#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:48:23 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181916 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/15/2241579.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_2241579
_cell_angle_alpha                90.000
_cell_angle_beta                 100.151
_cell_angle_gamma                90.000
_cell_length_a                   7.9742
_cell_length_b                   30.2807
_cell_length_c                   9.6427
_exptl_crystal_F_000             1408.00
_reflns_d_resolution_high        0.7975
_cod_data_source_file            bg25803sup4.hkl
_cod_data_source_block           3
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' emel_jc_10_0m_a_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            428.49
_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+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 3238.33 4189.85 308.03 o
4 0 0 7167.85 6699.81 499.29 o
6 0 0 11109.53 11597.59 846.81 o
8 0 0 1341.60 1367.03 117.82 o
1 1 0 5581.13 6921.13 810.43 o
2 1 0 3167.27 3018.29 248.36 o
3 1 0 3576.07 4006.13 218.00 o
4 1 0 25224.90 27575.46 1340.17 o
5 1 0 51779.47 50971.29 2557.08 o
6 1 0 32634.38 32374.17 1961.09 o
7 1 0 14246.14 13546.05 482.36 o
8 1 0 98.99 189.65 47.93 o
9 1 0 907.68 1269.34 86.47 o
1 2 0 133982.88 124366.10 5930.31 o
2 2 0 6279.02 5459.77 278.86 o
3 2 0 63.11 145.22 38.22 o
4 2 0 1806.04 1587.91 144.46 o
5 2 0 12389.18 13032.44 1681.71 o
6 2 0 539.52 2093.10 212.72 o
7 2 0 175.33 403.39 119.45 o
8 2 0 220.53 336.91 62.00 o
9 2 0 1653.62 2152.45 171.74 o
1 3 0 4874.72 5937.93 495.85 o
2 3 0 9.06 8.59 25.37 o
3 3 0 6047.71 6438.73 334.09 o
4 3 0 6789.93 6627.90 362.55 o
5 3 0 49490.66 44890.34 2168.98 o
6 3 0 19091.12 16305.44 816.67 o
7 3 0 527.84 588.94 56.89 o
8 3 0 1301.02 1410.68 88.69 o
9 3 0 2387.90 2905.27 304.00 o
0 4 0 80203.41 84212.15 4005.50 o
1 4 0 18134.32 18497.23 899.77 o
2 4 0 22071.68 24850.54 1200.59 o
3 4 0 2171.12 1990.73 126.78 o
4 4 0 8688.71 8177.24 422.96 o
5 4 0 14245.40 12178.02 878.15 o
6 4 0 83.14 52.16 80.28 o
7 4 0 2874.14 2817.82 165.88 o
8 4 0 193.94 326.08 52.34 o
9 4 0 91.74 176.63 58.91 o
1 5 0 12.86 36.84 66.97 o
2 5 0 35437.30 39803.73 3998.48 o
3 5 0 6132.70 5647.86 411.92 o
4 5 0 14694.40 15196.27 754.67 o
5 5 0 1733.71 1877.30 138.65 o
6 5 0 21238.36 19426.88 963.80 o
7 5 0 6811.61 6250.18 239.97 o
8 5 0 7591.10 7760.53 335.57 o
9 5 0 10.14 65.86 55.67 o
0 6 0 52289.17 54975.14 3950.62 o
1 6 0 46550.83 54365.39 2599.60 o
2 6 0 13.23 245.08 166.14 o
3 6 0 88134.52 88383.01 7322.84 o
4 6 0 30062.91 27076.02 1319.97 o
5 6 0 763.57 736.92 84.14 o
6 6 0 143.23 157.77 92.52 o
7 6 0 212.80 341.54 71.15 o
8 6 0 2467.05 3249.18 398.98 o
9 6 0 935.82 1109.39 181.90 o
