#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:48:23 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181916 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/15/2241580.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_2241580
_cell_angle_alpha                90.000
_cell_angle_beta                 100.720
_cell_angle_gamma                90.000
_cell_length_a                   8.1170
_cell_length_b                   29.2717
_cell_length_c                   9.5102
_exptl_crystal_F_000             1432.00
_reflns_d_resolution_high        0.7979
_cod_data_source_file            bg25804sup5.hkl
_cod_data_source_block           4
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' EMEL_JC_08_0m_a_a_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            505.16
_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 6171.00 7230.42 129.15 o
4 0 0 544.23 605.34 31.42 o
6 0 0 1844.58 2284.70 109.41 o
8 0 0 511.05 583.96 99.67 o
1 1 0 1733.62 2070.61 29.27 o
2 1 0 3613.85 2666.55 34.91 o
3 1 0 1829.12 2319.11 35.96 o
4 1 0 37464.54 37361.78 455.53 o
5 1 0 65026.38 62420.59 757.63 o
6 1 0 53459.15 51492.86 673.13 o
7 1 0 8747.82 8608.06 155.37 o
8 1 0 215.68 126.13 45.91 o
9 1 0 51.20 88.05 101.07 o
1 2 0 126610.04 133414.91 1866.48 o
2 2 0 4541.70 4373.24 57.54 o
3 2 0 3465.13 2929.13 42.77 o
4 2 0 435.20 460.14 26.07 o
5 2 0 40.86 350.80 38.97 o
6 2 0 2009.57 2138.00 48.81 o
7 2 0 2419.98 2313.09 70.29 o
8 2 0 645.38 761.67 74.58 o
9 2 0 8089.71 7854.44 275.30 o
1 3 0 138.28 240.36 24.90 o
2 3 0 4868.51 4499.62 59.58 o
3 3 0 426.75 766.92 27.41 o
4 3 0 19450.70 19215.50 277.45 o
5 3 0 90193.51 86623.47 1120.40 o
6 3 0 19689.28 19254.56 283.40 o
7 3 0 163.86 204.69 38.02 o
8 3 0 470.84 505.68 56.27 o
9 3 0 180.25 307.01 90.23 o
0 4 0 58945.53 60886.77 3461.95 o
1 4 0 24697.42 25741.39 444.24 o
2 4 0 18641.36 20362.59 266.35 o
3 4 0 250.59 213.76 13.60 o
4 4 0 3209.04 3415.96 56.34 o
5 4 0 1342.17 1387.57 36.26 o
6 4 0 5109.69 5159.11 91.38 o
7 4 0 1238.29 1141.59 49.89 o
8 4 0 7349.06 7154.87 224.93 o
9 4 0 11.75 -24.06 72.36 o
1 5 0 26.00 -0.27 12.20 o
2 5 0 31982.07 34290.98 481.46 o
3 5 0 27396.55 26263.55 321.97 o
4 5 0 27242.30 27694.25 365.18 o
5 5 0 1095.29 1253.02 38.02 o
6 5 0 17905.92 17440.49 258.72 o
7 5 0 8496.06 8126.73 149.84 o
8 5 0 5066.82 5191.99 160.49 o
9 5 0 119.52 180.75 75.70 o
0 6 0 62608.69 59743.36 2087.56 o
1 6 0 48370.31 54549.02 935.24 o
2 6 0 163.36 157.66 10.80 o
3 6 0 72060.06 75665.46 914.01 o
4 6 0 22960.63 22208.09 295.88 o
5 6 0 172.48 194.03 19.42 o
6 6 0 5519.80 5227.29 92.65 o
7 6 0 9347.73 9518.50 170.71 o
8 6 0 1886.49 2025.81 106.81 o
9 6 0 9161.09 9118.46 237.57 o
1 7 0 36295.15 36608.95 667.36 o
2 7 0 60.35 132.41 12.51 o
3 7 0 92640.46 93497.52 1304.10 o
