#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:04:03 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181903 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/03/2240314.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_2240314
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.1653
_cell_length_b                   27.6113
_cell_length_c                   29.6818
_exptl_crystal_F_000             2624.00
_reflns_d_resolution_high        0.7700
_cod_data_source_file            su5029Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' import in F 2 d d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            353.12
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, -z'
'x+1/4, -y+1/4, z+1/4'
'x+1/4, y+1/4, -z+1/4'
'x, y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'x+1/4, -y+3/4, z+3/4'
'x+1/4, y+3/4, -z+3/4'
'x+1/2, y, z+1/2'
'x+1/2, -y, -z+1/2'
'x+3/4, -y+1/4, z+3/4'
'x+3/4, y+1/4, -z+3/4'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, -z'
'x+3/4, -y+3/4, z+1/4'
'x+3/4, y+3/4, -z+1/4'
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
4 0 0 29989.41 31399.78 716.79 o
8 0 0 75.12 66.05 36.44 o
6 2 0 1973.20 2177.30 56.36 o
10 2 0 344.41 415.69 70.48 o
-4 4 0 19.32 58.17 15.22 o
0 4 0 22104.86 18895.85 1437.66 o
4 4 0 19.14 60.16 12.20 o
8 4 0 2640.62 2532.15 158.34 o
6 6 0 2067.95 1920.84 131.61 o
10 6 0 221.67 177.88 68.08 o
-4 8 0 6144.96 6251.31 278.39 o
0 8 0 15835.27 15275.63 616.41 o
4 8 0 6146.73 6006.21 257.35 o
8 8 0 3967.35 4384.31 237.81 o
-6 10 0 7525.35 7543.96 277.13 o
-2 10 0 7490.68 7572.20 191.36 o
2 10 0 7493.42 7648.72 297.15 o
6 10 0 7522.56 7751.09 344.61 o
10 10 0 104.66 295.59 84.62 o
-4 12 0 21857.08 21614.10 685.39 o
0 12 0 377.63 528.28 51.24 o
4 12 0 21840.85 20994.52 746.40 o
8 12 0 1919.00 1618.42 168.65 o
-6 14 0 22459.73 23249.19 753.23 o
-2 14 0 7432.17 7299.67 258.91 o
2 14 0 7440.51 7111.97 294.51 o
6 14 0 22475.28 22744.91 837.02 o
-4 16 0 6160.19 5469.93 192.14 o
0 16 0 7.22 56.35 18.94 o
4 16 0 6160.75 4930.30 251.72 o
8 16 0 266.11 300.02 94.81 o
-2 18 0 2174.70 2312.68 117.11 o
2 18 0 2179.31 2344.56 148.03 o
6 18 0 4827.03 4225.97 255.19 o
-4 20 0 23044.91 21268.65 695.58 o
0 20 0 15541.22 14687.99 371.78 o
4 20 0 23056.70 21559.33 800.70 o
8 20 0 1248.60 1292.15 170.09 o
-2 22 0 6155.73 5801.72 243.21 o
2 22 0 6158.74 5586.32 276.41 o
6 22 0 126.47 103.68 73.84 o
0 24 0 723.81 838.70 105.60 o
4 24 0 7900.38 7291.40 363.19 o
-2 26 0 3478.28 3446.37 182.20 o
2 26 0 3482.72 3860.50 233.86 o
6 26 0 1133.18 1215.31 169.73 o
0 28 0 9551.56 9821.28 421.57 o
4 28 0 85.15 70.00 73.00 o
2 30 0 4106.68 3957.11 254.23 o
0 32 0 3455.60 3602.67 229.66 o
