#------------------------------------------------------------------------------
#$Date: 2018-01-17 08:24:56 +0200 (Wed, 17 Jan 2018) $
#$Revision: 205306 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/09/2020904.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_2020904
_cell_angle_alpha                88.793
_cell_angle_beta                 76.567
_cell_angle_gamma                70.219
_cell_length_a                   8.1313
_cell_length_b                   11.2960
_cell_length_c                   11.4294
_exptl_crystal_F_000             580.00
_reflns_d_resolution_high        0.8000
_cod_data_source_file            sk3673chi47sup3.hkl
_cod_data_source_block           chi47
_shelx_title                     ' CHI47 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            294.72
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0 783.82 970.32 17.77 o
2 0 0 4935.46 5935.93 69.84 o
3 0 0 7583.63 8538.05 170.92 o
4 0 0 8155.71 8847.41 149.12 o
5 0 0 497.11 491.36 28.66 o
6 0 0 1694.12 1665.47 61.50 o
7 0 0 4719.67 4991.85 154.69 o
8 0 0 2358.96 2420.31 115.42 o
9 0 0 551.16 493.38 53.46 o
-9 1 0 1163.91 897.28 104.33 o
-8 1 0 680.82 594.94 59.70 o
-7 1 0 5206.25 5289.13 132.36 o
-6 1 0 5906.82 6236.57 169.41 o
-5 1 0 240.33 263.94 23.90 o
-4 1 0 5366.29 5959.90 107.39 o
-3 1 0 7337.54 8014.64 121.83 o
-2 1 0 345.60 387.91 16.40 o
-1 1 0 6301.94 6963.50 100.52 o
1 1 0 30495.18 34470.48 826.50 o
2 1 0 4351.08 5194.48 58.17 o
3 1 0 3414.92 3347.80 53.95 o
4 1 0 15822.12 17359.10 409.85 o
5 1 0 247.14 238.97 25.05 o
6 1 0 2412.92 2599.32 87.91 o
7 1 0 3693.44 4024.98 121.59 o
8 1 0 2738.91 2877.30 112.35 o
9 1 0 520.26 433.83 47.78 o
-8 2 0 157.55 179.99 52.41 o
-7 2 0 2206.28 2217.60 86.33 o
-6 2 0 7716.91 8162.84 138.71 o
-5 2 0 2364.50 2557.88 67.99 o
-4 2 0 3428.94 3663.19 68.36 o
-3 2 0 5337.56 5686.57 108.00 o
-2 2 0 10925.26 11207.06 125.45 o
-1 2 0 7.11 19.18 3.05 o
0 2 0 20237.52 22762.96 173.30 o
1 2 0 11613.77 13612.74 187.35 o
2 2 0 199.24 160.41 9.22 o
3 2 0 12855.28 14084.65 153.18 o
4 2 0 6658.61 6788.57 103.89 o
5 2 0 1553.69 1543.47 55.59 o
6 2 0 27.42 41.85 14.89 o
7 2 0 4163.92 4383.37 115.65 o
8 2 0 1424.80 1405.94 71.20 o
9 2 0 4.89 -27.29 48.21 o
-8 3 0 92.06 69.57 59.30 o
-7 3 0 1350.17 1363.67 96.96 o
-6 3 0 5158.87 5292.36 117.69 o
-5 3 0 4099.43 4157.71 86.50 o
-4 3 0 2068.55 2122.64 54.60 o