4 7 0 3046.97 2895.91 51.29 o
5 7 0 4815.98 4949.06 85.07 o
6 7 0 4742.45 4607.89 84.73 o
7 7 0 8627.44 8730.44 159.33 o
8 7 0 7039.14 7449.40 203.11 o
9 7 0 9022.45 9166.53 209.23 o
0 8 0 481.49 306.37 43.28 o
1 8 0 1491.66 1236.66 31.02 o
2 8 0 84188.61 87613.07 1606.09 o
3 8 0 8938.94 8322.27 126.86 o
4 8 0 9596.20 9800.83 151.35 o
5 8 0 467.15 416.76 23.93 o
6 8 0 2343.21 2143.92 49.34 o
7 8 0 17585.97 16926.04 319.70 o
8 8 0 31134.38 32229.24 888.26 o
9 8 0 2052.00 1978.34 93.55 o
1 9 0 15528.72 15117.75 240.68 o
2 9 0 114897.10 113687.42 1741.42 o
3 9 0 28793.00 28884.54 419.09 o
4 9 0 19613.16 19691.02 315.18 o
5 9 0 1185.56 1286.29 44.70 o
6 9 0 321.58 523.66 36.89 o
7 9 0 7256.91 7626.02 168.84 o
8 9 0 18129.91 19130.61 425.71 o
9 9 0 438.30 829.43 83.24 o
0 10 0 7146.55 5954.52 182.29 o
1 10 0 5493.76 6037.86 104.36 o
2 10 0 30045.07 30746.10 479.49 o
3 10 0 40249.89 41363.95 583.39 o
4 10 0 27183.85 26298.63 415.63 o
5 10 0 549.50 524.00 32.97 o
6 10 0 4190.24 3930.74 115.02 o
7 10 0 7545.64 7705.29 170.11 o
8 10 0 11351.36 12337.30 295.78 o
9 10 0 17709.87 17808.86 506.13 o
1 11 0 12420.40 12756.94 232.97 o
2 11 0 898.34 822.80 29.43 o
3 11 0 90949.17 88772.48 1355.82 o
4 11 0 3254.01 3295.77 83.29 o
5 11 0 1599.72 1968.71 56.88 o
6 11 0 311.28 353.35 32.24 o
7 11 0 24203.70 24916.71 531.89 o
8 11 0 132.48 476.07 110.17 o
9 11 0 2648.43 2940.46 220.09 o
0 12 0 22842.51 23770.33 592.56 o
1 12 0 6458.70 7047.14 122.15 o
2 12 0 62963.32 63992.93 897.73 o
3 12 0 31574.15 31430.54 490.15 o
4 12 0 1531.94 1753.36 57.63 o
5 12 0 83.52 104.17 28.59 o
6 12 0 118.12 92.67 53.54 o
7 12 0 4449.50 4700.33 150.62 o
8 12 0 14853.51 15190.94 303.57 o
9 12 0 4132.03 4094.11 137.87 o
1 13 0 113.19 127.62 21.51 o
2 13 0 21492.42 22133.67 351.86 o
3 13 0 95.48 116.24 17.87 o
4 13 0 39303.76 38485.41 673.86 o
5 13 0 4651.21 4245.38 89.90 o
6 13 0 12828.90 12775.42 293.04 o
7 13 0 94.02 175.06 55.68 o
8 13 0 10486.88 10571.28 227.85 o
9 13 0 476.58 703.60 77.15 o
0 14 0 1854.60 1820.41 125.90 o
1 14 0 36439.76 35441.18 616.05 o
2 14 0 19044.42 18117.05 292.73 o
3 14 0 9370.69 9699.74 150.73 o
4 14 0 6668.90 6490.44 154.89 o
5 14 0 111.07 250.95 32.21 o
6 14 0 92.70 93.61 58.68 o
7 14 0 2466.83 2414.59 97.99 o
8 14 0 6634.57 6892.29 226.39 o
9 14 0 8835.23 8781.22 205.83 o
1 15 0 8766.16 8906.23 169.78 o
2 15 0 6716.21 7100.39 127.53 o
3 15 0 30842.89 31260.23 632.97 o
4 15 0 448.78 469.91 36.66 o
5 15 0 28939.31 28367.39 448.99 o
6 15 0 417.97 507.01 57.69 o
7 15 0 11651.39 11965.17 248.76 o
8 15 0 238.82 261.79 67.15 o
9 15 0 16.24 424.98 75.30 o
0 16 0 33486.04 31982.97 1125.22 o
1 16 0 54007.86 57304.06 1142.15 o
2 16 0 1449.30 1763.13 52.90 o
3 16 0 58.53 163.12 20.68 o
4 16 0 3148.67 3278.38 77.84 o
