#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:54:21 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181895 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/95/2239526.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_2239526
_cell_angle_alpha                64.545
_cell_angle_beta                 70.710
_cell_angle_gamma                69.638
_cell_length_a                   7.3473
_cell_length_b                   9.1917
_cell_length_c                   9.7504
_exptl_crystal_F_000             507.00
_reflns_d_resolution_high        0.7836
_cod_data_source_file            br2238Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    naj13 in P -1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            232.39
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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 7619.51 8162.70 92.76 o
2 0 0 8793.17 8775.81 73.59 o
3 0 0 1443.75 1372.25 37.38 o
4 0 0 4.29 21.55 12.34 o
5 0 0 124.05 123.49 9.17 o
6 0 0 4469.95 4533.14 100.50 o
7 0 0 570.48 564.76 36.64 o
8 0 0 1411.94 1482.18 75.13 o
-8 1 0 4.86 16.94 29.77 o
-7 1 0 3127.19 3088.07 101.05 o
-6 1 0 477.01 465.11 32.34 o
-5 1 0 896.41 948.59 46.11 o
-4 1 0 6138.84 5758.19 95.44 o
-3 1 0 8872.25 8956.56 103.20 o
-2 1 0 865.15 850.05 27.40 o
-1 1 0 909.04 955.15 16.52 o
0 1 0 9073.34 9252.63 86.71 o
1 1 0 2207.90 2207.71 25.61 o
2 1 0 15767.30 16185.60 94.36 o
3 1 0 1097.43 946.39 29.28 o
4 1 0 16732.77 16399.79 142.07 o
5 1 0 736.87 703.47 37.19 o
6 1 0 302.26 277.36 22.90 o
7 1 0 62.05 59.68 22.75 o
8 1 0 401.18 418.82 34.44 o
-8 2 0 10.91 44.34 25.61 o
-7 2 0 4379.19 4332.22 122.52 o
-6 2 0 54.42 57.67 22.84 o
-5 2 0 1799.52 1674.36 63.42 o
-4 2 0 162.64 143.18 11.36 o
-3 2 0 377.84 339.03 21.65 o
-2 2 0 1067.18 902.79 32.51 o
-1 2 0 522.17 549.08 16.66 o
0 2 0 56.55 54.40 3.02 o
1 2 0 3708.20 3534.14 42.34 o
2 2 0 4603.58 4441.13 52.07 o
3 2 0 696.42 760.54 26.87 o
4 2 0 2880.82 2726.63 57.20 o
5 2 0 6226.05 5807.35 94.16 o
6 2 0 1.36 -16.85 16.85 o
7 2 0 117.08 77.66 26.65 o
8 2 0 286.78 307.42 24.55 o
-7 3 0 1503.62 1584.83 83.42 o
-6 3 0 890.10 833.93 56.52 o
-5 3 0 586.41 541.73 42.90 o
-4 3 0 19.01 43.27 19.22 o
-3 3 0 1387.03 1403.96 51.45 o
-2 3 0 313.44 332.51 25.23 o
-1 3 0 85.42 165.96 9.67 o
0 3 0 407.62 428.96 15.87 o
1 3 0 658.92 632.79 23.39 o
2 3 0 10193.45 9823.44 89.19 o
3 3 0 1977.58 2050.29 44.78 o
4 3 0 7815.07 7880.03 99.01 o
5 3 0 24.51 7.15 13.95 o
6 3 0 8085.44 7888.39 124.45 o
7 3 0 38.71 24.81 21.32 o
8 3 0 420.05 479.65 36.31 o
