#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:49:14 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181917 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/16/2241621.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_2241621
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.1229
_cell_length_b                   7.2913
_cell_length_c                   22.6098
_exptl_crystal_F_000             760.00
_reflns_d_resolution_high        0.7574
_cod_data_source_file            wm5283Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ip1486 in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            328.87
_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, z+1/2'
'x+1/2, -y+1/2, -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
2 0 0 49805.82 50682.24 385.23 o
4 0 0 23675.68 23332.34 394.75 o
6 0 0 9815.53 9835.12 160.51 o
8 0 0 2571.16 3099.32 174.56 o
1 1 0 2708.67 2792.69 68.47 o
2 1 0 11496.23 12068.49 105.61 o
3 1 0 36.31 316.30 170.51 o
4 1 0 11720.07 12077.25 137.59 o
5 1 0 41.19 266.26 69.06 o
6 1 0 17227.43 16657.39 219.15 o
7 1 0 4.29 122.55 80.99 o
8 1 0 10684.25 10762.06 121.78 o
9 1 0 14.57 100.74 130.39 o
1 2 0 10714.16 11035.21 130.21 o
2 2 0 47440.84 50042.59 1111.98 o
3 2 0 25.75 69.87 46.18 o
4 2 0 32855.11 34022.38 475.28 o
5 2 0 166.43 403.23 53.91 o
6 2 0 8507.93 8497.69 211.70 o
7 2 0 47.57 277.25 124.82 o
8 2 0 2237.03 2512.82 132.63 o
9 2 0 44.37 215.43 172.95 o
1 3 0 2658.50 2947.50 81.14 o
2 3 0 5104.04 5473.84 64.71 o
3 3 0 55.20 248.68 97.34 o
4 3 0 9704.15 10513.58 136.27 o
5 3 0 992.07 1099.23 109.95 o
6 3 0 9308.41 9133.52 105.29 o
7 3 0 412.49 488.46 90.17 o
8 3 0 7795.61 8079.59 248.48 o
0 4 0 35778.17 41063.32 5109.50 o
1 4 0 1485.52 1594.12 57.21 o
2 4 0 29051.83 31391.11 488.02 o
3 4 0 86.82 235.88 56.46 o
4 4 0 18357.60 18130.43 112.48 o
5 4 0 264.95 395.49 102.23 o
6 4 0 8282.21 8061.47 145.25 o
7 4 0 269.17 420.33 133.94 o
8 4 0 1197.09 1436.29 174.98 o
1 5 0 3111.81 3258.97 76.40 o
2 5 0 1174.38 1257.02 53.65 o
3 5 0 1193.45 1407.35 73.52 o
4 5 0 4997.24 5283.17 152.43 o
5 5 0 279.04 466.84 80.73 o
6 5 0 4844.53 5036.85 183.56 o
7 5 0 282.71 404.68 151.72 o
0 6 0 8021.10 8477.78 128.34 o
1 6 0 96.87 267.37 66.50 o
2 6 0 12676.79 13347.36 160.24 o
3 6 0 3.44 76.83 54.95 o
4 6 0 13176.80 12747.20 320.26 o
5 6 0 271.15 508.13 125.53 o
6 6 0 3351.07 3387.74 139.94 o
7 6 0 464.33 483.02 176.13 o
1 7 0 973.64 924.27 71.51 o
2 7 0 897.27 1115.41 80.36 o
3 7 0 967.44 1051.16 63.36 o
4 7 0 1519.81 1636.98 87.18 o
5 7 0 682.56 745.35 115.07 o
6 7 0 2302.33 2220.15 125.28 o
0 8 0 8445.33 8539.95 158.87 o
1 8 0 29.35 118.32 78.76 o
2 8 0 6132.67 6234.25 98.49 o
3 8 0 4.82 119.67 86.34 o
4 8 0 3158.49 3234.32 123.34 o
5 8 0 312.79 266.35 125.96 o
1 9 0 730.34 746.67 100.74 o
2 9 0 275.70 418.02 116.25 o
3 9 0 763.50 682.67 150.62 o
1 0 1 5064.45 4990.35 138.14 o
2 0 1 1644.74 1636.38 88.55 o
3 0 1 3188.78 3085.81 95.09 o
4 0 1 2303.70 2647.00 111.08 o
5 0 1 7295.18 7260.01 172.42 o
6 0 1 8046.31 8082.66 138.60 o
7 0 1 5843.00 5762.52 127.88 o
8 0 1 5249.38 5195.57 113.45 o
9 0 1 5847.28 6057.51 145.04 o
-9 1 1 203.42 456.49 128.61 o
-8 1 1 1890.32 2275.50 110.49 o
-7 1 1 2539.14 2624.99 91.98 o
-6 1 1 3983.57 3975.24 90.11 o
-5 1 1 10590.29 10337.61 165.64 o
-4 1 1 16647.18 17024.31 204.84 o
-3 1 1 25516.82 26145.74 139.43 o
-2 1 1 20629.60 20566.83 358.33 o
-1 1 1 50877.32 48620.62 1505.33 o
0 1 1 47797.15 54717.86 2207.73 o
1 1 1 48977.78 46981.67 1157.04 o
2 1 1 21238.89 21729.62 402.91 o