4 32 0 125.74 277.01 106.56 o
2 34 0 937.38 1100.72 161.10 o
-3 1 1 19642.57 20203.25 270.29 o
3 1 1 19655.91 20221.44 232.44 o
5 1 1 2271.47 2458.77 41.77 o
7 1 1 427.48 433.48 36.73 o
9 1 1 306.62 293.73 26.16 o
-5 3 1 7115.27 7180.05 272.93 o
-3 3 1 5009.27 5002.85 75.69 o
-1 3 1 503.87 797.55 23.56 o
1 3 1 505.32 724.76 24.42 o
3 3 1 5010.85 4905.15 67.91 o
5 3 1 7113.20 7039.27 108.74 o
7 3 1 369.74 371.06 29.46 o
9 3 1 634.15 738.68 93.32 o
-5 5 1 431.62 468.07 50.46 o
-3 5 1 26985.12 27369.00 433.41 o
3 5 1 27008.55 27783.55 704.88 o
5 5 1 432.67 367.39 34.44 o
7 5 1 588.52 748.24 65.59 o
9 5 1 646.54 693.23 69.33 o
-5 7 1 2634.21 2974.85 90.60 o
-3 7 1 26116.81 26272.05 413.49 o
-1 7 1 1986.99 2153.89 44.77 o
1 7 1 1982.91 2025.84 109.86 o
3 7 1 26129.05 25685.74 844.88 o
5 7 1 2638.73 3023.99 176.74 o
7 7 1 5756.84 5929.40 197.88 o
9 7 1 1225.84 1110.61 91.82 o
-5 9 1 177.01 174.32 20.66 o
-3 9 1 33940.43 34450.00 1082.86 o
-1 9 1 31607.59 32575.64 522.16 o
1 9 1 31603.43 32945.82 755.91 o
3 9 1 33930.82 31641.97 1102.10 o
5 9 1 176.23 195.90 38.05 o
7 9 1 3518.86 3505.20 145.46 o
9 9 1 2633.46 2404.59 125.33 o
-7 11 1 6221.63 6872.71 270.06 o
-5 11 1 2405.54 2310.18 76.11 o
-3 11 1 50519.85 52933.46 1659.53 o
-1 11 1 7146.32 7640.02 137.99 o
1 11 1 7155.99 7500.65 201.17 o
3 11 1 50515.00 52237.11 1355.86 o
5 11 1 2405.23 2154.38 103.49 o
7 11 1 6218.91 6288.78 219.01 o
9 11 1 65.68 5.61 40.28 o
-5 13 1 2646.44 2719.76 75.42 o
-3 13 1 4407.15 4581.58 114.97 o
-1 13 1 2719.71 2652.44 61.98 o
1 13 1 2717.12 2579.72 70.21 o
3 13 1 4407.67 4814.42 160.61 o
5 13 1 2643.73 2738.50 123.58 o
7 13 1 9145.79 9442.76 299.46 o
9 13 1 51.13 46.40 48.89 o
-5 15 1 26852.57 25573.90 574.97 o
-3 15 1 6348.14 5934.63 149.29 o
-1 15 1 4928.45 5299.70 135.19 o
1 15 1 4923.29 5406.73 126.82 o
3 15 1 6348.52 5704.06 298.10 o
5 15 1 26848.26 25055.83 762.58 o
7 15 1 2063.00 1864.28 129.86 o
9 15 1 153.18 113.67 54.87 o
-5 17 1 4438.50 4085.53 104.77 o
-3 17 1 7474.13 7237.45 183.16 o
-1 17 1 1473.98 1495.54 47.93 o
1 17 1 1475.87 1520.42 47.70 o
3 17 1 7476.88 7674.93 236.89 o
5 17 1 4441.20 4357.14 175.90 o
7 17 1 4744.65 4351.69 189.34 o
9 17 1 101.65 176.71 61.44 o
-3 19 1 3162.06 3146.23 110.16 o
-1 19 1 431.60 439.29 48.19 o
1 19 1 430.52 464.32 27.73 o
3 19 1 3155.23 3294.20 138.83 o
5 19 1 5066.00 4991.65 195.36 o
7 19 1 175.07 86.31 47.15 o
-3 21 1 8908.20 8700.02 226.38 o
-1 21 1 6365.43 6139.64 184.58 o
1 21 1 6361.43 6060.12 124.85 o
3 21 1 8908.18 9049.74 309.91 o
5 21 1 67.85 53.12 45.02 o
7 21 1 674.09 798.49 96.11 o
-3 23 1 611.15 644.35 49.80 o
-1 23 1 2076.86 2164.80 109.62 o
1 23 1 2075.21 2178.65 102.91 o
3 23 1 612.17 619.32 71.83 o