1 7 0 25225.82 25786.66 1241.59 o
3 7 0 33759.95 37533.21 1810.45 o
4 7 0 3563.47 3204.16 289.46 o
5 7 0 6021.81 5773.76 317.67 o
6 7 0 4854.43 4566.85 212.59 o
7 7 0 16570.00 14949.30 613.70 o
8 7 0 8009.08 8816.03 379.66 o
9 7 0 7522.74 8589.40 851.10 o
0 8 0 1299.48 868.65 65.99 o
1 8 0 527.03 789.03 60.05 o
2 8 0 118590.86 129428.48 6156.13 o
3 8 0 17846.73 18796.90 1513.64 o
4 8 0 8167.63 7536.30 687.22 o
5 8 0 1273.69 1116.68 103.54 o
6 8 0 1102.93 904.54 79.28 o
7 8 0 6419.78 6212.87 277.15 o
8 8 0 790.07 984.82 235.80 o
9 8 0 104.88 327.10 151.65 o
1 9 0 10963.94 11519.50 680.20 o
2 9 0 73213.81 72915.09 3482.91 o
3 9 0 5500.25 5466.26 294.40 o
4 9 0 4147.94 4658.49 332.07 o
5 9 0 992.82 792.44 187.50 o
6 9 0 2531.20 2451.02 134.57 o
7 9 0 2317.65 2197.25 130.25 o
8 9 0 22747.48 23314.18 939.16 o
9 9 0 59.88 160.43 73.43 o
0 10 0 6820.77 6522.76 411.71 o
1 10 0 5121.53 6502.59 263.89 o
2 10 0 35632.68 36233.91 2643.26 o
3 10 0 69877.25 69184.48 3312.29 o
4 10 0 24466.96 23815.35 1770.90 o
5 10 0 48.26 66.40 46.97 o
6 10 0 1711.76 1630.72 106.91 o
7 10 0 3.77 99.44 50.11 o
8 10 0 794.54 1036.20 101.13 o
9 10 0 2825.41 3213.17 313.89 o
1 11 0 12536.70 13794.36 479.21 o
2 11 0 359.24 315.79 51.45 o
3 11 0 63875.87 61433.80 2944.75 o
4 11 0 6375.83 6115.09 330.98 o
5 11 0 1439.56 1609.69 126.08 o
6 11 0 126.46 122.44 60.14 o
7 11 0 24229.50 23244.07 933.00 o
8 11 0 222.83 390.78 94.64 o
9 11 0 8535.12 8721.32 616.38 o
0 12 0 6420.74 8067.67 923.12 o
1 12 0 7702.05 8697.40 420.75 o
2 12 0 63351.71 63941.24 3062.39 o
3 12 0 55301.63 50434.30 1966.92 o
4 12 0 11866.21 10257.95 545.71 o
5 12 0 94.70 102.25 53.09 o
6 12 0 1094.60 982.39 81.94 o
7 12 0 8.71 56.78 48.52 o
8 12 0 2721.23 2624.98 222.92 o
9 12 0 544.49 811.37 143.38 o
1 13 0 487.86 532.35 39.62 o
2 13 0 20253.37 19761.37 794.36 o
3 13 0 2974.99 2786.64 226.76 o
4 13 0 30772.45 28874.60 1531.35 o
5 13 0 3200.79 2822.30 147.18 o
6 13 0 5480.82 4832.56 224.63 o
7 13 0 242.67 327.79 72.20 o
8 13 0 17914.16 18157.07 1011.70 o
9 13 0 924.81 1400.42 169.95 o
0 14 0 232.60 238.00 43.26 o
1 14 0 24605.52 25715.01 1013.57 o
2 14 0 31779.33 29855.16 1185.52 o
3 14 0 8861.83 8251.30 379.40 o
4 14 0 439.43 490.82 63.30 o
5 14 0 5811.21 5069.10 233.85 o
6 14 0 96.20 90.68 47.11 o
7 14 0 604.29 680.05 94.36 o
8 14 0 84.62 202.26 60.88 o
9 14 0 2883.20 3499.82 321.25 o
1 15 0 2850.49 2905.51 135.64 o
2 15 0 2903.65 2907.16 145.57 o
3 15 0 22726.94 20728.77 1381.43 o
4 15 0 1238.34 1295.62 95.02 o
5 15 0 15430.52 14888.88 841.13 o
6 15 0 491.02 539.61 68.12 o
7 15 0 7058.62 6461.89 564.52 o
8 15 0 5.35 119.29 108.26 o
9 15 0 3911.18 4605.35 571.80 o
0 16 0 40068.45 37902.23 1822.16 o
1 16 0 40671.57 41079.68 1392.75 o
2 16 0 2062.38 2241.73 123.72 o
3 16 0 5661.12 5489.24 295.81 o