3 1 1 24143.22 24709.27 313.81 o
4 1 1 16968.39 16941.80 149.24 o
5 1 1 11329.78 11270.71 224.07 o
6 1 1 4214.16 4388.31 108.40 o
7 1 1 2499.52 2520.54 104.41 o
8 1 1 1904.06 2121.00 120.65 o
9 1 1 189.04 394.45 150.38 o
-9 2 1 3644.44 3701.11 197.81 o
-8 2 1 3667.91 3849.18 143.61 o
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-6 2 1 5873.79 5826.76 93.04 o
-5 2 1 10912.81 10732.88 146.74 o
-4 2 1 5891.38 6367.14 184.11 o
-3 2 1 5602.85 5647.92 70.37 o
-2 2 1 514.74 612.85 50.22 o
-1 2 1 145.22 210.73 52.80 o
0 2 1 69.70 112.66 52.88 o
1 2 1 51.34 107.13 50.89 o
2 2 1 266.62 346.99 48.13 o
3 2 1 5202.84 5277.69 170.57 o
4 2 1 6380.30 6804.51 140.97 o
5 2 1 10255.17 10378.68 104.78 o
6 2 1 5772.11 5636.51 107.68 o
7 2 1 4781.50 5067.73 122.13 o
8 2 1 3742.82 3796.16 158.57 o
9 2 1 3678.81 3697.27 196.15 o
-8 3 1 1064.24 1449.40 368.51 o
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-5 3 1 7855.51 8134.48 145.46 o
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-3 3 1 16396.04 17065.27 174.49 o
-2 3 1 16892.25 16995.17 756.25 o
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0 3 1 26653.42 28008.65 170.19 o
1 3 1 32374.98 32940.66 516.76 o
2 3 1 16233.34 16523.01 353.03 o
3 3 1 16593.15 17349.56 395.86 o
4 3 1 12460.06 12944.94 103.72 o
5 3 1 8224.53 8696.06 180.91 o
6 3 1 3228.40 3244.89 86.80 o
7 3 1 2450.08 2570.04 98.72 o
8 3 1 1016.49 1145.45 155.03 o
-8 4 1 2160.34 2270.81 178.37 o
-7 4 1 3946.40 3876.66 147.04 o
-6 4 1 3001.97 3408.85 164.11 o
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-4 4 1 4045.91 4362.37 97.54 o
-3 4 1 4539.35 4883.02 93.83 o
-2 4 1 2854.11 3177.48 131.36 o
-1 4 1 1247.78 1600.53 95.59 o
0 4 1 33.75 348.34 114.78 o
1 4 1 1319.39 1586.01 98.45 o
2 4 1 2719.19 2919.87 87.77 o
3 4 1 4191.14 4584.01 93.90 o
4 4 1 4143.57 4092.20 146.22 o
5 4 1 3216.90 3780.53 112.41 o
6 4 1 2913.37 3075.56 127.02 o
7 4 1 3760.61 3844.27 145.74 o
8 4 1 2280.91 2409.73 170.76 o
-8 5 1 465.50 504.70 268.48 o
-7 5 1 1351.59 1438.14 188.18 o
-6 5 1 1511.21 1521.33 100.63 o
-5 5 1 5073.57 5087.39 158.67 o
-4 5 1 6794.63 6824.34 221.69 o
-3 5 1 10362.17 10860.59 241.76 o
-2 5 1 9983.16 10119.77 436.78 o
-1 5 1 14125.54 15052.64 379.59 o
0 5 1 10534.72 11101.75 403.27 o
1 5 1 13921.87 14060.07 456.69 o
2 5 1 10071.46 9863.50 399.48 o
3 5 1 9469.75 10033.07 103.81 o
4 5 1 7109.05 7144.14 223.04 o
5 5 1 5678.18 5667.91 241.43 o
6 5 1 1634.08 1734.77 102.57 o
7 5 1 1386.84 1661.98 157.38 o
-7 6 1 2238.41 2386.23 181.72 o
-6 6 1 1682.80 1991.76 150.19 o
-5 6 1 3202.64 3102.87 232.48 o
-4 6 1 3182.33 3514.48 113.82 o
-3 6 1 1656.63 1686.36 54.36 o
-2 6 1 2404.16 2440.07 92.41 o
-1 6 1 1519.44 1535.22 69.80 o
0 6 1 665.24 663.22 57.33 o
1 6 1 1423.43 1586.19 78.66 o
2 6 1 2138.45 2147.65 73.42 o
3 6 1 1578.40 1609.29 69.66 o
4 6 1 2925.91 3096.64 71.72 o
5 6 1 3369.98 3477.65 142.31 o
6 6 1 1610.08 1758.48 115.62 o
7 6 1 2134.64 2200.86 180.69 o
-6 7 1 1041.66 1093.45 146.06 o
-5 7 1 2417.10 2345.55 110.44 o
-4 7 1 2832.92 2710.40 84.33 o
-3 7 1 4339.37 4154.43 183.54 o
-2 7 1 5032.96 4966.28 82.49 o
-1 7 1 6855.55 6624.79 185.05 o
0 7 1 5171.97 5196.79 167.48 o
1 7 1 7375.97 7443.44 189.14 o
2 7 1 4870.94 4935.70 176.86 o
3 7 1 4271.00 4350.74 80.77 o
4 7 1 2925.80 2983.10 106.97 o
5 7 1 2525.59 2669.08 123.42 o
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-5 8 1 889.12 814.82 145.58 o
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0 8 1 926.43 1009.84 99.32 o
1 8 1 704.16 933.31 99.93 o
2 8 1 708.95 862.11 82.58 o