5 23 1 970.96 1002.37 98.83 o
7 23 1 1013.15 872.38 103.21 o
-3 25 1 6612.52 6269.80 182.72 o
-1 25 1 15615.33 16253.90 422.47 o
1 25 1 15606.57 15729.60 428.64 o
3 25 1 6609.33 6402.73 514.70 o
5 25 1 363.72 223.34 60.42 o
7 25 1 871.90 864.07 145.58 o
-1 27 1 6887.41 7082.78 224.90 o
1 27 1 6887.68 7026.64 248.06 o
3 27 1 622.63 641.85 103.50 o
5 27 1 165.56 99.19 58.43 o
-1 29 1 1152.58 1137.82 141.14 o
1 29 1 1154.50 1321.39 107.56 o
3 29 1 921.89 999.33 103.86 o
5 29 1 62.21 14.35 58.79 o
-1 31 1 475.65 495.52 93.49 o
1 31 1 475.40 554.61 76.63 o
3 31 1 1811.06 1922.21 146.34 o
5 31 1 1017.58 1018.09 116.15 o
1 33 1 47.31 222.90 111.77 o
3 33 1 674.82 898.32 257.95 o
1 35 1 862.80 926.07 114.17 o
6 0 2 8041.06 8049.16 150.96 o
-4 2 2 1040.85 1228.62 74.68 o
-2 2 2 37868.15 38422.61 496.73 o
2 2 2 37860.76 37967.87 565.82 o
4 2 2 1040.03 1188.65 40.51 o
6 2 2 206.03 258.29 14.99 o
8 2 2 96.10 86.81 19.05 o
10 2 2 2429.35 2664.01 158.34 o
-6 4 2 461.51 409.46 57.30 o
-4 4 2 2655.71 2464.95 77.21 o
-2 4 2 109583.30 110854.81 2459.71 o
0 4 2 20939.14 20440.46 325.31 o
2 4 2 109583.48 109712.66 2090.89 o
4 4 2 2648.40 2456.86 71.89 o
6 4 2 461.32 415.20 44.35 o
8 4 2 2323.18 2530.64 110.76 o
10 4 2 1479.34 1338.62 89.70 o
-6 6 2 32.98 70.84 31.88 o
-4 6 2 56154.81 59013.30 929.30 o
-2 6 2 157.40 254.86 27.13 o
0 6 2 1019.46 775.54 26.23 o
2 6 2 158.99 290.28 32.72 o
4 6 2 56156.21 57486.14 1971.90 o
6 6 2 32.54 50.02 29.92 o
8 6 2 1408.33 1418.87 96.65 o
10 6 2 1234.64 1404.29 101.04 o
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-4 8 2 7384.51 7592.85 128.80 o
-2 8 2 3846.98 4061.74 93.53 o
0 8 2 33677.58 33487.16 534.16 o
2 8 2 3846.37 3866.44 119.76 o
4 8 2 7401.03 7286.38 211.64 o
6 8 2 951.91 1077.90 151.15 o
8 8 2 92.96 115.12 41.76 o
10 8 2 309.17 295.52 62.21 o
-6 10 2 6368.42 6930.61 261.91 o
-4 10 2 37842.45 36110.01 1143.27 o
-2 10 2 17025.43 16567.34 314.00 o
0 10 2 14233.92 13956.80 234.74 o
2 10 2 17038.02 16640.98 409.00 o
4 10 2 37835.98 36909.03 872.15 o
6 10 2 6374.46 6578.65 216.17 o
8 10 2 1168.58 1267.01 100.81 o
10 10 2 65.61 91.74 47.78 o
-6 12 2 8567.39 8369.59 302.18 o
-4 12 2 6077.31 5726.20 200.41 o
-2 12 2 3320.37 3472.32 93.88 o
0 12 2 7450.06 7380.74 136.07 o
2 12 2 3317.87 3399.17 124.72 o
4 12 2 6074.35 5497.52 181.03 o
6 12 2 8564.80 8134.93 517.82 o
8 12 2 3236.00 3372.86 232.18 o
-6 14 2 3615.89 3626.04 151.03 o
-4 14 2 4769.27 4290.82 157.38 o
-2 14 2 358.69 469.10 31.37 o
0 14 2 1500.46 1564.43 45.22 o
2 14 2 359.30 509.89 48.84 o
4 14 2 4769.95 4752.08 168.99 o
6 14 2 3617.82 3330.86 215.64 o
8 14 2 3031.71 3317.10 165.23 o
-4 16 2 3188.15 2816.77 77.66 o
-2 16 2 8910.49 8397.78 212.92 o
0 16 2 1237.97 999.14 50.64 o