4 16 0 8637.80 7863.05 339.30 o
5 16 0 155.58 257.87 56.90 o
6 16 0 35.26 140.40 50.67 o
7 16 0 2028.59 2208.56 145.77 o
8 16 0 2623.22 2754.20 263.99 o
1 17 0 10901.88 9440.31 336.89 o
2 17 0 37.59 54.53 48.42 o
3 17 0 401.56 413.61 58.97 o
4 17 0 43789.77 39296.11 1552.11 o
5 17 0 2857.94 2555.76 143.11 o
6 17 0 15061.54 14345.59 589.44 o
7 17 0 2086.78 2374.88 273.40 o
8 17 0 4178.07 3442.78 417.40 o
0 18 0 110652.43 108370.94 5170.82 o
1 18 0 10123.47 10262.92 364.61 o
2 18 0 11538.72 12591.13 960.58 o
3 18 0 7938.81 6984.07 391.69 o
4 18 0 4.97 113.51 47.02 o
5 18 0 7602.36 6983.57 305.70 o
6 18 0 7762.56 8268.15 548.78 o
7 18 0 2199.99 2530.79 245.84 o
8 18 0 326.73 430.57 87.17 o
1 19 0 1592.25 1900.40 108.97 o
2 19 0 12272.61 13305.32 674.36 o
3 19 0 7463.58 7754.03 353.77 o
4 19 0 10842.92 9870.22 419.45 o
5 19 0 30385.21 29467.95 1176.81 o
6 19 0 935.82 1042.34 115.60 o
7 19 0 7057.99 7233.08 382.71 o
8 19 0 18.83 299.18 84.23 o
0 20 0 17970.44 16912.02 830.25 o
1 20 0 49168.73 45506.48 1789.15 o
2 20 0 320.00 388.22 75.71 o
3 20 0 1893.83 1795.18 122.08 o
4 20 0 10249.18 10529.54 445.04 o
5 20 0 2545.33 2538.06 280.29 o
6 20 0 100.39 175.18 60.12 o
7 20 0 15.04 95.81 93.92 o
8 20 0 77.22 252.44 89.40 o
1 21 0 9842.96 10426.19 466.19 o
2 21 0 3078.89 3518.10 389.60 o
3 21 0 2391.39 1974.46 124.49 o
4 21 0 5753.47 6039.30 274.33 o
5 21 0 9665.09 9663.67 413.93 o
6 21 0 21878.72 23196.86 1181.53 o
7 21 0 271.26 319.46 120.71 o
8 21 0 1034.90 1020.77 230.54 o
0 22 0 75562.82 72149.17 4890.91 o
1 22 0 986.69 1027.43 79.72 o
2 22 0 9043.17 8915.20 465.89 o
3 22 0 3489.35 3601.53 221.07 o
4 22 0 6868.33 7028.17 312.26 o
5 22 0 68.30 150.35 86.74 o
6 22 0 260.77 455.45 84.40 o
7 22 0 321.35 542.32 90.89 o
8 22 0 64.06 193.18 209.40 o
1 23 0 6190.32 6430.95 280.01 o
2 23 0 1276.46 1461.95 103.76 o
3 23 0 679.06 555.69 92.49 o
4 23 0 6397.70 6451.73 288.98 o
5 23 0 20382.09 19764.73 802.45 o
6 23 0 2980.17 3140.82 172.93 o
7 23 0 10458.69 11912.70 610.43 o
0 24 0 6020.07 6467.34 488.77 o
1 24 0 33733.64 31268.50 1240.59 o
2 24 0 5165.15 5326.31 546.24 o
3 24 0 9364.32 9668.64 504.23 o
4 24 0 1.68 22.55 55.45 o
5 24 0 3605.88 3593.59 248.71 o
6 24 0 15.26 288.67 84.90 o
7 24 0 643.30 899.07 169.36 o
1 25 0 9182.53 9037.65 468.56 o
2 25 0 6816.56 7200.43 319.72 o
3 25 0 402.08 570.21 113.34 o
4 25 0 1995.33 1906.92 123.90 o
5 25 0 490.49 453.83 73.69 o
6 25 0 19015.79 19837.39 983.10 o
7 25 0 1633.80 1885.75 305.35 o
0 26 0 11516.51 12018.53 865.49 o
1 26 0 4786.64 4317.17 253.46 o
2 26 0 7793.70 7737.37 337.00 o
3 26 0 20.82 55.53 64.87 o
4 26 0 7624.85 7750.01 608.01 o
5 26 0 4.84 50.07 68.98 o
6 26 0 693.96 919.40 106.85 o
7 26 0 1942.36 2390.53 342.70 o
1 27 0 108.23 248.03 68.57 o
2 27 0 13776.60 12945.60 716.52 o
