#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:07:28 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181906 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/06/2240683.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_2240683
_cell_angle_alpha                73.597
_cell_angle_beta                 75.596
_cell_angle_gamma                89.404
_cell_length_a                   7.1445
_cell_length_b                   7.4876
_cell_length_c                   8.6362
_exptl_crystal_F_000             348.00
_reflns_d_resolution_high        0.6669
_cod_data_source_file            lh5757Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' newchris_a.res in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            187.52
_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'
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 2514.70 2682.93 59.39 o
3 0 0 7750.79 7750.66 104.43 o
4 0 0 8819.38 8980.98 124.67 o
5 0 0 547.95 538.03 25.23 o
6 0 0 2426.76 2434.46 100.35 o
7 0 0 4429.29 4343.32 158.23 o
8 0 0 710.62 684.89 67.29 o
9 0 0 36.02 15.72 30.76 o
10 0 0 1801.14 1529.09 154.57 o
-10 1 0 9.98 5.40 20.98 o
-9 1 0 944.17 981.20 99.62 o
-8 1 0 3464.73 3408.89 149.69 o
-7 1 0 1896.24 1917.09 154.36 o
-6 1 0 324.98 359.02 36.18 o
-5 1 0 2460.72 2528.31 57.24 o
-4 1 0 5307.04 5546.83 91.60 o
-3 1 0 1146.53 1196.70 32.48 o
-2 1 0 14291.58 13853.90 207.33 o
-1 1 0 24785.34 24193.20 378.71 o
1 1 0 2431.41 2664.12 55.93 o
2 1 0 10942.70 11384.32 160.77 o
3 1 0 10637.75 10804.33 169.03 o
4 1 0 4.78 41.72 13.98 o
5 1 0 5652.44 5785.19 126.98 o
6 1 0 1329.87 1438.98 66.42 o
7 1 0 575.48 554.86 57.37 o
8 1 0 207.60 175.90 39.59 o
9 1 0 3554.72 3865.94 208.46 o
-10 2 0 1114.65 1203.92 126.56 o
-9 2 0 3237.03 3496.04 164.39 o
-8 2 0 832.93 808.61 73.16 o
-7 2 0 747.86 733.13 63.24 o
-6 2 0 1646.97 1771.52 66.42 o
-5 2 0 2727.64 2664.17 77.02 o
-4 2 0 666.85 710.49 28.61 o
-3 2 0 11089.23 11287.11 174.80 o
-2 2 0 28694.64 26982.86 287.70 o
-1 2 0 3902.22 3913.49 75.53 o
0 2 0 2875.90 3084.31 85.64 o
1 2 0 24581.66 23858.06 336.12 o
2 2 0 18312.95 18520.04 286.65 o
3 2 0 0.75 0.57 15.43 o
4 2 0 4684.96 4852.79 118.51 o
5 2 0 4222.43 4256.40 118.48 o
6 2 0 541.02 574.47 44.19 o
7 2 0 424.69 462.86 56.17 o
8 2 0 4196.58 4255.30 297.49 o
9 2 0 2406.96 2700.88 250.32 o
-9 3 0 195.62 164.51 40.20 o
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-6 3 0 3207.69 3269.55 97.16 o
-5 3 0 3.95 27.28 15.12 o
-4 3 0 6687.77 6609.14 128.30 o
-3 3 0 11062.57 11117.99 169.31 o
-2 3 0 2641.70 2568.84 65.67 o
-1 3 0 798.98 726.51 48.03 o
0 3 0 31882.56 30968.46 458.97 o
1 3 0 21187.83 20573.06 261.83 o
2 3 0 620.65 651.50 59.77 o
3 3 0 4904.97 4848.60 159.59 o
4 3 0 2398.17 2583.06 103.36 o
5 3 0 951.65 995.01 67.39 o
6 3 0 1308.40 1192.14 82.02 o
7 3 0 4542.82 4777.93 213.16 o
8 3 0 1252.21 1306.34 134.98 o
9 3 0 1.41 4.72 41.29 o
-9 4 0 510.82 499.63 83.48 o
-8 4 0 1159.21 1065.17 115.03 o
-7 4 0 1716.97 1703.76 77.02 o