-7 4 0 1464.10 1432.52 84.71 o
-6 4 0 1093.84 1192.51 71.70 o
-5 4 0 11695.72 11034.70 184.83 o
-4 4 0 3911.97 3563.15 98.14 o
-3 4 0 3666.81 3366.00 87.84 o
-2 4 0 3220.24 3000.24 75.88 o
-1 4 0 1267.16 1194.19 31.92 o
0 4 0 602.14 626.09 28.92 o
1 4 0 771.65 707.53 30.05 o
2 4 0 2804.81 2925.60 56.48 o
3 4 0 8090.17 8260.87 98.79 o
4 4 0 6941.37 6949.14 98.42 o
5 4 0 2827.05 2749.64 66.73 o
6 4 0 17167.79 16549.80 183.94 o
7 4 0 1000.33 953.51 52.86 o
8 4 0 2655.07 2689.30 93.17 o
-6 5 0 415.77 430.58 31.62 o
-5 5 0 5321.57 4996.15 135.91 o
-4 5 0 55.67 31.92 30.04 o
-3 5 0 3315.86 3261.12 96.00 o
-2 5 0 1710.00 1596.99 64.55 o
-1 5 0 18933.99 19374.63 638.88 o
0 5 0 2844.80 2740.04 77.86 o
1 5 0 333.84 281.72 19.19 o
2 5 0 5163.74 5215.21 86.57 o
3 5 0 9804.27 9786.92 120.41 o
4 5 0 855.35 941.82 41.27 o
5 5 0 3486.23 3500.45 80.97 o
6 5 0 169.87 205.72 13.73 o
7 5 0 370.51 398.24 27.01 o
8 5 0 2999.23 2807.15 97.19 o
-5 6 0 2.20 -11.80 32.72 o
-4 6 0 4351.83 4211.47 126.73 o
-3 6 0 616.93 661.90 52.12 o
-2 6 0 52.35 50.74 23.74 o
-1 6 0 4492.34 4767.59 76.48 o
0 6 0 73.72 89.17 5.80 o
1 6 0 114.75 115.22 11.31 o
2 6 0 2484.59 2348.88 66.62 o
3 6 0 1592.36 1642.16 56.51 o
4 6 0 1403.60 1431.83 55.64 o
5 6 0 1028.89 1125.45 52.82 o
6 6 0 26.85 13.37 18.91 o
7 6 0 414.63 413.73 29.83 o
8 6 0 1274.46 1382.11 73.10 o
-5 7 0 84.35 113.95 38.89 o
-4 7 0 250.09 251.11 22.54 o
-3 7 0 3261.91 3230.74 116.19 o
-2 7 0 65.31 70.63 12.38 o
-1 7 0 1905.11 2016.18 55.46 o
0 7 0 463.97 486.35 23.37 o
1 7 0 1087.36 1010.42 52.43 o
2 7 0 281.11 283.84 24.69 o
3 7 0 258.69 286.64 24.73 o
4 7 0 179.00 190.70 13.06 o
5 7 0 1617.59 1725.82 67.91 o
6 7 0 401.06 392.67 27.82 o
7 7 0 532.79 540.63 38.65 o
-4 8 0 700.79 747.47 59.23 o
-3 8 0 38.26 32.68 36.57 o
-2 8 0 429.70 425.42 33.45 o
-1 8 0 1082.49 1157.89 68.51 o
0 8 0 330.29 343.76 28.42 o
1 8 0 12164.00 11294.40 181.81 o
2 8 0 1871.76 1845.39 75.15 o
3 8 0 922.50 918.29 54.78 o
4 8 0 144.78 148.21 11.80 o
5 8 0 9.86 53.02 21.86 o
6 8 0 102.26 120.35 13.41 o
7 8 0 2411.61 2571.45 101.65 o
-2 9 0 6957.65 7330.34 187.15 o
-1 9 0 362.33 347.84 18.20 o
0 9 0 849.60 889.44 44.25 o
1 9 0 1077.29 945.45 65.75 o
2 9 0 143.61 135.11 14.49 o
3 9 0 3935.17 3485.30 112.91 o
4 9 0 1803.09 1842.66 82.42 o
5 9 0 5873.10 5771.86 145.25 o
6 9 0 1709.77 1647.64 84.19 o
0 10 0 1222.70 1279.76 62.66 o
1 10 0 161.05 132.88 16.63 o
2 10 0 2854.12 2831.78 111.21 o
3 10 0 242.64 262.87 17.71 o
4 10 0 17.37 22.57 26.06 o
-3 -10 1 757.64 653.97 53.10 o
-2 -10 1 3223.70 2879.26 118.06 o
