 19 0 2722.19 2720.04 116.27 o
0 20 0 12230.35 11389.43 251.00 o
1 20 0 898.46 920.23 73.87 o
2 20 0 50.62 49.59 22.71 o
3 20 0 374.77 328.02 41.60 o
4 20 0 5173.38 4841.50 189.56 o
5 20 0 196.59 170.25 38.55 o
6 20 0 394.31 517.29 58.77 o
1 21 0 2918.13 2837.45 77.12 o
2 21 0 4282.89 4358.08 116.92 o
3 21 0 1199.74 1170.32 57.90 o
4 21 0 316.85 368.79 39.33 o
5 21 0 1831.87 2042.73 216.32 o
6 21 0 1043.41 1346.59 94.40 o
0 22 0 85.35 77.38 38.23 o
1 22 0 3692.03 3866.28 109.97 o
2 22 0 12.46 -1.25 21.03 o
3 22 0 2621.08 2587.08 80.72 o
4 22 0 332.87 405.61 46.86 o
5 22 0 1378.84 1453.94 90.97 o
6 22 0 3.21 45.12 87.04 o
1 23 0 3475.50 3540.47 124.08 o
2 23 0 79.48 54.70 24.03 o
3 23 0 1939.89 1802.09 80.61 o
4 23 0 2.02 -11.68 28.52 o
5 23 0 1386.31 1531.75 240.17 o
0 24 0 2984.21 3052.45 129.67 o
1 24 0 1242.53 1330.06 70.86 o
2 24 0 104.57 115.17 43.72 o
3 24 0 2177.67 2224.77 101.20 o
4 24 0 1736.62 1851.13 205.17 o
5 24 0 488.86 435.09 102.08 o
1 25 0 266.31 306.48 42.32 o
2 25 0 3695.05 3855.95 127.33 o
3 25 0 77.94 58.78 40.16 o
4 25 0 5.96 37.30 51.17 o
5 25 0 138.62 255.09 92.02 o
0 26 0 3565.85 3456.20 281.73 o
1 26 0 8.60 32.61 34.84 o
2 26 0 60.63 104.00 45.64 o
3 26 0 63.86 0.83 38.99 o
1 27 0 533.67 490.83 51.58 o
2 27 0 2048.15 1937.58 102.43 o
3 27 0 424.91 441.96 119.85 o
0 28 0 680.58 509.62 76.26 o
1 28 0 955.10 935.40 67.28 o
2 28 0 6.83 -14.33 64.42 o
1 29 0 854.16 1212.54 188.65 o
-5 0 1 12498.34 11935.28 235.19 o
-3 0 1 12182.25 11980.42 210.47 o
1 0 1 47562.96 49331.25 814.99 o
3 0 1 19792.88 20406.42 264.12 o
5 0 1 24420.97 24016.67 396.29 o
7 0 1 1940.73 1891.23 131.69 o
-8 1 1 2080.56 2277.30 155.61 o
-7 1 1 3935.10 4074.85 278.36 o
-6 1 1 439.21 390.62 40.48 o
-5 1 1 7058.79 7014.03 114.26 o
-4 1 1 6466.45 6425.00 99.78 o
-3 1 1 7793.95 7597.53 136.09 o
-2 1 1 8445.21 8596.13 94.06 o
-1 1 1 50007.32 49050.86 1851.62 o
1 1 1 25776.43 26722.34 415.41 o
2 1 1 1620.21 1661.89 23.38 o
3 1 1 23631.29 23806.15 198.78 o
4 1 1 1892.81 1951.23 37.70 o
5 1 1 1658.80 1775.05 49.43 o
6 1 1 1000.02 1067.28 69.07 o
7 1 1 6341.28 6643.99 180.20 o
8 1 1 1442.78 1548.93 102.18 o
9 1 1 131.77 236.85 80.05 o
-7 2 1 905.68 878.85 74.57 o
-6 2 1 11116.56 10968.40 189.41 o
-5 2 1 3407.06 3385.27 72.52 o
-4 2 1 22.31 71.80 14.17 o
-3 2 1 8567.01 8886.11 104.63 o
-2 2 1 23529.64 23677.30 228.41 o
-1 2 1 1201.80 1360.77 23.20 o
0 2 1 9790.70 10664.67 114.29 o
1 2 1 46844.07 50319.90 970.24 o
2 2 1 38195.22 38966.67 329.10 o
3 2 1 3756.25 3777.19 45.77 o
4 2 1 6809.83 6954.95 83.88 o
5 2 1 4474.42 4478.76 82.92 o
6 2 1 9783.11 10076.15 220.46 o
7 2 1 43.57 72.84 35.19 o
8 2 1 641.06 567.01 75.32 o
9 2 1 1178.64 1195.96 145.78 o
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-7 3 1 66.32 90.47 38.72 o
-6 3 1 81.51 92.79 21.03 o
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-3 3 1 1265.18 1213.41 29.26 o
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0 3 1 107394.24 110352.69 988.49 o
1 3 1 84.69 107.68 8.04 o
2 3 1 3235.94 3258.16 44.29 o
3 3 1 83.49 53.80 8.38 o
4 3 1 20465.90 19825.28 191.54 o
5 3 1 449.99 490.01 28.45 o
6 3 1 917.46 1074.82 87.75 o
7 3 1 2.18 27.07 30.25 o
8 3 1 4428.49 4746.79 233.53 o
9 3 1 6.49 -31.86 51.51 o
-9 4 1 86.59 109.07 72.48 o
-8 4 1 260.00 217.40 69.40 o
-7 4 1 934.10 982.71 78.75 o
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-5 4 1 1688.69 1720.16 45.11 o
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-3 4 1 6674.47 7159.51 87.32 o