-3 3 0 7723.31 8139.08 166.55 o
-2 3 0 10924.00 10313.53 181.14 o
-1 3 0 1350.05 1332.72 22.08 o
0 3 0 3200.29 3313.14 32.02 o
1 3 0 6664.66 7571.74 71.49 o
2 3 0 6619.66 7010.25 83.15 o
3 3 0 5838.33 6371.37 84.23 o
4 3 0 19390.95 21568.68 244.39 o
5 3 0 4467.66 4690.09 105.92 o
6 3 0 9.70 14.41 13.93 o
7 3 0 3340.73 3563.58 110.93 o
8 3 0 1735.29 1864.62 87.66 o
9 3 0 7.60 -31.54 31.54 o
-7 4 0 55.29 116.05 40.67 o
-6 4 0 5332.70 5438.41 148.42 o
-5 4 0 1039.32 1092.71 48.74 o
-4 4 0 21.03 84.18 13.07 o
-3 4 0 10782.20 10550.83 287.91 o
-2 4 0 13714.43 14062.57 143.70 o
-1 4 0 212.98 199.26 10.87 o
0 4 0 1063.27 1169.10 18.73 o
1 4 0 5185.31 5582.35 58.52 o
2 4 0 4216.64 4741.37 61.94 o
3 4 0 2037.04 2137.14 54.30 o
4 4 0 11888.80 12550.55 367.53 o
5 4 0 10292.90 10513.76 168.74 o
6 4 0 173.10 190.49 25.00 o
7 4 0 1801.60 1901.14 79.53 o
8 4 0 2423.69 2320.64 96.79 o
9 4 0 628.21 510.62 63.79 o
-7 5 0 453.58 268.76 51.31 o
-6 5 0 1700.12 1747.30 87.26 o
-5 5 0 3100.98 3342.43 112.21 o
-4 5 0 23.07 47.45 11.97 o
-3 5 0 2174.95 2226.96 71.01 o
-2 5 0 22920.14 23368.89 217.72 o
-1 5 0 75.87 84.12 15.07 o
0 5 0 817.72 923.75 51.65 o
1 5 0 1903.21 1890.39 30.58 o
2 5 0 10483.85 11772.03 136.50 o
3 5 0 1804.68 1741.86 47.51 o
4 5 0 3205.38 3296.96 115.17 o
5 5 0 7650.49 7767.00 331.51 o
6 5 0 3038.29 3115.32 92.30 o
7 5 0 2277.14 2496.06 116.42 o
8 5 0 2002.37 2051.22 130.65 o
9 5 0 2545.78 2549.77 148.05 o
-6 6 0 1076.87 1072.76 92.36 o
-5 6 0 2540.02 2589.25 105.00 o
-4 6 0 587.22 628.56 49.06 o
-3 6 0 1211.58 1291.88 63.63 o
-2 6 0 5819.80 5656.67 122.46 o
-1 6 0 7503.08 7329.08 116.83 o
0 6 0 322.58 328.83 42.75 o
1 6 0 4693.10 4670.22 59.62 o
2 6 0 5995.41 6577.34 113.24 o
3 6 0 4176.99 4444.24 66.07 o
4 6 0 2936.81 2879.56 113.47 o
5 6 0 6369.43 6528.40 174.26 o
6 6 0 2781.45 2649.52 71.28 o
7 6 0 755.90 837.28 43.47 o
8 6 0 3221.40 3280.99 96.31 o
9 6 0 2602.44 2313.64 165.91 o
-6 7 0 707.40 673.62 75.90 o
-5 7 0 2300.40 2297.73 104.26 o
-4 7 0 2429.70 2514.88 101.95 o
-3 7 0 268.06 298.41 34.53 o
-2 7 0 6049.14 6478.14 120.54 o
-1 7 0 3330.72 3215.33 80.04 o
0 7 0 605.88 617.31 38.43 o
1 7 0 6684.52 6662.37 98.66 o
2 7 0 10157.54 11185.00 199.52 o
3 7 0 2169.67 2236.68 39.29 o
4 7 0 91.54 88.48 12.28 o
5 7 0 6221.36 6288.96 244.47 o
6 7 0 1024.40 1029.77 62.98 o
7 7 0 26.99 37.90 31.53 o
8 7 0 2476.13 2469.23 140.13 o
9 7 0 4109.86 4114.14 256.65 o