5 16 0 1868.14 1869.65 105.42 o
6 16 0 4514.14 4535.97 141.21 o
7 16 0 272.86 434.18 65.31 o
8 16 0 6351.81 6301.27 163.78 o
1 17 0 16800.47 14775.08 314.97 o
2 17 0 286.30 416.71 32.82 o
3 17 0 23.60 66.77 20.37 o
4 17 0 41164.22 41820.58 656.90 o
5 17 0 3872.57 3775.46 91.77 o
6 17 0 26240.59 26386.75 485.16 o
7 17 0 7588.67 7551.21 204.43 o
8 17 0 894.36 857.41 79.20 o
0 18 0 104360.70 101543.15 2458.16 o
1 18 0 7209.37 7212.01 171.11 o
2 18 0 16532.33 16354.63 244.16 o
3 18 0 8617.09 8247.10 134.18 o
4 18 0 7856.97 7414.18 141.28 o
5 18 0 3313.32 3377.23 102.30 o
6 18 0 2722.56 2798.88 135.91 o
7 18 0 5066.16 5201.62 142.57 o
8 18 0 790.92 660.06 82.91 o
1 19 0 6525.60 6460.91 133.56 o
2 19 0 8763.89 8268.99 148.72 o
3 19 0 8975.40 9038.68 146.80 o
4 19 0 5416.61 5337.54 112.35 o
5 19 0 51296.59 50937.98 897.84 o
6 19 0 3653.74 3513.06 113.36 o
7 19 0 5890.18 5528.56 148.34 o
8 19 0 455.31 389.14 72.30 o
0 20 0 24362.37 25351.00 639.83 o
1 20 0 49446.01 49639.78 862.45 o
2 20 0 1218.10 1439.59 56.28 o
3 20 0 641.80 650.64 38.02 o
4 20 0 14605.93 14002.94 238.81 o
5 20 0 1145.27 1423.13 75.56 o
6 20 0 3499.75 3718.71 119.15 o
7 20 0 1990.88 2036.54 98.89 o
8 20 0 678.88 566.97 78.84 o
1 21 0 4276.32 4168.54 99.89 o
2 21 0 7336.52 7102.85 147.66 o
3 21 0 831.06 936.79 59.58 o
4 21 0 14687.48 14618.26 247.90 o
5 21 0 5175.64 5021.13 134.21 o
6 21 0 23067.95 23092.87 435.97 o
7 21 0 346.86 487.09 77.99 o
8 21 0 730.54 698.70 83.02 o
0 22 0 56157.45 55291.68 1358.33 o
1 22 0 4198.58 4372.89 105.75 o
2 22 0 2579.21 2695.61 83.54 o
3 22 0 520.93 549.73 39.47 o
4 22 0 4388.07 4117.10 117.93 o
5 22 0 251.27 350.39 58.32 o
6 22 0 3858.57 4084.44 188.46 o
7 22 0 3383.45 3445.91 126.04 o
1 23 0 9794.01 9527.55 227.49 o
2 23 0 2673.02 2527.46 76.57 o
3 23 0 3757.23 3745.82 89.10 o
4 23 0 5045.42 4979.76 132.07 o
5 23 0 24780.31 23890.76 446.48 o
6 23 0 592.97 669.33 72.46 o
7 23 0 3601.30 3311.44 127.84 o
0 24 0 15973.82 15982.43 746.21 o
1 24 0 20666.10 21199.66 476.87 o
2 24 0 524.35 585.10 52.24 o
3 24 0 10390.00 10569.54 195.77 o
4 24 0 2.21 45.97 52.08 o
5 24 0 825.45 1038.14 74.22 o
6 24 0 109.67 200.69 64.58 o
7 24 0 7352.47 7579.29 190.03 o
1 25 0 12346.42 12222.52 238.48 o
2 25 0 4897.57 4931.13 118.07 o
3 25 0 1915.73 2044.29 73.85 o
4 25 0 13295.72 13342.14 414.93 o
5 25 0 344.15 344.28 64.23 o
6 25 0 18014.17 18027.76 357.26 o
7 25 0 8.86 81.49 68.48 o
0 26 0 11526.83 11245.65 316.89 o
1 26 0 6125.01 6036.59 138.35 o
2 26 0 8531.44 8981.66 204.40 o
3 26 0 131.98 155.75 40.24 o
4 26 0 7839.82 8075.68 337.87 o
5 26 0 15.21 99.51 67.39 o
6 26 0 7459.75 7770.62 190.95 o
7 26 0 2978.86 3036.40 124.06 o
1 27 0 205.59 357.16 48.81 o
2 27 0 23567.99 23420.78 429.91 o
3 27 0 2971.92 3112.51 158.12 o
