#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:44:30 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181914 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/13/2241365.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_2241365
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.7853
_cell_length_b                   8.9442
_cell_length_c                   14.3528
_exptl_crystal_F_000             352.00
_reflns_d_resolution_high        0.8304
_cod_data_source_file            is5433Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 20150805'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            67.03
_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'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, 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 0 564.52 494.19 12.88 o
4 0 0 197.19 199.88 8.49 o
6 0 0 82.20 77.70 4.11 o
1 1 0 3976.03 4126.26 106.63 o
2 1 0 269.33 262.46 5.10 o
3 1 0 631.27 628.85 15.41 o
4 1 0 10.02 14.86 0.59 o
5 1 0 253.81 248.93 8.60 o
6 1 0 6.07 6.78 0.82 o
0 2 0 2029.03 2159.70 69.69 o
1 2 0 5.82 7.45 0.37 o
2 2 0 151.58 145.83 2.63 o
3 2 0 683.77 713.30 15.17 o
4 2 0 265.28 281.41 9.53 o
5 2 0 9.77 12.38 1.39 o
6 2 0 193.18 197.71 7.29 o
1 3 0 111.84 107.60 1.49 o
2 3 0 336.10 304.89 5.72 o
3 3 0 267.70 287.33 9.90 o
4 3 0 461.05 489.34 15.41 o
5 3 0 2.64 3.32 0.70 o
6 3 0 88.11 94.10 3.67 o
0 4 0 24.88 18.54 0.53 o
1 4 0 104.82 102.68 2.20 o
2 4 0 18.24 18.87 0.81 o
3 4 0 333.22 347.26 13.08 o
4 4 0 32.77 37.26 2.35 o
5 4 0 92.47 92.13 3.52 o
6 4 0 0.80 1.12 0.49 o
1 5 0 958.62 939.01 24.10 o
2 5 0 103.16 94.96 2.90 o
3 5 0 0.14 3.74 1.50 o
4 5 0 1.08 0.79 0.46 o
5 5 0 9.83 10.42 0.85 o
6 5 0 96.21 105.90 4.84 o
0 6 0 13.16 10.46 0.82 o
1 6 0 0.01 3.15 0.94 o
2 6 0 1.27 2.93 0.56 o
3 6 0 0.67 1.75 0.60 o
4 6 0 315.11 320.96 11.90 o
5 6 0 8.19 8.44 0.71 o
1 7 0 3.75 5.51 1.30 o
2 7 0 82.28 79.78 3.82 o
3 7 0 20.81 22.04 1.19 o
4 7 0 0.12 0.15 0.27 o
5 7 0 2.64 3.84 0.50 o
0 8 0 67.27 86.18 4.72 o
1 8 0 119.69 137.49 7.02 o
2 8 0 99.39 105.13 6.46 o
3 8 0 23.80 28.70 1.97 o
4 8 0 48.79 41.16 2.70 o
1 9 0 49.65 62.41 8.31 o
2 9 0 200.87 187.66 8.99 o
3 9 0 29.03 38.02 3.64 o
0 10 0 0.02 1.17 1.07 o
1 10 0 174.69 171.03 8.44 o
2 10 0 1.08 5.46 2.96 o
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2 0 1 1438.59 1420.12 28.90 o
3 0 1 2468.38 2570.21 62.09 o
4 0 1 211.62 210.07 6.26 o
5 0 1 77.01 82.22 2.63 o
6 0 1 69.63 76.86 3.19 o
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-4 1 1 38.25 33.07 1.21 o
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-2 1 1 104.96 106.87 2.02 o
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0 1 1 1355.52 1410.74 26.38 o
1 1 1 1021.22 990.61 18.38 o
2 1 1 103.45 111.18 2.05 o
3 1 1 274.54 283.83 5.85 o
4 1 1 38.68 38.41 1.16 o
5 1 1 220.09 231.50 7.63 o
6 1 1 14.54 13.90 1.04 o
-6 2 1 28.07 26.18 1.46 o
-5 2 1 31.46 31.05 1.95 o
-4 2 1 154.99 152.49 4.77 o
-3 2 1 37.13 37.81 0.83 o
-2 2 1 189.80 197.98 5.15 o
-1 2 1 1231.49 1228.46 24.61 o
0 2 1 1907.49 1909.13 43.21 o
1 2 1 1231.34 1237.26 24.79 o
2 2 1 189.89 200.20 3.62 o
3 2 1 37.13 37.15 1.01 o
4 2 1 156.15 157.02 4.52 o
5 2 1 32.02 30.66 1.98 o
6 2 1 29.17 26.83 1.55 o
-6 3 1 24.81 24.81 1.49 o
-5 3 1 33.00 34.88 1.66 o
-4 3 1 85.67 94.22 4.72 o
-3 3 1 417.98 452.60 14.83 o
-2 3 1 100.50 101.59 1.88 o
-1 3 1 749.19 755.78 13.93 o
0 3 1 4493.04 4819.77 138.58 o
1 3 1 752.59 766.77 14.35 o
2 3 1 101.10 106.19 2.46 o
3 3 1 419.38 440.88 9.64 o