-5 8 0 2095.04 2020.78 126.60 o
-4 8 0 1961.62 2013.07 96.57 o
-3 8 0 334.13 316.37 38.64 o
-2 8 0 2256.46 2251.69 72.94 o
-1 8 0 4735.35 4792.66 118.88 o
0 8 0 1123.83 1012.34 52.25 o
1 8 0 3139.95 3301.46 75.62 o
2 8 0 10402.19 11346.25 242.21 o
3 8 0 3832.06 4104.48 79.95 o
4 8 0 69.32 56.90 17.47 o
5 8 0 2337.07 2298.04 108.55 o
6 8 0 2215.91 2238.31 120.93 o
7 8 0 10.08 -3.20 19.60 o
8 8 0 643.02 616.00 48.45 o
9 8 0 2652.67 2869.70 247.89 o
-4 9 0 3002.56 3028.39 153.19 o
-3 9 0 75.02 91.28 59.71 o
-2 9 0 214.99 197.09 39.59 o
-1 9 0 3988.39 3904.96 113.65 o
0 9 0 1140.69 1124.00 58.11 o
1 9 0 636.97 671.13 31.84 o
2 9 0 4312.78 4818.57 131.25 o
3 9 0 6178.46 6664.72 218.82 o
4 9 0 111.98 129.47 17.77 o
5 9 0 1841.13 1838.42 83.82 o
6 9 0 2391.06 2358.80 131.17 o
7 9 0 663.35 719.67 46.14 o
8 9 0 290.37 298.51 45.30 o
9 9 0 1690.29 1890.76 175.73 o
-4 10 0 2373.54 2210.18 138.72 o
-3 10 0 683.57 636.74 80.99 o
-2 10 0 489.47 466.01 58.56 o
-1 10 0 1622.74 1669.69 100.21 o
0 10 0 2212.93 2231.74 87.64 o
1 10 0 543.67 493.74 38.00 o
2 10 0 836.40 950.21 39.63 o
3 10 0 3288.09 3666.27 143.64 o
4 10 0 677.62 708.46 36.62 o
5 10 0 2199.76 2208.65 92.83 o
6 10 0 1975.12 2206.55 250.57 o
7 10 0 1808.46 1867.85 87.62 o
8 10 0 69.71 25.74 23.76 o
-3 11 0 714.80 691.79 79.43 o
-2 11 0 9.52 5.93 47.17 o
-1 11 0 1446.66 1408.23 96.77 o
0 11 0 1043.92 1049.71 83.41 o
1 11 0 719.23 774.48 52.55 o
2 11 0 1021.08 1099.68 56.35 o
3 11 0 1639.86 1847.34 94.64 o
4 11 0 475.90 508.06 38.48 o
5 11 0 749.09 864.29 69.51 o
6 11 0 2769.46 3052.95 193.65 o
7 11 0 1180.52 1269.06 81.87 o
8 11 0 11.10 -27.30 27.30 o
-2 12 0 29.60 82.08 38.51 o
-1 12 0 1333.24 1274.81 98.72 o
0 12 0 1550.32 1597.36 81.26 o
1 12 0 141.52 197.00 36.67 o
2 12 0 62.82 54.97 21.21 o
3 12 0 1564.76 1775.10 88.24 o
4 12 0 602.74 668.42 45.13 o
5 12 0 13.28 75.82 21.09 o
6 12 0 1339.17 1544.59 102.59 o
7 12 0 1915.65 2199.65 99.22 o
0 13 0 1716.15 1711.43 90.27 o
1 13 0 714.70 799.60 70.48 o
2 13 0 55.55 27.51 28.57 o
3 13 0 834.81 948.87 66.96 o
4 13 0 955.93 1069.54 63.74 o
5 13 0 3.14 33.69 26.47 o
6 13 0 391.01 471.92 43.17 o
3 14 0 580.15 477.52 67.30 o
4 14 0 682.85 840.30 75.50 o
-4 -14 1 1.81 54.75 33.31 o
-3 -14 1 477.50 550.55 63.65 o
-6 -13 1 395.49 405.35 42.00 o
-5 -13 1 738.32 909.09 66.08 o
-4 -13 1 6.21 -12.13 22.25 o
-3 -13 1 200.23 219.74 34.91 o
-2 -13 1 1470.50 1628.73 98.09 o
