#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:48:41 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181886 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/09/2230980.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_2230980
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.9091
_cell_length_b                   11.9091
_cell_length_c                   22.8882
_exptl_crystal_F_000             4068.00
_reflns_d_resolution_high        0.7997
_cod_data_source_file            ru2009Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 11971 in I4/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1645.65
_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'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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
1 1 0 5487.83 5774.63 670.58 o
0 2 0 7954.63 9865.37 1376.32 o
2 2 0 7274.20 13218.35 1895.44 o
1 3 0 107.44 658.29 935.28 o
3 3 0 725053.94 840180.69 40125.28 o
0 4 0 2904.82 1828.72 1148.26 o
4 4 0 81042.24 80035.91 2895.97 o
-3 5 0 253633.61 273545.59 10651.33 o
-1 5 0 106.12 819.92 1326.20 o
1 5 0 25694.89 26630.86 2702.62 o
3 5 0 53357.22 62363.42 3820.28 o
5 5 0 152779.08 161127.27 7347.49 o
-4 6 0 111014.98 102996.62 3569.89 o
-2 6 0 2708150.00 2327959.50 122680.41 o
0 6 0 149555.53 171694.44 9211.38 o
2 6 0 39413.04 43256.08 4019.70 o
4 6 0 36393.72 36116.55 2739.45 o
6 6 0 224572.23 238066.34 5552.77 o
-5 7 0 167.43 842.08 2259.11 o
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-1 7 0 668918.50 772672.75 32411.27 o
1 7 0 112278.04 106472.19 7092.29 o
3 7 0 273253.91 308377.56 12295.22 o
5 7 0 594246.31 706038.94 30949.46 o
7 7 0 600860.06 687173.31 57744.55 o
-6 8 0 960099.19 1017000.56 55186.43 o
-4 8 0 198539.61 191266.86 15593.14 o
-2 8 0 219247.81 215684.50 22586.62 o
0 8 0 7563.63 5508.07 2570.36 o
2 8 0 31760.83 23172.88 3515.09 o
4 8 0 1162395.25 1350003.88 76363.27 o
6 8 0 312135.78 379051.63 50253.28 o
8 8 0 606.19 1484.17 3778.02 o
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1 9 0 15717.64 13489.61 3420.79 o
3 9 0 14836.49 6062.22 3364.34 o
5 9 0 5902.76 5244.74 3634.62 o
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9 9 0 2075.62 -1317.02 4804.11 o
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-2 10 0 162.82 2352.18 3618.71 o
0 10 0 1077152.00 1129300.88 47319.49 o
2 10 0 719640.63 820478.06 56925.39 o
4 10 0 1944.49 2850.10 3593.28 o
6 10 0 315.59 7749.82 4872.90 o
8 10 0 152675.25 181392.42 43361.56 o
10 10 0 208490.97 304766.00 59744.75 o
-9 11 0 48785.94 54392.50 10667.75 o
-7 11 0 92838.69 116612.83 16705.39 o
-5 11 0 251494.03 260059.61 9796.09 o
-3 11 0 17110.10 16257.52 4707.24 o
-1 11 0 784.11 789.13 4469.69 o
1 11 0 90340.16 96202.09 9994.57 o
3 11 0 96298.94 100528.16 6738.21 o
5 11 0 375309.69 460096.91 57019.61 o
7 11 0 174974.09 207060.19 53319.93 o
9 11 0 49497.25 67341.12 15481.36 o
-8 12 0 226570.16 288989.38 36157.17 o
-6 12 0 11236.39 8904.63 5690.94 o
-4 12 0 574561.13 626302.56 18262.35 o
-2 12 0 109715.73 118928.65 11636.22 o
0 12 0 43106.13 39932.93 5460.29 o
2 12 0 65159.15 62995.78 6806.15 o
4 12 0 150317.86 164530.91 20689.97 o
6 12 0 621287.81 842726.88 150545.69 o
8 12 0 136392.58 178664.94 41149.23 o
-7 13 0 6219.52 5815.04 9242.10 o
-5 13 0 113431.20 125094.59 13377.56 o
-3 13 0 144319.59 137764.39 8875.96 o
-1 13 0 75470.33 61123.80 6589.10 o