4 3 1 85.79 87.89 3.50 o
5 3 1 33.04 32.45 1.84 o
6 3 1 24.16 22.69 1.50 o
-6 4 1 33.38 28.67 1.75 o
-5 4 1 66.95 64.74 2.69 o
-4 4 1 30.49 32.49 1.71 o
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-2 4 1 365.12 369.52 11.46 o
-1 4 1 675.12 666.08 14.78 o
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2 4 1 367.50 375.83 9.89 o
3 4 1 28.54 29.68 1.23 o
4 4 1 30.53 32.77 1.55 o
5 4 1 66.93 59.53 2.51 o
6 4 1 33.53 31.90 1.59 o
-6 5 1 47.59 50.85 2.64 o
-5 5 1 32.47 30.06 1.61 o
-4 5 1 141.43 139.84 4.77 o
-3 5 1 344.78 357.28 11.56 o
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-1 5 1 163.33 150.70 4.03 o
0 5 1 325.36 342.70 6.68 o
1 5 1 163.49 146.44 4.73 o
2 5 1 78.08 78.21 3.08 o
3 5 1 345.44 348.36 12.05 o
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5 5 1 32.30 29.69 1.68 o
6 5 1 48.33 50.40 2.63 o
-5 6 1 0.88 1.81 0.52 o
-4 6 1 169.16 178.54 7.79 o
-3 6 1 80.87 80.92 2.79 o
-2 6 1 7.23 10.11 1.04 o
-1 6 1 293.21 299.95 11.18 o
0 6 1 41.59 47.23 1.64 o
1 6 1 295.45 310.49 10.24 o
2 6 1 7.76 12.82 1.25 o
3 6 1 80.31 78.67 3.16 o
4 6 1 168.71 172.07 5.69 o
5 6 1 0.86 0.49 0.42 o
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-2 7 1 14.53 16.36 1.51 o
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0 7 1 32.72 30.65 1.43 o
1 7 1 198.96 199.92 7.35 o
2 7 1 15.10 13.82 1.09 o
3 7 1 59.09 57.17 2.30 o
4 7 1 31.47 33.27 1.55 o
5 7 1 11.09 8.68 1.19 o
-4 8 1 42.76 36.54 2.32 o
-3 8 1 12.71 13.30 1.82 o
-2 8 1 57.53 60.53 4.34 o
-1 8 1 69.53 73.99 5.37 o
0 8 1 80.88 78.77 3.12 o
1 8 1 69.20 78.68 7.60 o
2 8 1 57.35 54.50 3.15 o
3 8 1 12.32 12.40 1.03 o
4 8 1 42.41 39.26 2.72 o
-3 9 1 0.45 0.44 0.46 o
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0 9 1 18.41 18.04 1.47 o
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2 9 1 6.31 7.90 1.23 o
3 9 1 0.47 0.50 0.69 o
-2 10 1 10.65 13.23 1.28 o
-1 10 1 1.04 0.38 0.54 o
0 10 1 3.68 2.27 1.10 o
1 10 1 1.00 0.28 0.30 o
2 10 1 10.30 12.69 1.43 o
0 0 2 3730.17 3751.26 115.95 o
1 0 2 3614.34 3619.34 84.22 o
2 0 2 27.44 28.14 0.62 o
3 0 2 73.17 78.91 1.75 o
4 0 2 56.68 57.48 1.50 o
5 0 2 24.23 31.26 1.61 o
6 0 2 51.07 53.47 2.19 o
-6 1 2 18.03 17.50 1.16 o
-5 1 2 373.40 380.43 13.01 o
-4 1 2 44.83 41.64 1.13 o
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-2 1 2 1369.87 1330.68 27.51 o
-1 1 2 2019.41 1975.71 43.51 o
0 1 2 1445.05 1459.28 28.43 o
1 1 2 2009.73 1967.27 40.84 o
2 1 2 1376.06 1303.85 25.82 o
3 1 2 325.04 307.62 8.60 o
4 1 2 44.34 40.01 1.21 o
5 1 2 373.58 396.95 12.58 o
6 1 2 18.02 16.75 0.87 o
-6 2 2 13.22 14.03 1.10 o
-5 2 2 77.15 78.57 2.80 o
-4 2 2 114.42 117.93 3.49 o
-3 2 2 35.78 35.08 0.92 o
-2 2 2 13.66 18.08 0.51 o
-1 2 2 350.02 341.11 5.63 o
0 2 2 3201.00 3487.28 88.60 o
1 2 2 350.01 343.05 5.50 o
2 2 2 13.35 17.14 0.46 o
3 2 2 35.91 35.90 0.89 o
4 2 2 114.88 125.69 3.79 o
5 2 2 76.82 78.15 2.93 o
6 2 2 13.24 14.68 1.05 o
-6 3 2 56.11 54.34 2.39 o
-5 3 2 49.04 51.64 2.05 o
-4 3 2 151.09 152.74 4.35 o
-3 3 2 400.64 412.00 12.25 o
-2 3 2 358.82 325.34 7.53 o
-1 3 2 1043.19 1055.91 21.34 o
0 3 2 1572.47 1624.04 34.64 o
1 3 2 1043.24 1066.18 21.95 o
2 3 2 358.36 325.74 5.98 o
3 3 2 400.25 407.31 10.21 o
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5 3 2 48.99 50.07 2.17 o
6 3 2 57.54 57.21 2.15 o
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-4 4 2 100.13 101.44 5.14 o
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0 4 2 23.52 28.86 0.49 o
1 4 2 1142.31 1134.57 23.47 o