-1 -10 1 1425.17 1225.88 83.09 o
-5 -9 1 10.17 3.49 31.92 o
-4 -9 1 1704.97 1529.15 84.69 o
-3 -9 1 94.99 102.42 12.96 o
-2 -9 1 834.51 774.84 58.97 o
-1 -9 1 205.02 197.05 17.08 o
0 -9 1 66.74 74.95 40.59 o
1 -9 1 200.55 205.01 12.44 o
2 -9 1 2170.96 2340.01 111.97 o
-6 -8 1 1545.39 1595.68 81.36 o
-5 -8 1 675.47 758.50 53.28 o
-4 -8 1 19.18 2.95 26.82 o
-3 -8 1 6080.60 5818.65 139.35 o
-2 -8 1 151.48 147.19 12.74 o
-1 -8 1 683.45 602.83 40.62 o
0 -8 1 481.90 509.91 27.15 o
1 -8 1 559.59 593.03 30.00 o
2 -8 1 2623.59 2849.01 112.00 o
3 -8 1 1347.25 1466.77 87.79 o
-7 -7 1 30.93 31.16 32.95 o
-6 -7 1 1901.90 1934.90 77.50 o
-5 -7 1 101.94 91.29 10.77 o
-4 -7 1 4316.68 4440.49 109.42 o
-3 -7 1 162.85 176.52 13.01 o
-2 -7 1 9210.83 8902.86 151.64 o
-1 -7 1 21.47 26.96 19.80 o
0 -7 1 1729.19 1815.17 51.03 o
1 -7 1 6298.20 6669.13 101.23 o
2 -7 1 6569.85 6678.18 155.91 o
3 -7 1 383.73 412.92 29.92 o
4 -7 1 2183.70 2206.21 104.01 o
-7 -6 1 2468.62 2503.44 91.13 o
-6 -6 1 3296.48 3221.24 95.73 o
-5 -6 1 7239.93 7150.43 130.78 o
-4 -6 1 1338.78 1336.75 55.45 o
-3 -6 1 248.67 256.68 21.82 o
-2 -6 1 7268.39 7030.12 122.13 o
-1 -6 1 295.15 277.33 24.02 o
0 -6 1 7395.70 7240.82 119.03 o
1 -6 1 428.86 426.26 21.86 o
2 -6 1 62.32 47.43 24.45 o
3 -6 1 470.29 530.35 39.63 o
4 -6 1 6385.08 6071.55 153.88 o
5 -6 1 2699.73 2578.02 108.73 o
-8 -5 1 19.53 43.63 28.88 o
-7 -5 1 300.02 254.22 24.95 o
-6 -5 1 1161.41 1199.91 56.45 o
-5 -5 1 2301.79 2286.59 71.17 o
-4 -5 1 634.63 684.16 38.12 o
-3 -5 1 8571.45 8532.16 119.28 o
-2 -5 1 1528.17 1546.06 52.04 o
-1 -5 1 9454.17 8806.82 125.56 o
0 -5 1 2869.22 2900.62 52.96 o
1 -5 1 1.34 -19.56 21.52 o
2 -5 1 383.97 409.54 29.52 o
3 -5 1 1806.17 1771.65 71.71 o
4 -5 1 519.58 479.17 37.98 o
5 -5 1 70.22 79.26 13.41 o
6 -5 1 419.11 429.64 33.50 o
-8 -4 1 453.50 482.48 37.43 o
-7 -4 1 240.20 214.85 17.80 o
-6 -4 1 37.02 40.55 19.45 o
-5 -4 1 996.94 963.01 41.77 o
-4 -4 1 147.07 151.35 9.03 o
-3 -4 1 2946.15 2964.54 64.51 o
-2 -4 1 262.82 300.07 20.75 o
-1 -4 1 221.90 188.73 15.92 o
0 -4 1 6002.64 6246.65 68.76 o
1 -4 1 6459.57 6437.33 174.79 o
2 -4 1 26.40 43.45 18.42 o
3 -4 1 5044.87 4662.96 104.74 o
4 -4 1 307.78 293.64 24.06 o
5 -4 1 277.63 290.57 25.31 o
6 -4 1 3062.83 3054.95 107.71 o
7 -4 1 584.58 590.61 48.98 o
-8 -3 1 124.86 113.87 12.74 o
-7 -3 1 1160.02 1162.82 57.57 o
-6 -3 1 27.13 29.19 18.15 o
-5 -3 1 652.33 637.20 34.99 o
-4 -3 1 9003.24 8926.96 110.86 o
-3 -3 1 11765.52 12318.77 118.15 o
-2 -3 1 560.97 489.51 23.90 o
-1 -3 1 1183.76 1415.87 37.76 o