4 27 0 1257.51 1541.49 84.99 o
5 27 0 10630.88 10436.44 228.99 o
6 27 0 31.56 154.53 69.69 o
0 28 0 2499.32 2490.43 123.23 o
1 28 0 10858.63 10742.79 217.82 o
2 28 0 1316.67 1434.92 68.38 o
3 28 0 6480.61 6415.42 183.59 o
4 28 0 12239.06 12564.35 300.31 o
5 28 0 35.25 54.90 64.51 o
6 28 0 1884.29 1977.13 131.75 o
1 29 0 11727.85 11952.07 276.24 o
2 29 0 1543.26 1667.23 74.27 o
3 29 0 6655.01 6417.44 277.46 o
4 29 0 10157.17 10358.73 260.88 o
5 29 0 3501.27 3370.04 124.96 o
6 29 0 5857.02 5612.06 162.70 o
0 30 0 13776.53 14652.90 404.11 o
1 30 0 1147.04 1196.72 123.38 o
2 30 0 16027.51 16515.80 316.68 o
3 30 0 409.65 641.14 75.14 o
4 30 0 2435.68 2430.63 121.02 o
5 30 0 411.88 388.24 72.64 o
1 31 0 818.77 948.15 63.80 o
2 31 0 3240.48 3229.34 145.09 o
3 31 0 10582.87 10753.35 290.70 o
4 31 0 5081.52 4937.38 166.32 o
5 31 0 4154.41 3915.36 218.71 o
0 32 0 848.67 844.02 167.86 o
1 32 0 11039.47 11685.74 237.68 o
2 32 0 779.33 810.42 80.70 o
3 32 0 4843.39 4761.67 160.50 o
4 32 0 340.77 368.58 99.24 o
1 33 0 7.52 48.16 51.17 o
2 33 0 2380.99 2711.49 124.58 o
3 33 0 3174.31 3240.47 131.63 o
4 33 0 3713.57 3648.09 147.18 o
0 34 0 2074.72 2014.82 125.82 o
1 34 0 1956.83 2027.13 104.11 o
2 34 0 8384.16 8882.13 233.57 o
3 34 0 823.81 1042.38 93.33 o
1 35 0 2106.50 2288.43 117.53 o
2 35 0 1110.42 1254.55 111.41 o
0 36 0 5771.41 5534.96 242.62 o
1 36 0 7261.23 7301.27 208.08 o
-9 0 1 92.25 47.21 128.52 o
-7 0 1 77151.93 76390.59 1519.18 o
-5 0 1 87143.05 83918.61 1282.89 o
-3 0 1 7510.43 7426.62 121.49 o
-1 0 1 204.79 -15.90 15.90 o
1 0 1 38240.60 40400.96 799.39 o
3 0 1 50167.25 51541.56 1019.43 o
5 0 1 138353.23 135274.67 3949.68 o
7 0 1 46.42 52.03 57.59 o
9 0 1 3546.74 5948.19 346.22 o
-10 1 1 5324.00 5200.31 240.34 o
-9 1 1 1586.80 1658.41 99.42 o
-8 1 1 90.41 102.01 38.81 o
-7 1 1 26.90 315.86 58.23 o
-6 1 1 4473.81 4885.90 74.75 o
-5 1 1 10306.74 10531.65 123.44 o
-4 1 1 190.59 310.81 14.38 o
-3 1 1 207.64 81.12 8.72 o
-2 1 1 53843.07 56050.87 578.08 o
-1 1 1 149108.80 151687.48 1501.37 o
0 1 1 76147.20 81752.88 1864.05 o
1 1 1 11784.16 12325.59 175.04 o
2 1 1 3174.64 3317.99 76.94 o
3 1 1 105.04 317.72 25.01 o
4 1 1 2384.04 2231.34 44.24 o
5 1 1 21786.10 21081.88 306.54 o
6 1 1 308.72 459.41 41.45 o
7 1 1 286.04 271.64 61.00 o
8 1 1 175.14 238.22 50.86 o
9 1 1 16981.95 16757.33 483.14 o
-10 2 1 408.11 696.11 129.19 o
-9 2 1 648.40 611.66 78.77 o
-8 2 1 2684.66 2741.12 77.61 o
-7 2 1 3063.19 2760.93 73.98 o
-6 2 1 96292.71 93666.62 1132.86 o
-5 2 1 60.44 78.30 19.12 o
-4 2 1 761.99 800.08 18.94 o
-3 2 1 1410.87 1297.21 20.77 o
-2 2 1 201.19 187.17 9.37 o
-1 2 1 3368.60 2871.26 34.67 o
0 2 1 28725.47 30209.03 1333.49 o
1 2 1 141.88 224.62 14.86 o
2 2 1 4875.04 4329.90 108.28 o
3 2 1 283.55 260.89 19.79 o
4 2 1 117292.02 114452.62 1597.32 o