3 27 0 906.78 931.91 89.12 o
4 27 0 6.84 172.99 68.66 o
5 27 0 4575.75 4576.63 368.88 o
6 27 0 1855.50 1983.31 158.95 o
0 28 0 1037.11 1151.19 166.14 o
1 28 0 11124.06 10679.26 552.87 o
2 28 0 424.10 472.49 86.92 o
3 28 0 17011.42 17696.58 722.67 o
4 28 0 6130.06 6497.71 364.12 o
5 28 0 390.09 427.51 119.46 o
6 28 0 2175.08 2346.19 180.07 o
1 29 0 10828.29 10139.00 529.80 o
2 29 0 46.56 332.58 112.26 o
3 29 0 3827.64 4022.92 253.78 o
4 29 0 8078.35 8649.39 459.45 o
5 29 0 1794.96 1866.51 234.19 o
6 29 0 2549.41 2775.96 195.77 o
0 30 0 8525.19 7482.87 571.63 o
1 30 0 1044.38 1036.78 111.62 o
2 30 0 20090.09 20140.00 1898.73 o
3 30 0 2463.12 2713.52 196.56 o
4 30 0 6416.63 5681.71 325.10 o
5 30 0 140.52 178.07 78.16 o
6 30 0 90.80 286.98 114.20 o
1 31 0 2716.50 2563.36 183.88 o
2 31 0 7413.31 7450.11 404.96 o
3 31 0 6005.78 6111.13 371.35 o
4 31 0 2394.79 2263.66 183.65 o
5 31 0 4331.78 4155.42 257.91 o
0 32 0 15.33 -25.54 92.95 o
1 32 0 9584.04 8061.40 433.04 o
2 32 0 50.80 -25.61 75.42 o
3 32 0 6971.52 7385.73 479.97 o
4 32 0 261.50 362.38 98.51 o
5 32 0 582.43 565.40 150.04 o
1 33 0 141.68 244.35 128.04 o
2 33 0 279.47 314.86 84.24 o
3 33 0 4676.06 5065.11 304.15 o
4 33 0 4908.50 4940.51 302.86 o
0 34 0 4898.13 5136.26 423.30 o
1 34 0 2687.58 2534.30 212.94 o
2 34 0 7951.82 7381.92 408.15 o
3 34 0 77.74 157.44 83.46 o
4 34 0 2267.60 2581.70 203.30 o
1 35 0 397.53 538.71 94.57 o
2 35 0 200.43 131.78 89.92 o
3 35 0 2486.92 2595.68 201.15 o
0 36 0 4840.19 4659.94 400.55 o
1 36 0 6860.54 6115.93 348.39 o
2 36 0 481.57 559.51 100.97 o
3 36 0 5489.31 5933.10 393.14 o
1 37 0 351.04 415.10 99.19 o
2 37 0 3818.97 4099.23 422.98 o
-9 0 1 2437.59 2808.14 183.74 o
-7 0 1 34008.84 30986.75 1511.37 o
-5 0 1 43840.94 41765.78 4635.69 o
-3 0 1 4661.85 4884.72 790.25 o
-1 0 1 121.81 -25.33 25.33 o
1 0 1 17678.43 23004.75 1101.87 o
3 0 1 32878.85 36185.46 2468.75 o
5 0 1 130241.02 113616.66 7680.35 o
7 0 1 113.45 179.02 93.16 o
9 0 1 4310.02 5861.32 568.08 o
-9 1 1 734.99 903.56 70.80 o
-8 1 1 27.16 131.26 44.63 o
-7 1 1 1714.78 1571.07 90.52 o
-6 1 1 7390.56 7060.87 267.16 o
-5 1 1 20021.55 18349.28 769.67 o
-4 1 1 758.78 803.15 70.65 o
-3 1 1 1949.85 1419.78 103.76 o
-2 1 1 73213.09 86521.77 2920.19 o
-1 1 1 147169.62 147081.47 4944.16 o
0 1 1 99743.23 105338.01 4097.12 o
1 1 1 15713.54 20638.49 807.12 o
2 1 1 1132.58 1314.62 84.75 o
3 1 1 1544.39 2203.28 340.55 o
4 1 1 2872.52 3069.18 435.75 o
5 1 1 1604.89 1412.59 159.60 o
6 1 1 941.69 863.38 101.62 o
7 1 1 56.91 72.81 60.22 o
8 1 1 679.19 716.17 102.41 o
9 1 1 6261.25 8230.45 488.26 o
-9 2 1 52.52 159.44 57.91 o
-8 2 1 6559.65 6805.19 321.32 o
-7 2 1 1419.59 1477.21 88.19 o
-6 2 1 47672.08 44308.25 1516.08 o
-5 2 1 61.90 325.09 107.26 o
-4 2 1 3127.30 2405.63 172.95 o