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-1 4 1 2545.62 2561.03 33.96 o
0 4 1 1409.21 1502.14 27.03 o
1 4 1 21748.19 23148.82 199.84 o
2 4 1 112964.59 114446.55 1616.32 o
3 4 1 1163.05 1214.71 26.52 o
4 4 1 1022.04 999.80 27.51 o
5 4 1 877.71 930.67 35.57 o
6 4 1 7125.91 7445.50 127.06 o
7 4 1 502.72 584.78 62.27 o
8 4 1 1716.44 1711.46 151.35 o
9 4 1 278.99 226.55 86.09 o
-9 5 1 770.78 756.97 121.27 o
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-7 5 1 2463.91 2511.42 87.57 o
-6 5 1 260.21 193.27 38.48 o
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-4 5 1 13525.97 13098.02 125.01 o
-3 5 1 2172.25 1786.22 34.47 o
-2 5 1 213.62 226.52 9.11 o
-1 5 1 4156.32 4266.42 47.51 o
0 5 1 11395.89 12293.28 111.79 o
1 5 1 14786.82 15670.16 141.68 o
2 5 1 12947.01 13930.80 143.68 o
3 5 1 31674.12 31371.71 279.98 o
4 5 1 12486.30 12246.70 130.18 o
5 5 1 1800.11 1759.91 46.74 o
6 5 1 592.09 593.52 38.87 o
8 5 1 1053.83 1471.42 158.33 o
9 5 1 53.02 -11.82 44.38 o
-9 6 1 1450.96 1717.62 177.52 o
-8 6 1 0.60 62.55 41.51 o
-7 6 1 2822.26 2893.76 94.67 o
-6 6 1 737.71 839.90 58.29 o
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-4 6 1 249.24 256.24 15.04 o
-3 6 1 26221.22 26243.28 218.43 o
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0 6 1 4528.10 4927.80 45.77 o
1 6 1 59610.24 61694.41 476.99 o
2 6 1 4220.45 4218.11 48.97 o
3 6 1 5470.24 5187.34 65.44 o
4 6 1 334.78 326.23 19.10 o
5 6 1 11624.29 11665.16 148.77 o
6 6 1 832.80 776.30 39.94 o
7 6 1 787.10 887.11 120.56 o
8 6 1 18.44 38.64 39.96 o
9 6 1 2893.80 3198.87 235.31 o
-9 7 1 1040.22 1289.40 141.52 o
-8 7 1 43.29 37.92 48.14 o
-7 7 1 3639.29 3569.08 107.01 o
-6 7 1 44.31 50.50 19.70 o
-5 7 1 11363.60 11260.44 146.05 o
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0 7 1 189.05 243.29 9.75 o
1 7 1 37581.86 39778.86 315.31 o
2 7 1 6721.66 6524.00 73.49 o
3 7 1 18723.69 18292.88 163.53 o
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5 7 1 2716.22 2813.16 60.76 o
6 7 1 10.13 -0.94 18.30 o
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3 8 1 3094.75 3177.42 47.44 o
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8 8 1 440.31 491.60 68.58 o
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-3 9 1 74.42 81.46 12.18 o
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0 9 1 45850.48 45631.30 337.11 o
1 9 1 4818.15 4928.69 61.43 o
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5 9 1 25.79 46.23 16.51 o
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8 9 1 2987.33 3330.68 198.12 o
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0 12 1 1291.13 1381.02 30.46 o
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2 12 1 4141.08 4094.55 59.72 o
3 12 1 1338.85 1356.62 36.93 o
4 12 1 496.47 473.75 31.97 o
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6 12 1 366.96 406.79 36.02 o
7 12 1 625.42 705.51 52.66 o
8 12 1 171.62 99.89 52.15 o
-8 13 1 9.43 -25.09 34.27 o
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-4 13 1 94.86 120.38 19.05 o
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-1 13 1 13220.43 12981.72 126.30 o
0 13 1 907.77 869.04 21.97 o
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3 13 1 28645.16 27463.55 267.09 o
4 13 1 480.10 505.18 33.23 o
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6 13 1 1.77 7.45 20.24 o
7 13 1 3699.88 3656.91 103.40 o
8 13 1 162.61 195.16 79.58 o
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