-6 4 0 26.01 -11.26 18.86 o
-5 4 0 3131.48 3131.78 94.69 o
-4 4 0 2861.49 2904.59 101.11 o
-3 4 0 1710.94 1543.09 58.53 o
-2 4 0 4652.02 4568.87 107.32 o
-1 4 0 19646.78 18971.15 374.69 o
0 4 0 8500.82 7937.10 177.19 o
1 4 0 348.63 287.73 35.75 o
2 4 0 6306.04 5836.60 349.14 o
3 4 0 5469.64 5116.62 192.97 o
4 4 0 605.20 524.33 65.90 o
5 4 0 3074.96 2910.55 160.22 o
6 4 0 3705.51 3605.68 150.05 o
7 4 0 604.09 679.87 69.80 o
8 4 0 1.91 43.81 33.60 o
9 4 0 1597.51 1671.77 206.08 o
-8 5 0 1270.29 1118.40 120.36 o
-7 5 0 179.18 180.22 33.69 o
-6 5 0 2093.73 1995.22 83.05 o
-5 5 0 2611.24 2541.02 90.04 o
-4 5 0 710.83 695.19 45.60 o
-3 5 0 1697.22 1800.88 67.04 o
-2 5 0 20639.79 19568.54 335.94 o
-1 5 0 7753.90 7571.56 174.65 o
0 5 0 316.50 331.68 38.05 o
1 5 0 5377.43 5515.43 116.62 o
2 5 0 10310.93 9886.75 226.11 o
3 5 0 582.84 541.21 63.83 o
4 5 0 2219.12 1917.61 128.54 o
5 5 0 2993.27 2727.88 162.86 o
6 5 0 619.84 673.90 117.26 o
7 5 0 66.02 24.59 43.64 o
8 5 0 2035.21 1840.44 212.03 o
-8 6 0 143.58 182.66 53.46 o
-7 6 0 803.04 825.81 71.39 o
-6 6 0 1231.57 1096.32 77.26 o
-5 6 0 351.80 398.59 39.19 o
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-3 6 0 6834.73 7367.76 499.80 o
-2 6 0 2196.46 2079.55 90.51 o
-1 6 0 258.00 323.58 38.43 o
0 6 0 7115.32 6935.81 149.73 o
1 6 0 8651.83 8263.08 246.53 o
2 6 0 163.56 163.20 42.75 o
3 6 0 4587.05 4466.60 253.98 o
4 6 0 1577.83 1379.62 116.72 o
5 6 0 298.42 266.02 58.09 o
6 6 0 193.57 216.42 56.22 o
7 6 0 3596.07 3527.03 214.41 o
-7 7 0 857.06 844.37 112.86 o
-6 7 0 61.23 19.10 28.82 o
-5 7 0 1842.43 1958.17 120.42 o
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-2 7 0 267.87 234.72 33.75 o
-1 7 0 7754.13 7649.19 211.15 o
0 7 0 8519.92 8604.03 230.00 o
1 7 0 37.19 28.56 23.53 o
2 7 0 1855.93 1840.35 106.73 o
3 7 0 2535.61 2656.15 164.09 o
4 7 0 712.75 712.67 88.97 o
5 7 0 496.72 645.64 90.62 o
6 7 0 2828.48 2626.86 186.09 o
-7 8 0 0.31 31.84 79.85 o
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-5 8 0 1735.28 1459.18 152.26 o
-4 8 0 500.27 363.66 68.68 o
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-1 8 0 6079.80 6644.90 207.60 o
0 8 0 0.15 1.52 24.53 o
1 8 0 2071.04 2082.39 115.37 o
2 8 0 2352.13 2372.02 123.40 o
3 8 0 680.32 636.90 89.01 o
4 8 0 876.36 749.99 97.95 o
5 8 0 2594.08 2782.18 191.56 o
-5 9 0 314.77 319.86 141.37 o
-4 9 0 699.31 635.71 93.74 o
-3 9 0 4587.65 4767.53 251.93 o
-2 9 0 2071.13 2091.14 345.18 o
-1 9 0 3.58 -41.12 41.12 o
0 9 0 1804.53 1947.53 117.28 o
1 9 0 3229.27 3517.82 160.85 o
2 9 0 660.82 808.60 146.30 o
3 9 0 1301.44 1314.10 128.55 o
4 9 0 1905.05 1834.28 157.31 o
-3 10 0 1450.61 1633.69 218.01 o
-2 10 0 4.04 -41.11 41.11 o
-1 10 0 1279.41 1602.45 147.04 o
0 10 0 3658.18 3928.89 232.39 o
1 10 0 372.93 365.13 67.85 o
2 10 0 745.26 600.61 121.29 o
-1 -10 1 1865.63 2001.68 212.70 o
0 -10 1 2.01 102.07 52.13 o
1 -10 1 826.08 937.49 240.80 o
2 -10 1 1108.68 1267.74 190.17 o
-3 -9 1 2416.27 2296.47 172.83 o