2 16 2 8911.69 8597.69 442.12 o
4 16 2 3187.69 2758.98 166.73 o
6 16 2 179.74 243.91 60.83 o
8 16 2 398.78 295.59 63.55 o
-4 18 2 906.13 839.38 53.22 o
-2 18 2 572.31 502.49 40.30 o
0 18 2 992.14 1160.94 42.48 o
2 18 2 571.81 444.41 26.66 o
4 18 2 907.09 805.36 88.82 o
6 18 2 4031.96 4013.43 174.37 o
8 18 2 340.06 277.78 65.83 o
-4 20 2 1225.71 1063.42 101.47 o
-2 20 2 6463.73 6056.20 172.27 o
0 20 2 4847.61 4770.81 106.52 o
2 20 2 6462.91 5852.84 156.76 o
4 20 2 1225.79 1096.83 95.58 o
6 20 2 2749.34 2479.22 137.32 o
8 20 2 409.96 349.43 82.41 o
-4 22 2 595.40 618.62 61.61 o
-2 22 2 383.12 370.53 43.63 o
0 22 2 4071.76 3897.64 95.31 o
2 22 2 385.11 369.17 55.39 o
4 22 2 595.78 606.12 79.35 o
6 22 2 1463.81 1468.80 154.93 o
8 22 2 151.31 104.39 54.37 o
-2 24 2 4341.66 4145.57 140.69 o
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2 24 2 4343.84 4022.95 254.47 o
4 24 2 3398.25 3484.10 193.16 o
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0 26 2 341.43 351.27 56.68 o
2 26 2 560.66 672.57 78.26 o
4 26 2 283.16 194.28 56.45 o
6 26 2 100.46 56.38 52.46 o
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0 28 2 4537.61 5110.55 256.69 o
2 28 2 673.76 766.69 84.03 o
4 28 2 864.79 670.63 89.73 o
6 28 2 7.73 8.60 52.91 o
0 30 2 10442.08 10081.75 310.01 o
2 30 2 515.06 582.57 135.63 o
4 30 2 647.76 573.43 147.07 o
0 32 2 63.26 179.56 54.14 o
2 32 2 1357.80 1429.89 123.44 o
4 32 2 246.06 193.21 99.61 o
2 34 2 1344.96 1458.99 126.64 o
-5 1 3 1673.02 1728.61 75.98 o
-3 1 3 23055.08 24749.72 515.86 o
-1 1 3 40755.59 38761.87 497.53 o
1 1 3 40714.88 37678.03 483.62 o
3 1 3 23044.49 24252.08 296.37 o
5 1 3 1671.26 1735.37 41.83 o
7 1 3 129.80 173.58 21.41 o
9 1 3 71.55 80.44 23.57 o
-5 3 3 6339.54 6723.24 260.71 o
-3 3 3 40186.43 41570.65 592.68 o
-1 3 3 15151.42 13690.53 198.55 o
1 3 3 15138.54 13834.36 226.04 o
3 3 3 40178.59 40777.29 489.07 o
5 3 3 6337.29 6371.10 92.11 o
7 3 3 210.56 243.84 17.26 o
9 3 3 165.26 210.42 42.81 o
-7 5 3 2992.82 3411.84 176.44 o
-5 5 3 5062.23 5227.44 208.69 o
-3 5 3 5745.36 5852.56 117.07 o
-1 5 3 85361.63 79751.95 2876.41 o
1 5 3 85370.42 82939.18 2606.06 o
3 5 3 5741.06 5833.01 110.81 o
5 5 3 5060.13 4777.34 198.63 o
7 5 3 2991.64 2908.88 66.52 o
9 5 3 73.37 45.76 75.63 o
-7 7 3 5587.46 6141.66 259.99 o
-5 7 3 10890.02 10943.46 382.37 o
-3 7 3 2491.08 2630.13 72.42 o
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1 7 3 30020.15 28907.10 465.71 o
3 7 3 2492.37 2680.32 96.75 o
5 7 3 10879.45 10268.10 283.28 o
7 7 3 5590.26 5487.58 204.25 o
9 7 3 3252.22 3180.06 207.61 o
-7 9 3 1918.32 1932.47 120.94 o
-5 9 3 8493.60 8610.64 305.42 o
-3 9 3 2654.77 2445.97 97.69 o
-1 9 3 2678.63 2874.94 60.29 o