-1 -13 1 1321.28 1474.77 123.44 o
0 -13 1 75.93 172.24 35.91 o
-7 -12 1 240.96 206.37 38.58 o
-6 -12 1 150.76 189.36 30.22 o
-5 -12 1 1607.75 1875.35 103.53 o
-4 -12 1 101.82 112.85 25.14 o
-3 -12 1 295.16 363.40 34.92 o
-2 -12 1 672.70 750.63 47.21 o
-1 -12 1 1277.64 1307.74 92.95 o
0 -12 1 28.99 117.70 31.57 o
1 -12 1 581.86 555.55 57.01 o
2 -12 1 834.13 817.04 85.47 o
-8 -11 1 1156.36 1196.24 104.54 o
-7 -11 1 1027.33 1064.11 103.00 o
-6 -11 1 317.60 324.64 41.13 o
-5 -11 1 1579.24 1881.06 106.75 o
-4 -11 1 1176.94 1294.86 76.66 o
-3 -11 1 6.80 -16.72 16.72 o
-2 -11 1 1018.50 1120.92 68.14 o
-1 -11 1 1738.78 1885.68 71.97 o
0 -11 1 196.68 192.24 33.73 o
1 -11 1 834.89 853.68 65.91 o
2 -11 1 1578.63 1645.97 112.92 o
3 -11 1 702.27 659.40 77.64 o
-8 -10 1 1210.97 1168.49 123.93 o
-7 -10 1 722.44 737.02 84.49 o
-6 -10 1 27.37 42.63 25.23 o
-5 -10 1 3539.37 3925.16 104.86 o
-4 -10 1 1916.84 2252.66 169.03 o
-3 -10 1 848.74 855.42 45.69 o
-2 -10 1 1328.94 1381.20 50.77 o
-1 -10 1 2441.77 2672.77 130.00 o
0 -10 1 324.37 378.59 33.25 o
1 -10 1 191.08 249.17 42.38 o
2 -10 1 3897.89 3976.17 164.21 o
3 -10 1 1547.95 1639.83 115.20 o
4 -10 1 14.15 77.61 53.43 o
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-8 -9 1 1302.41 1323.73 89.70 o
-7 -9 1 1030.76 995.52 103.36 o
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-5 -9 1 2308.23 2358.57 76.97 o
-4 -9 1 5697.85 6318.48 227.78 o
-3 -9 1 1197.37 1246.93 42.34 o
-2 -9 1 426.24 405.69 27.71 o
-1 -9 1 4146.74 4438.65 111.04 o
0 -9 1 1449.51 1554.10 61.40 o
1 -9 1 363.66 358.88 54.99 o
2 -9 1 2319.43 2319.23 98.74 o
3 -9 1 3052.05 2894.28 116.80 o
4 -9 1 292.28 375.64 49.41 o
5 -9 1 480.47 407.98 54.19 o
-9 -8 1 48.84 6.06 27.57 o
-8 -8 1 584.23 673.57 63.60 o
-7 -8 1 2147.89 2154.73 110.16 o
-6 -8 1 105.85 70.25 17.39 o
-5 -8 1 2271.81 2227.52 123.97 o
-4 -8 1 6275.15 6807.78 221.96 o
-3 -8 1 5261.39 5385.99 138.30 o
-2 -8 1 1171.84 1118.05 34.59 o
-1 -8 1 3894.42 4095.21 115.12 o
0 -8 1 4692.76 4793.40 152.57 o
1 -8 1 16.16 99.48 29.11 o
2 -8 1 3496.08 3449.89 119.51 o
3 -8 1 1808.91 1718.59 83.93 o
4 -8 1 1004.43 970.08 69.10 o
5 -8 1 220.87 155.12 33.76 o
-9 -7 1 136.10 130.88 36.35 o
-8 -7 1 863.17 783.16 54.66 o
-7 -7 1 5323.80 5384.65 316.38 o
-6 -7 1 39.94 54.82 21.25 o
-5 -7 1 866.04 856.71 40.23 o
-4 -7 1 4098.14 4198.58 158.49 o
-3 -7 1 3604.81 3441.58 105.51 o
-2 -7 1 139.50 239.81 13.73 o