2 4 2 405.99 391.96 11.04 o
3 4 2 87.40 77.74 2.54 o
4 4 2 99.60 98.86 4.07 o
5 4 2 5.28 5.83 0.82 o
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-6 5 2 44.15 49.40 2.71 o
-5 5 2 179.95 180.32 6.70 o
-4 5 2 130.85 129.05 5.38 o
-3 5 2 79.84 79.91 3.08 o
-2 5 2 58.27 65.87 2.34 o
-1 5 2 262.44 253.55 7.26 o
0 5 2 209.86 191.76 3.36 o
1 5 2 262.31 253.53 5.97 o
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3 5 2 79.12 79.27 3.39 o
4 5 2 131.14 130.89 4.28 o
5 5 2 180.31 177.69 6.72 o
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-5 6 2 91.42 86.28 2.99 o
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-1 6 2 43.87 49.00 1.65 o
0 6 2 83.99 75.90 3.30 o
1 6 2 42.46 45.67 1.83 o
2 6 2 346.72 371.27 12.01 o
3 6 2 32.71 33.59 1.65 o
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-1 1 3 951.21 890.77 16.45 o
0 1 3 13.96 15.31 0.40 o
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2 1 3 1291.06 1259.29 23.90 o
3 1 3 296.19 301.95 7.92 o
4 1 3 728.39 771.85 25.90 o
5 1 3 45.90 46.65 1.72 o
6 1 3 77.79 77.70 2.50 o
-6 2 3 15.85 16.12 1.14 o
-5 2 3 89.34 88.87 3.06 o
-4 2 3 29.72 29.10 1.06 o
-3 2 3 337.59 354.89 7.79 o
-2 2 3 1061.91 1085.87 21.77 o
-1 2 3 364.09 350.31 5.48 o
0 2 3 1.88 3.88 0.26 o
1 2 3 363.72 362.03 5.65 o
2 2 3 1056.61 1087.16 22.21 o
3 2 3 340.57 343.34 8.63 o
4 2 3 29.41 29.08 1.08 o
5 2 3 89.48 87.52 2.81 o
6 2 3 15.97 15.40 0.97 o
-6 3 3 3.07 2.68 0.58 o
-5 3 3 78.83 79.93 2.81 o
-4 3 3 138.30 136.97 4.51 o
-3 3 3 256.79 278.69 6.99 o
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-1 3 3 542.00 551.65 9.89 o
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2 3 3 116.46 109.78 1.97 o
3 3 3 257.76 262.87 6.73 o
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5 3 3 78.67 77.09 3.02 o
6 3 3 3.15 2.74 0.49 o
-6 4 3 15.82 15.36 1.21 o
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-4 4 3 8.90 9.33 0.83 o
-3 4 3 158.21 158.30 6.97 o
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-1 4 3 184.25 172.55 3.05 o
0 4 3 169.42 184.50 2.79 o
1 4 3 187.27 179.60 2.93 o
2 4 3 775.16 766.41 22.80 o
3 4 3 156.93 154.39 5.11 o
4 4 3 8.37 8.79 0.80 o
5 4 3 156.37 145.04 5.12 o
6 4 3 15.64 15.68 1.20 o
-6 5 3 9.70 11.14 1.05 o
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-4 5 3 40.54 41.38 1.94 o
-3 5 3 31.02 32.33 1.55 o
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-1 5 3 132.31 130.14 3.43 o
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1 5 3 135.09 134.57 2.95 o
2 5 3 9.83 10.87 0.72 o
3 5 3 31.85 31.56 1.40 o
4 5 3 40.43 40.12 1.84 o
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0 6 3 0.60 1.72 0.29 o
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0 7 3 530.90 541.64 19.78 o
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2 7 3 38.68 37.90 1.83 o
3 7 3 12.31 15.05 1.40 o
4 7 3 36.66 38.29 1.55 o
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-3 8 3 1.12 1.23 0.58 o
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2 8 3 79.52 79.24 3.64 o
3 8 3 1.23 1.69 0.47 o
4 8 3 15.59 16.79 1.70 o
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-2 9 3 20.94 16.87 1.19 o
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1 9 3 24.82 24.60 1.47 o
2 9 3 20.85 18.66 1.40 o
3 9 3 66.51 63.96 3.03 o
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-1 10 3 36.81 45.12 3.16 o
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0 0 4 819.78 784.22 18.48 o
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