0 -3 1 1395.76 1370.33 53.59 o
1 -3 1 3719.44 3765.27 80.81 o
2 -3 1 8189.98 7666.48 110.72 o
3 -3 1 1887.09 1699.36 59.12 o
4 -3 1 8594.55 7616.18 133.00 o
5 -3 1 288.10 250.61 14.94 o
6 -3 1 611.60 717.73 51.98 o
7 -3 1 1075.29 1100.00 69.51 o
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-2 -2 1 1274.53 1516.81 33.79 o
-1 -2 1 38139.19 36296.61 164.25 o
0 -2 1 14631.02 15153.35 277.40 o
1 -2 1 36857.69 37328.87 139.39 o
2 -2 1 2555.63 2660.79 56.49 o
3 -2 1 703.74 762.24 35.50 o
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6 -2 1 3979.61 3890.14 104.25 o
7 -2 1 1548.59 1594.45 75.24 o
8 -2 1 249.21 239.35 18.02 o
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-2 -1 1 727.31 807.68 23.84 o
-1 -1 1 3741.76 3865.30 41.43 o
0 -1 1 281.48 355.27 10.81 o
1 -1 1 5939.52 6042.38 43.62 o
2 -1 1 484.14 507.61 23.69 o
3 -1 1 17632.75 16444.55 142.77 o
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6 -1 1 1094.40 1142.74 53.37 o
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-4 0 1 849.74 855.14 36.36 o
-3 0 1 1025.66 980.79 32.94 o
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-1 0 1 3.46 12.61 2.24 o
0 0 1 4037.15 4319.91 92.81 o
1 0 1 181.86 213.32 7.55 o
2 0 1 106.38 140.47 10.20 o
3 0 1 5584.97 5163.99 71.32 o
4 0 1 1379.86 1242.67 42.73 o
5 0 1 75.71 70.91 7.20 o
6 0 1 2905.93 2765.50 77.53 o
7 0 1 1044.90 1007.65 57.70 o
8 0 1 0.90 3.08 28.56 o
-8 1 1 2641.59 2696.27 106.38 o
-7 1 1 14.62 0.00 25.12 o
-6 1 1 514.46 555.80 35.11 o
-5 1 1 2708.98 2597.13 73.53 o
-4 1 1 3589.44 3583.32 76.01 o
-3 1 1 23.14 13.72 11.22 o
-2 1 1 362.45 400.24 20.77 o
-1 1 1 6637.50 7019.61 113.73 o
0 1 1 22.98 17.41 3.33 o
1 1 1 12060.20 11997.03 58.73 o
2 1 1 10806.17 10077.06 72.60 o
3 1 1 3064.30 2929.93 49.30 o
4 1 1 369.57 395.35 23.67 o
5 1 1 5431.74 4992.97 87.69 o
6 1 1 41.53 37.10 17.84 o
7 1 1 846.18 832.05 49.63 o
8 1 1 1752.81 1906.04 80.00 o
-7 2 1 27.19 74.74 28.52 o
-6 2 1 3024.36 3011.18 94.91 o
-5 2 1 4648.73 4419.67 100.55 o
-4 2 1 27162.65 26709.42 226.76 o
-3 2 1 27.40 40.37 13.55 o
-2 2 1 102.27 88.67 6.26 o
-1 2 1 16073.98 17109.94 85.20 o
0 2 1 851.21 794.28 31.18 o
1 2 1 3766.50 3700.30 39.57 o
2 2 1 4940.00 4592.47 50.18 o
3 2 1 2608.66 2888.33 48.28 o
4 2 1 100.37 120.05 9.39 o
5 2 1 17311.48 16646.92 156.01 o
6 2 1 3833.62 3596.93 82.95 o
7 2 1 9163.61 9059.10 148.74 o
8 2 1 95.11 92.68 11.94 o
9 2 1 1117.92 1277.30 69.24 o
-7 3 1 1199.12 1053.32 73.18 o
-6 3 1 315.06 326.04 24.77 o
-5 3 1 137.17 140.66 13.06 o
-4 3 1 7981.23 7872.63 131.47 o