-2 -9 1 1525.69 1593.58 429.76 o
-1 -9 1 10.55 41.54 28.57 o
0 -9 1 1280.92 1304.48 98.93 o
1 -9 1 1636.24 1759.72 149.74 o
2 -9 1 284.43 223.93 106.61 o
3 -9 1 1340.83 1357.76 134.48 o
4 -9 1 4470.14 4844.60 250.58 o
5 -9 1 841.29 973.45 114.64 o
-5 -8 1 882.40 871.52 155.91 o
-4 -8 1 4336.03 4497.00 241.98 o
-3 -8 1 1319.26 1557.43 267.27 o
-2 -8 1 91.60 99.88 41.62 o
-1 -8 1 747.82 751.49 70.81 o
0 -8 1 2152.05 2298.90 122.55 o
1 -8 1 684.65 648.69 71.65 o
2 -8 1 2151.94 2183.38 157.48 o
3 -8 1 4734.75 4624.28 337.16 o
4 -8 1 1077.47 1017.50 97.30 o
5 -8 1 196.60 318.89 54.47 o
6 -8 1 1720.36 1813.06 126.24 o
7 -8 1 1751.59 1856.81 165.35 o
-6 -7 1 1895.75 1925.27 160.45 o
-5 -7 1 4167.30 4257.41 286.07 o
-4 -7 1 1142.73 1004.97 109.33 o
-3 -7 1 78.77 55.13 34.81 o
-2 -7 1 981.84 996.78 77.97 o
-1 -7 1 3464.81 3399.56 142.23 o
0 -7 1 344.10 440.04 50.60 o
1 -7 1 3022.41 2923.33 126.89 o
2 -7 1 3857.70 3801.60 142.60 o
3 -7 1 1265.30 1317.70 111.58 o
4 -7 1 256.56 217.24 62.83 o
5 -7 1 5182.71 5172.76 213.18 o
6 -7 1 3313.70 3710.13 173.30 o
7 -7 1 2.08 39.46 29.15 o
8 -7 1 570.36 486.60 117.49 o
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-6 -6 1 5216.00 5261.97 256.93 o
-5 -6 1 310.32 345.48 68.69 o
-4 -6 1 272.38 277.17 56.92 o
-3 -6 1 3201.11 3012.52 167.03 o
-2 -6 1 4179.65 4174.00 207.97 o
-1 -6 1 139.36 129.13 29.58 o
0 -6 1 3063.64 3198.72 99.63 o
1 -6 1 6066.17 6129.24 168.72 o
2 -6 1 1421.12 1318.48 73.41 o
3 -6 1 873.46 857.74 93.94 o
4 -6 1 9589.51 9574.40 256.23 o
5 -6 1 4656.69 4657.59 179.05 o
6 -6 1 0.52 -27.78 27.78 o
7 -6 1 1027.68 1054.42 92.23 o
8 -6 1 1741.00 1878.50 160.50 o
-8 -5 1 2951.20 2595.67 254.20 o
-7 -5 1 3250.45 3261.34 220.41 o
-6 -5 1 481.76 372.68 131.67 o
-5 -5 1 415.67 428.11 71.24 o
-4 -5 1 3821.93 3535.64 191.97 o
-3 -5 1 5583.12 5192.82 155.48 o
-2 -5 1 1.34 16.96 18.68 o
-1 -5 1 1898.99 1855.89 68.12 o
0 -5 1 1852.06 1876.39 69.65 o
1 -5 1 3175.03 2989.34 156.62 o
2 -5 1 1838.10 1836.41 80.57 o
3 -5 1 11437.86 11043.67 200.68 o
4 -5 1 4555.99 4410.95 124.13 o
5 -5 1 86.93 114.77 24.45 o
6 -5 1 2418.45 2258.88 104.68 o
7 -5 1 2338.53 2379.96 128.97 o
8 -5 1 522.66 371.87 69.98 o
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-3 -4 1 40.06 40.04 21.28 o
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-1 -4 1 6745.15 6446.19 128.73 o
0 -4 1 1965.85 1811.87 63.14 o
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3 -4 1 4886.03 4871.99 111.25 o
4 -4 1 7.53 29.55 14.51 o
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0 -3 1 4197.08 3896.99 102.94 o
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3 -3 1 332.94 335.28 22.73 o
4 -3 1 10692.18 10095.04 248.26 o
5 -3 1 9246.09 8992.21 217.95 o
6 -3 1 388.92 320.84 31.18 o
7 -3 1 1712.34 1635.88 78.91 o
8 -3 1 1373.99 1503.85 131.10 o
9 -3 1 616.37 671.74 95.52 o
-9 -2 1 214.36 157.68 79.16 o
-8 -2 1 3033.59 3039.48 179.37 o
-7 -2 1 6243.63 6222.94 166.55 o
-6 -2 1 1510.64 1465.68 72.44 o