5 2 1 2040.16 1890.11 54.63 o
6 2 1 27739.99 27146.33 429.04 o
7 2 1 1397.35 1340.25 63.14 o
8 2 1 238.22 334.23 72.60 o
9 2 1 37.79 789.49 170.49 o
-10 3 1 6763.37 6717.17 272.50 o
-9 3 1 221.21 237.52 70.82 o
-8 3 1 4993.35 4867.48 106.77 o
-7 3 1 923.92 1041.12 43.37 o
-6 3 1 3032.02 3349.84 61.75 o
-5 3 1 729.24 576.96 21.69 o
-4 3 1 58.48 125.75 15.45 o
-3 3 1 25274.53 25089.71 251.11 o
-2 3 1 43678.49 45938.18 496.57 o
-1 3 1 64283.27 67477.20 777.57 o
0 3 1 59162.55 60589.51 857.79 o
1 3 1 10358.41 11163.68 181.15 o
2 3 1 2458.24 2592.84 57.68 o
3 3 1 6704.67 6524.74 111.89 o
4 3 1 3148.19 2642.83 53.67 o
5 3 1 347.49 438.53 38.51 o
6 3 1 16802.92 16577.55 270.46 o
7 3 1 7830.23 7746.32 165.12 o
8 3 1 4729.42 4224.50 141.26 o
9 3 1 6877.08 6493.36 256.83 o
-10 4 1 2907.10 2698.97 181.64 o
-9 4 1 2630.54 2575.47 121.01 o
-8 4 1 1687.80 1645.31 65.41 o
-7 4 1 24550.54 23661.45 347.51 o
-6 4 1 7158.15 6686.65 102.47 o
-5 4 1 26050.86 25814.35 301.39 o
-4 4 1 3055.19 3094.61 42.87 o
-3 4 1 1179.11 1305.29 21.95 o
-2 4 1 26958.65 28458.60 328.53 o
-1 4 1 44.17 -0.69 8.67 o
0 4 1 18639.11 18341.91 267.92 o
1 4 1 15936.93 16513.00 233.93 o
2 4 1 10127.45 9632.77 175.71 o
3 4 1 59021.68 60074.77 921.82 o
4 4 1 9103.48 8992.08 139.48 o
5 4 1 44875.30 43693.46 678.73 o
6 4 1 3.70 66.90 30.55 o
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8 4 1 3013.34 2934.39 123.65 o
9 4 1 918.23 1734.73 173.11 o
-10 5 1 849.94 738.17 155.62 o
-9 5 1 4496.97 4486.02 155.03 o
-8 5 1 124.60 410.83 50.51 o
-7 5 1 2147.48 2261.07 61.67 o
-6 5 1 6951.27 6313.58 97.65 o
-5 5 1 19789.69 19518.07 230.55 o
-4 5 1 557.63 551.92 19.84 o
-3 5 1 25126.03 26307.62 288.37 o
-2 5 1 55634.07 56970.39 650.29 o
-1 5 1 68799.67 71616.27 1366.44 o
0 5 1 49386.06 55142.43 1224.68 o
1 5 1 19420.62 20748.21 292.65 o
2 5 1 1911.20 1985.78 48.84 o
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4 5 1 0.75 42.53 20.64 o
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6 5 1 1620.23 1634.33 51.57 o
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9 5 1 10331.16 10230.82 264.39 o
-9 6 1 330.43 371.57 78.10 o
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-1 7 1 461.80 312.96 15.85 o
0 7 1 1690.69 2140.08 38.82 o
1 7 1 19595.08 20575.94 291.91 o
2 7 1 52565.47 55968.26 1009.18 o
3 7 1 729.00 686.95 71.86 o
4 7 1 1536.78 1167.81 30.05 o
5 7 1 14967.95 14226.47 234.59 o
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-6 8 1 137.36 116.29 19.58 o
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0 8 1 22486.25 22945.05 356.10 o
1 8 1 83774.64 86108.10 2230.48 o
2 8 1 30603.07 30468.33 632.53 o
3 8 1 70208.13 69838.91 1200.15 o
4 8 1 2107.15 2036.41 51.41 o
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