-3 3 1 1597.72 1690.43 56.36 o
-2 3 1 26277.64 26867.95 201.21 o
-1 3 1 1122.27 1052.77 25.52 o
0 3 1 20365.53 20180.66 375.20 o
1 3 1 5149.55 4742.34 57.79 o
2 3 1 9332.21 9399.89 81.48 o
3 3 1 4703.39 4604.68 63.49 o
4 3 1 2548.49 2609.16 55.32 o
5 3 1 129.39 145.27 12.03 o
6 3 1 3043.30 2983.11 76.29 o
7 3 1 1085.36 1213.04 55.96 o
8 3 1 551.27 566.87 44.86 o
9 3 1 6051.49 6003.59 151.03 o
-7 4 1 60.99 23.11 34.06 o
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-3 4 1 1791.28 1791.32 65.01 o
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-1 4 1 1007.00 1140.75 30.10 o
0 4 1 4098.75 4101.17 58.28 o
1 4 1 1501.17 1468.48 39.59 o
2 4 1 1263.41 1185.75 33.50 o
3 4 1 1646.15 1639.81 42.67 o
4 4 1 1986.30 1890.51 49.50 o
5 4 1 32.81 31.16 16.18 o
6 4 1 2880.44 2855.59 74.34 o
7 4 1 609.99 605.60 44.47 o
8 4 1 3.25 10.77 21.55 o
9 4 1 1019.52 981.50 69.05 o
-6 5 1 5.82 48.19 24.32 o
-5 5 1 181.84 186.09 15.20 o
-4 5 1 690.89 659.38 50.29 o
-3 5 1 64.94 83.51 10.19 o
-2 5 1 4650.46 4347.05 99.89 o
-1 5 1 1114.98 1141.87 34.18 o
0 5 1 470.98 452.49 22.29 o
1 5 1 372.98 345.42 24.34 o
2 5 1 6139.08 6201.16 88.85 o
3 5 1 182.32 215.23 16.81 o
4 5 1 536.97 552.81 31.23 o
5 5 1 2783.14 2796.24 69.46 o
6 5 1 199.59 212.93 16.14 o
7 5 1 2452.38 2590.86 81.79 o
8 5 1 509.42 548.89 38.64 o
-5 6 1 327.04 324.03 28.66 o
-4 6 1 10.58 6.75 29.10 o
-3 6 1 19.95 26.55 22.26 o
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0 6 1 13682.63 14256.93 416.08 o
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3 6 1 32.72 41.75 17.57 o
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5 6 1 1445.72 1479.83 54.47 o
6 6 1 266.46 295.71 24.01 o
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-5 7 1 3337.85 3292.84 133.82 o
-4 7 1 396.97 381.07 30.01 o
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0 10 1 738.91 778.42 39.65 o
1 10 1 159.72 150.27 16.23 o
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3 10 1 600.22 600.62 47.77 o
4 10 1 11.10 -13.99 29.99 o
5 10 1 261.78 261.76 17.53 o
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-2 -9 2 19.85 42.47 13.37 o
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1 -9 2 1866.82 2010.44 71.56 o
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0 -8 2 10.70 53.62 16.71 o
1 -8 2 2523.89 2747.22 74.02 o
2 -8 2 63.95 99.20 35.27 o
3 -8 2 154.06 181.70 19.45 o
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4 -7 2 789.06 755.88 57.13 o
-7 -6 2 1189.98 1107.61 67.23 o
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