-1 -7 1 4744.85 4605.30 69.16 o
0 -7 1 6752.13 6316.43 182.72 o
1 -7 1 2773.73 2778.17 71.26 o
2 -7 1 1595.27 1698.00 74.07 o
3 -7 1 4264.58 4432.93 128.63 o
4 -7 1 998.02 1052.67 67.69 o
5 -7 1 415.81 418.60 61.49 o
6 -7 1 1930.24 2069.31 131.84 o
-9 -6 1 400.30 371.93 43.04 o
-8 -6 1 672.84 642.66 52.70 o
-7 -6 1 3090.70 3074.11 138.88 o
-6 -6 1 4237.96 4385.09 176.85 o
-5 -6 1 0.88 18.98 8.33 o
-4 -6 1 6437.49 6397.56 316.54 o
-3 -6 1 3278.43 3306.12 97.70 o
-2 -6 1 135.75 175.59 10.41 o
-1 -6 1 1579.55 1433.16 34.44 o
0 -6 1 14483.26 14093.95 141.21 o
1 -6 1 2779.65 2956.76 71.02 o
2 -6 1 13.39 122.64 29.49 o
3 -6 1 3284.08 3407.03 105.03 o
4 -6 1 1619.52 1737.04 80.66 o
5 -6 1 130.66 90.61 28.34 o
6 -6 1 1255.92 1195.66 77.19 o
7 -6 1 1370.71 1248.15 105.69 o
-9 -5 1 785.37 807.54 72.22 o
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-4 -5 1 1952.68 1716.54 111.25 o
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-2 -5 1 1456.03 1631.20 50.99 o
-1 -5 1 151.07 155.95 9.74 o
0 -5 1 25429.35 24994.68 193.12 o
1 -5 1 9163.56 9036.65 117.77 o
2 -5 1 31.70 547.17 83.42 o
3 -5 1 2178.35 1729.23 183.68 o
4 -5 1 7741.40 7964.29 165.36 o
5 -5 1 349.56 378.46 41.29 o
6 -5 1 612.92 607.14 54.34 o
7 -5 1 800.61 747.78 78.89 o
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-8 -4 1 51.18 -17.32 24.04 o
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3 -4 1 3150.11 2963.27 144.77 o
4 -4 1 8891.82 8932.39 172.09 o
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-3 -3 1 6062.70 6457.93 253.59 o
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0 -3 1 15956.04 16317.47 165.04 o
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2 0 1 23472.77 24557.94 216.90 o
3 0 1 484.48 522.07 21.41 o
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5 0 1 5660.94 5945.62 307.60 o
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8 0 1 2927.33 3071.61 129.09 o
9 0 1 2203.69 2055.17 114.88 o
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-6 1 1 2510.95 2539.08 72.09 o
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-3 1 1 1001.15 979.12 31.84 o
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0 1 1 213.13 238.18 5.84 o
1 1 1 5024.51 5391.31 141.99 o
2 1 1 14248.97 15800.24 157.69 o
3 1 1 5026.63 5174.78 73.19 o
4 1 1 1393.26 1669.92 55.52 o
5 1 1 6250.63 6422.54 157.47 o
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