3 8 1 887.66 1031.39 92.01 o
4 8 1 1007.39 929.98 113.80 o
5 8 1 923.47 870.17 108.44 o
-3 9 1 2309.52 2146.91 110.91 o
-2 9 1 2059.28 1933.21 89.14 o
-1 9 1 2550.25 2605.37 103.92 o
0 9 1 1925.19 1881.26 101.14 o
1 9 1 2554.74 2478.36 82.59 o
2 9 1 2095.66 2007.32 101.07 o
3 9 1 2178.90 2006.31 138.89 o
1 0 2 71140.01 62857.51 1942.76 o
2 0 2 706.99 765.70 79.65 o
3 0 2 29094.80 28856.79 184.58 o
4 0 2 904.69 1019.63 79.54 o
5 0 2 15091.60 15115.04 146.00 o
6 0 2 549.69 802.48 95.76 o
7 0 2 4589.02 4859.13 134.02 o
8 0 2 34.73 263.64 99.51 o
9 0 2 766.88 1221.83 168.89 o
-9 1 2 7706.07 7806.39 160.02 o
-8 1 2 21.05 120.47 97.72 o
-7 1 2 7233.36 7193.37 114.69 o
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-5 1 2 10744.48 10623.17 166.05 o
-4 1 2 795.43 1249.23 129.31 o
-3 1 2 5710.64 5873.63 83.00 o
-2 1 2 1377.51 1384.75 61.73 o
-1 1 2 1310.43 1389.13 68.31 o
0 1 2 648.51 615.50 53.28 o
1 1 2 1292.06 1397.05 56.28 o
2 1 2 1392.05 1425.62 82.98 o
3 1 2 5117.14 5056.76 95.18 o
4 1 2 629.96 871.09 76.93 o
5 1 2 10689.05 10595.06 185.71 o
6 1 2 190.75 340.29 88.26 o
7 1 2 6939.88 6896.85 206.49 o
8 1 2 46.79 79.68 143.24 o
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-9 2 2 1067.54 1234.75 179.83 o
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-6 2 2 507.23 656.86 70.53 o
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3 2 2 34811.48 35627.59 331.83 o
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8 2 2 20.25 275.08 142.91 o
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3 3 2 4589.19 4693.81 114.66 o
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5 3 2 10001.19 10845.13 278.05 o
6 3 2 444.25 542.44 77.23 o
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8 3 2 378.95 466.04 151.84 o
-8 4 2 53.31 200.48 172.04 o
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-6 4 2 116.55 306.52 115.84 o
-5 4 2 12191.67 12120.87 203.02 o
-4 4 2 115.70 250.27 60.93 o
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0 4 2 178.10 256.14 56.53 o
1 4 2 35219.27 38181.96 288.10 o
2 4 2 2743.97 2916.60 86.72 o
3 4 2 25706.42 26493.33 623.57 o
4 4 2 204.15 350.76 65.13 o
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0 5 2 641.08 734.29 53.39 o
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2 5 2 1214.22 1356.82 60.03 o
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-3 6 2 14564.59 14510.11 124.43 o
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0 6 2 528.19 589.85 66.51 o
1 6 2 18034.72 18037.54 602.08 o
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3 6 2 14005.26 12797.24 308.19 o
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3 7 2 1904.70 1968.88 75.96 o
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2 8 2 160.49 275.04 74.53 o
3 8 2 5819.67 6210.27 102.38 o
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5 8 2 2371.07 2144.81 125.51 o
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1 9 2 90.25 95.15 84.43 o
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3 9 2 972.36 987.91 134.51 o
1 0 3 4178.94 3608.26 365.46 o
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3 0 3 791.20 729.01 69.52 o
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-9 1 3 133.37 301.26 158.78 o
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-3 1 3 12165.30 12265.74 109.49 o
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3 1 3 13749.83 14101.46 140.69 o
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5 1 3 5181.74 5045.63 173.26 o
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