-3 2 1 3182.95 2805.56 146.15 o
-2 2 1 35.59 2.62 44.76 o
-1 2 1 1058.25 836.31 49.55 o
0 2 1 14206.55 15737.83 758.46 o
1 2 1 928.48 1089.33 56.78 o
2 2 1 2665.69 2567.75 145.36 o
3 2 1 1412.15 1646.98 111.41 o
4 2 1 109143.80 119588.49 16774.64 o
5 2 1 4259.05 3707.03 219.63 o
6 2 1 24699.56 23162.33 1141.25 o
7 2 1 862.88 816.73 103.00 o
8 2 1 581.94 729.73 99.84 o
9 2 1 554.67 764.31 75.11 o
-9 3 1 442.20 663.85 72.05 o
-8 3 1 2846.35 3268.37 155.53 o
-7 3 1 837.83 949.72 83.29 o
-6 3 1 14373.12 14082.00 500.70 o
-5 3 1 0.59 31.29 36.81 o
-4 3 1 128.02 134.62 80.86 o
-3 3 1 17800.95 19114.75 1315.78 o
-2 3 1 36635.44 42175.94 1908.97 o
-1 3 1 56101.95 60597.89 2814.29 o
0 3 1 62821.39 68693.42 2310.84 o
1 3 1 10272.32 11989.55 477.87 o
2 3 1 289.56 454.70 49.00 o
3 3 1 2673.45 3231.21 183.58 o
4 3 1 2740.44 3054.02 181.29 o
5 3 1 544.21 611.30 79.98 o
6 3 1 874.61 982.65 104.29 o
7 3 1 525.43 431.90 83.61 o
8 3 1 1521.31 1518.57 137.78 o
9 3 1 2649.96 2782.83 441.33 o
-9 4 1 3163.13 3633.79 185.05 o
-8 4 1 5.73 209.63 44.63 o
-7 4 1 25005.97 24707.39 857.34 o
-6 4 1 477.40 509.77 57.39 o
-5 4 1 15161.40 13469.99 530.53 o
-4 4 1 11164.51 11480.70 478.47 o
-3 4 1 482.88 551.41 77.23 o
-2 4 1 23206.28 24647.32 850.34 o
-1 4 1 1051.02 1201.58 73.01 o
0 4 1 16742.85 17371.12 588.47 o
1 4 1 5413.34 6679.60 269.83 o
2 4 1 17461.97 16066.96 782.77 o
3 4 1 28599.77 32581.59 2493.54 o
4 4 1 8972.61 9081.07 466.22 o
5 4 1 47667.42 47452.09 4358.46 o
6 4 1 14.94 -8.41 58.97 o
7 4 1 7450.30 6917.19 380.94 o
8 4 1 1308.33 1366.22 131.21 o
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-9 5 1 1492.90 1821.36 169.95 o
-8 5 1 5518.18 5610.21 256.97 o
-7 5 1 5.32 125.09 49.25 o
-6 5 1 4782.65 3895.92 164.26 o
-5 5 1 24430.51 20683.62 722.44 o
-4 5 1 2031.69 1723.52 123.94 o
-3 5 1 22041.99 23392.20 997.68 o
-2 5 1 75617.95 77544.37 3019.70 o
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1 5 1 41291.38 45295.74 1765.27 o
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4 5 1 19.64 -39.27 39.27 o
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-9 7 1 183.16 337.25 60.75 o
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-1 7 1 188.75 425.00 40.23 o
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1 7 1 26713.26 28217.30 1104.59 o
2 7 1 79418.47 84244.47 5194.11 o
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-7 8 1 10752.33 9624.47 406.63 o
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-4 8 1 159.85 113.49 64.72 o
-3 8 1 6068.47 6097.00 340.50 o
-2 8 1 17436.49 18138.06 627.48 o
-1 8 1 7101.54 6614.31 515.24 o
0 8 1 34781.16 42093.85 1417.01 o
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6 8 1 378.93 499.23 116.02 o
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