-5 -2 1 294.11 324.94 34.60 o
-4 -2 1 2833.41 2868.15 90.99 o
-3 -2 1 7150.84 7240.94 116.21 o
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0 -2 1 5692.06 5473.81 131.15 o
1 -2 1 3807.55 3641.49 86.09 o
2 -2 1 61.18 80.20 11.62 o
3 -2 1 22553.07 22326.36 234.42 o
4 -2 1 17311.17 16603.55 221.76 o
5 -2 1 59.00 58.99 12.39 o
6 -2 1 2678.23 2663.06 129.05 o
7 -2 1 3410.49 3437.41 230.47 o
8 -2 1 1156.27 1077.33 128.09 o
9 -2 1 173.60 146.48 57.48 o
10 -2 1 1496.05 1050.89 186.12 o
-9 -1 1 2531.40 2722.55 214.76 o
-8 -1 1 6548.50 6697.35 218.80 o
-7 -1 1 800.02 812.40 93.21 o
-6 -1 1 553.10 635.20 45.96 o
-5 -1 1 7697.50 8159.62 166.65 o
-4 -1 1 9209.82 9557.01 154.70 o
-3 -1 1 63.79 55.73 8.83 o
-2 -1 1 1650.51 1696.66 40.11 o
-1 -1 1 13805.19 13570.57 152.94 o
0 -1 1 8553.51 8677.62 132.55 o
1 -1 1 1066.95 1094.55 30.26 o
2 -1 1 35165.59 33913.70 311.22 o
3 -1 1 20461.72 20256.68 283.56 o
4 -1 1 117.79 157.14 14.06 o
5 -1 1 2516.23 2436.10 58.28 o
6 -1 1 8206.46 8179.96 145.24 o
7 -1 1 2051.36 2052.66 105.30 o
8 -1 1 841.63 743.68 70.19 o
9 -1 1 1641.87 1504.67 103.88 o
10 -1 1 491.46 402.59 60.63 o
-9 0 1 2665.32 2421.03 218.51 o
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-6 0 1 6318.63 6684.03 150.04 o
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-2 0 1 357.04 455.16 17.89 o
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2 0 1 11072.18 11113.70 115.94 o
3 0 1 19.23 44.05 8.01 o
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6 0 1 1612.58 1584.41 57.70 o
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8 0 1 2353.90 2393.38 122.90 o
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10 0 1 1.09 130.26 52.97 o
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-7 1 1 9161.92 9074.87 230.76 o
-6 1 1 3825.77 3912.30 132.53 o
-5 1 1 167.77 187.74 18.65 o
-4 1 1 2021.55 2020.17 52.47 o
-3 1 1 9393.51 9434.13 126.18 o
-2 1 1 4493.16 4605.32 68.77 o
-1 1 1 3899.87 4094.44 91.03 o
1 1 1 12282.31 12788.17 155.15 o
2 1 1 374.90 476.85 51.42 o
3 1 1 7822.07 7882.82 135.47 o
4 1 1 30472.93 30119.10 375.79 o
5 1 1 2316.54 2292.92 66.60 o
6 1 1 1976.65 1971.26 66.48 o
7 1 1 2442.72 2420.66 115.92 o
8 1 1 1370.89 1335.42 109.05 o
9 1 1 7.11 -22.65 46.23 o
10 1 1 1213.15 1323.78 184.58 o
-9 2 1 1019.58 1169.73 96.69 o
-8 2 1 6591.85 6995.48 281.11 o
-7 2 1 2775.93 2903.27 140.47 o
-6 2 1 176.19 137.37 22.75 o
-5 2 1 2948.43 2860.67 111.63 o
-4 2 1 5919.04 5953.44 125.08 o
-3 2 1 1176.39 1310.75 49.69 o
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-1 2 1 6858.32 7301.53 134.06 o
0 2 1 6780.45 6942.42 110.08 o
1 2 1 25.73 55.31 15.53 o
2 2 1 24370.31 24320.89 265.96 o
3 2 1 20779.08 20507.58 265.63 o
4 2 1 1030.90 1047.06 50.55 o
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6 2 1 4330.71 4462.40 119.04 o
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8 2 1 163.28 189.22 71.94 o
9 2 1 3035.15 3063.13 267.54 o
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