1 9 3 2671.85 2899.74 72.64 o
3 9 3 2652.47 2496.69 97.55 o
5 9 3 8497.76 8588.02 251.76 o
7 9 3 1918.31 1842.47 102.61 o
9 9 3 874.81 886.00 168.95 o
-7 11 3 2248.09 2297.46 130.77 o
-5 11 3 1238.85 1361.01 48.95 o
-3 11 3 858.13 847.69 50.10 o
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1 11 3 5172.87 4835.55 111.71 o
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7 11 3 2245.84 2195.38 116.23 o
9 11 3 2071.07 2043.63 222.29 o
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1 13 3 2210.03 2240.34 66.11 o
3 13 3 5159.18 5295.78 233.92 o
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7 13 3 3892.39 3973.77 169.23 o
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-5 15 3 3167.23 3204.12 131.49 o
-3 15 3 1135.22 1023.88 46.63 o
-1 15 3 3209.40 3440.36 107.42 o
1 15 3 3215.24 3374.36 91.13 o
3 15 3 1137.84 1066.96 77.32 o
5 15 3 3171.70 3041.20 333.29 o
7 15 3 10548.55 9740.74 594.83 o
9 15 3 429.48 387.13 133.11 o
-5 17 3 758.10 725.07 54.90 o
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1 17 3 1628.48 1649.52 80.70 o
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5 17 3 759.44 679.97 75.71 o
7 17 3 4866.62 4649.42 232.66 o
9 17 3 386.70 373.25 74.29 o
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-1 19 3 1036.06 1118.69 60.56 o
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3 19 3 10284.53 10525.32 308.73 o
5 19 3 51.24 52.84 72.10 o
7 19 3 1787.43 1780.36 132.84 o
-3 21 3 2222.91 2174.59 81.89 o
-1 21 3 2089.98 1938.26 87.97 o
1 21 3 2092.50 1642.43 159.94 o
3 21 3 2222.35 2269.01 119.12 o
5 21 3 4832.17 4638.33 191.01 o
7 21 3 601.31 508.24 81.17 o
-3 23 3 390.05 374.02 40.51 o
-1 23 3 6366.65 6456.00 197.69 o
1 23 3 6363.96 6171.95 168.38 o
3 23 3 390.24 346.22 119.51 o
5 23 3 1259.04 1193.39 108.95 o
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-3 25 3 272.58 292.83 58.61 o
-1 25 3 8287.61 8564.32 251.47 o
1 25 3 8294.11 8554.98 266.82 o
3 25 3 270.42 207.92 53.91 o
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7 25 3 193.85 171.04 66.58 o
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3 27 3 338.19 363.15 68.72 o
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-1 29 3 1380.45 1580.32 112.31 o
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3 29 3 55.05 96.20 50.80 o
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2 4 4 7698.73 7621.41 204.52 o
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0 6 4 714.36 607.85 23.24 o
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8 8 4 305.60 197.95 48.76 o
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0 10 4 214.66 264.90 17.69 o
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