1 13 0 292452.56 270376.78 13931.45 o
3 13 0 88001.23 87021.62 7426.65 o
5 13 0 679.91 869.40 6040.79 o
7 13 0 3009.87 1117.88 7816.26 o
-4 14 0 107371.69 104936.15 16172.56 o
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2 14 0 218276.58 224144.23 17658.94 o
4 14 0 297745.38 306491.44 26198.26 o
0 1 1 25.07 1115.09 318.91 o
-1 2 1 56.89 422.69 430.25 o
0 3 1 17633.46 22107.64 1641.19 o
2 3 1 74721.09 73984.06 3924.09 o
-3 4 1 19111.44 25110.62 1298.41 o
1 4 1 480733.00 514334.69 35014.39 o
3 4 1 2101.85 2434.17 1003.16 o
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0 5 1 19885.74 22428.11 1354.29 o
2 5 1 4870.35 6558.67 1107.87 o
4 5 1 8687.39 6756.85 1253.88 o
-5 6 1 12189.73 11323.15 1568.42 o
-3 6 1 255431.64 270466.34 10120.23 o
-1 6 1 9315.17 7633.22 1233.82 o
1 6 1 8617.30 6505.53 1198.64 o
3 6 1 71405.09 80248.61 2369.58 o
5 6 1 12905.18 7048.15 1563.49 o
-6 7 1 43665.73 44038.75 2634.17 o
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0 7 1 236.54 2326.15 1480.12 o
2 7 1 268.30 443.90 1339.01 o
4 7 1 5536.67 4523.41 1594.43 o
6 7 1 2228.20 1549.78 1758.64 o
-7 8 1 33834.12 35747.84 3728.87 o
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-3 8 1 123123.11 128294.70 6395.99 o
-1 8 1 45761.98 55359.66 2429.68 o
1 8 1 90332.13 89274.07 4063.61 o
5 8 1 7384.57 6748.16 2155.57 o
7 8 1 71031.67 84732.21 7985.57 o
-8 9 1 23696.90 29036.75 3923.24 o
-6 9 1 212.16 -1581.05 2381.63 o
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0 9 1 6658.79 5913.47 2240.27 o
2 9 1 1997.77 3557.35 2242.54 o
4 9 1 26205.23 27079.08 2929.34 o
6 9 1 227.34 2050.92 2825.61 o
8 9 1 3.63 -1849.06 3089.24 o
-7 10 1 2069.09 2373.55 4104.53 o
-5 10 1 97246.41 94573.66 4730.94 o
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-1 10 1 210386.05 223955.28 8472.55 o
1 10 1 28100.28 25189.35 3003.41 o
3 10 1 12275.63 11156.62 2752.33 o
5 10 1 7877.54 6008.05 2773.21 o
7 10 1 2240.92 1745.20 3361.33 o
9 10 1 73319.83 85987.80 17624.77 o
-10 11 1 2707.21 6313.19 7598.77 o
-8 11 1 53540.40 50737.25 7404.45 o
-6 11 1 2295.48 -453.46 3407.94 o
-4 11 1 12232.11 9473.09 3258.32 o
-2 11 1 107367.47 108009.48 4924.56 o
0 11 1 7254.11 1977.27 2685.48 o
2 11 1 23560.49 23649.00 3240.93 o
4 11 1 14003.60 17989.27 3228.92 o
6 11 1 170887.47 232630.31 28248.17 o
8 11 1 57875.02 59464.22 10541.25 o
10 11 1 25271.00 56355.07 20859.48 o
-7 12 1 10726.74 7455.63 5049.81 o
-5 12 1 24964.16 21040.77 4133.92 o
-3 12 1 9475.10 3608.64 3318.76 o
-1 12 1 2184.08 2917.83 3017.01 o
1 12 1 20299.04 23344.12 3504.71 o
3 12 1 16738.84 15022.89 3402.33 o
5 12 1 43415.52 42446.16 5936.02 o
7 12 1 4925.32 9358.22 4441.77 o
-6 13 1 45683.86 43771.71 5694.43 o
-4 13 1 83841.42 94432.84 5712.32 o
-2 13 1 9702.35 5552.07 3764.55 o
0 13 1 1739.20 3630.39 3295.45 o
2 13 1 359.71 3765.63 3451.60 o
4 13 1 34102.88 31967.68 4303.08 o
6 13 1 2813.12 6671.56 4487.80 o
-5 14 1 5493.20 1508.14 6825.71 o
-3 14 1 52146.30 43589.98 5864.55 o
-1 14 1 57542.50 55489.75 4853.33 o
1 14 1 20047.07 14477.79 3999.46 o
3 14 1 13921.97 14231.78 4264.69 o
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1 3 2 1600.00 3523.01 766.51 o
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0 4 2 565.50 355.01 759.82 o
2 4 2 15378.89 17070.40 1107.56 o
4 4 2 4678.81 5962.61 1094.73 o
-3 5 2 27066.73 23932.93 1431.70 o
-1 5 2 4815.97 4772.90 1009.55 o
1 5 2 93344.25 103918.41 5471.92 o
3 5 2 22360.88 16801.22 1329.46 o
5 5 2 70996.23 72521.27 3076.19 o
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-2 6 2 57540.05 63886.11 2690.40 o
0 6 2 8840.50 3474.55 1421.53 o
2 6 2 25151.30 22355.51 1617.18 o
4 6 2 13134.54 13763.08 1595.12 o
6 6 2 3097.55 3837.41 1600.87 o
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1 7 2 76432.17 78814.96 3001.11 o
3 7 2 19952.04 24293.17 1795.14 o
5 7 2 20.32 1116.42 1733.71 o
7 7 2 1752.78 -663.98 2065.45 o
-6 8 2 4774.54 6949.04 2059.51 o
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-2 8 2 13638.19 13821.40 2067.76 o
0 8 2 9.64 -459.27 1739.94 o
2 8 2 14260.71 15768.20 2322.31 o
4 8 2 271.47 659.57 1893.95 o
6 8 2 2484.84 3829.36 2333.61 o
8 8 2 5822.79 5157.62 2736.64 o
-7 9 2 124681.36 134301.52 8543.36 o
-5 9 2 291.50 672.70 2278.65 o
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4 10 2 319.61 2059.17 2725.54 o
6 10 2 547.33 -2103.08 3145.28 o
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8 12 2 248.27 2654.07 4507.56 o
-7 13 2 230.80 -244.08 7710.40 o
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-3 13 2 27368.46 22563.40 4490.41 o
-1 13 2 56962.55 51993.38 4511.84 o
1 13 2 33765.02 31376.11 4074.82 o
3 13 2 4749.57 9768.80 3660.64 o
5 13 2 440.87 616.34 4186.01 o
7 13 2 57896.24 88610.40 14682.55 o
-4 14 2 460.53 42.58 6541.65 o
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0 1 3 32843.93 28195.17 1982.01 o
-1 2 3 5308.08 3024.83 518.84 o
-2 3 3 48853.09 51839.17 1768.07 o
0 3 3 11645.96 12907.49 811.72 o
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1 4 3 148616.63 142070.61 6009.44 o
3 4 3 144424.67 168546.98 4902.47 o
-4 5 3 24572.30 31893.25 1652.94 o
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0 5 3 1198184.63 1189434.63 55150.07 o
2 5 3 274714.28 264838.50 10820.33 o
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-5 6 3 65103.28 66947.49 3624.94 o
-3 6 3 434.03 1261.55 1130.63 o
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1 6 3 34534.54 34212.93 2519.80 o
3 6 3 743385.13 798868.13 18944.01 o
5 6 3 289420.84 348918.75 11307.63 o
-6 7 3 127813.46 133278.75 5753.10 o
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-2 7 3 383745.44 395207.91 18733.53 o
0 7 3 220773.17 255935.00 8511.52 o
2 7 3 109328.23 118809.03 3552.74 o
4 7 3 22.82 1161.34 1597.20 o
-7 8 3 110720.82 122493.69 7065.88 o
-5 8 3 93768.42 102700.20 5926.35 o
-3 8 3 47623.23 51533.39 3229.03 o
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1 8 3 419724.78 418938.59 14402.67 o
3 8 3 180127.14 189048.13 4206.38 o
5 8 3 55.27 1402.84 2004.99 o
7 8 3 144607.55 164529.77 13683.16 o
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3 10 3 27033.03 30437.56 3233.63 o
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7 10 3 131969.52 180355.20 23569.02 o
9 10 3 95343.34 123204.17 15009.74 o
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-4 11 3 25707.56 19772.48 3538.68 o
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8 11 3 26696.02 27265.10 6543.54 o
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-3 12 3 35813.14 31741.06 4386.44 o
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0 2 4 28822.24 28338.72 3022.24 o
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1 3 4 400319.06 425523.19 16311.69 o
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