#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:52:36 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181893 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/93/2239364.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_2239364
_cell_angle_alpha                105.545
_cell_angle_beta                 98.929
_cell_angle_gamma                101.537
_cell_length_a                   8.6652
_cell_length_b                   9.4596
_cell_length_c                   10.3457
_exptl_crystal_F_000             316.00
_reflns_d_resolution_high        0.8301
_cod_data_source_file            is5357Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' u140118mas2 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            110.48
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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 3936.79 4024.02 31.93 o
2 0 0 1097.03 1191.76 7.33 o
3 0 0 1858.89 1976.98 12.09 o
4 0 0 2.76 3.85 0.40 o
5 0 0 688.60 685.99 6.25 o
6 0 0 14.77 13.96 1.05 o
7 0 0 35.61 33.78 0.86 o
8 0 0 172.06 169.36 1.43 o
9 0 0 89.97 97.77 1.01 o
-10 1 0 0.56 1.68 0.39 o
-9 1 0 197.62 205.26 1.73 o
-8 1 0 137.10 141.33 1.29 o
-7 1 0 32.36 33.07 0.80 o
-6 1 0 31.58 28.27 0.96 o
-5 1 0 431.97 424.87 3.70 o
-4 1 0 0.24 0.65 0.37 o
-3 1 0 678.02 712.54 4.94 o
-2 1 0 76.39 82.83 0.78 o
-1 1 0 1891.06 1890.29 10.53 o
0 1 0 192.58 186.60 0.93 o
1 1 0 1536.75 1530.92 9.45 o
2 1 0 503.82 524.69 3.66 o
3 1 0 13.35 15.64 0.49 o
4 1 0 225.63 262.39 2.35 o
5 1 0 90.05 84.77 1.46 o
6 1 0 6.80 6.67 0.84 o
7 1 0 388.50 379.66 3.20 o
8 1 0 8.56 7.15 0.50 o
9 1 0 9.15 10.33 0.36 o
-10 2 0 16.43 20.33 0.65 o
-9 2 0 26.53 26.05 0.49 o
-8 2 0 14.32 12.32 0.46 o
-7 2 0 119.79 117.05 1.11 o
-6 2 0 2.18 2.44 0.58 o
-5 2 0 40.08 32.86 0.91 o
-4 2 0 947.82 1077.44 7.18 o
-3 2 0 80.03 81.78 0.84 o
-2 2 0 54.82 59.68 0.66 o
-1 2 0 2652.91 2764.56 14.97 o
0 2 0 6229.72 6457.46 33.75 o
1 2 0 848.34 884.79 4.97 o
2 2 0 15.24 20.90 0.62 o
3 2 0 270.37 290.24 2.49 o
4 2 0 17.66 14.58 1.12 o
5 2 0 271.58 235.17 3.09 o
6 2 0 31.07 30.15 0.88 o
7 2 0 38.62 37.74 0.92 o
8 2 0 150.13 159.39 1.49 o
9 2 0 147.97 174.66 2.46 o
-10 3 0 28.73 35.38 0.58 o
-9 3 0 212.92 226.20 1.61 o
-8 3 0 177.37 168.11 1.35 o
-7 3 0 13.03 12.57 0.99 o
-6 3 0 307.15 268.31 2.90 o
-5 3 0 351.47 339.36 3.15 o
-4 3 0 57.79 79.47 0.98 o
-3 3 0 794.12 799.70 4.77 o
-2 3 0 0.31 0.40 0.26 o
-1 3 0 3780.78 3872.91 23.55 o
0 3 0 5066.49 5163.03 30.63 o
1 3 0 205.71 216.71 1.45 o
2 3 0 396.32 391.05 2.83 o
3 3 0 131.06 177.67 1.90 o
4 3 0 73.58 74.48 1.67 o
5 3 0 88.26 78.07 1.94 o
6 3 0 27.97 24.37 1.01 o
7 3 0 98.67 93.74 0.95 o
8 3 0 120.61 115.03 1.09 o
-10 4 0 96.58 114.00 1.43 o
-9 4 0 123.90 128.09 1.07 o
-8 4 0 36.62 39.86 0.75 o
-7 4 0 5.80 4.61 0.41 o
-6 4 0 0.23 0.71 0.51 o
-5 4 0 7.25 6.68 0.49 o
-4 4 0 17.20 27.01 0.87 o
-3 4 0 45.13 47.84 0.74 o
-2 4 0 12.33 10.91 0.56 o
-1 4 0 108.72 104.98 1.22 o
0 4 0 29.07 27.84 0.69 o
1 4 0 15.43 17.14 1.20 o
2 4 0 12.49 12.94 0.83 o
3 4 0 14.44 17.65 0.96 o
4 4 0 20.26 19.52 0.91 o
5 4 0 0.91 0.74 0.41 o
6 4 0 89.06 87.06 1.10 o
7 4 0 57.07 48.75 0.84 o
8 4 0 40.85 48.16 0.72 o
-10 5 0 15.38 15.80 0.91 o
-9 5 0 40.91 49.84 1.03 o
-8 5 0 0.60 1.22 0.34 o
-7 5 0 8.92 9.95 0.48 o
-6 5 0 99.58 93.30 0.94 o
-5 5 0 75.54 75.52 1.52 o
-4 5 0 35.06 30.65 0.81 o
-3 5 0 240.09 239.48 2.90 o
-2 5 0 0.40 0.39 0.45 o
-1 5 0 1971.82 2083.45 19.67 o
0 5 0 837.41 871.94 8.82 o
1 5 0 56.28 55.65 1.46 o
2 5 0 53.08 46.31 1.81 o
3 5 0 39.11 32.37 1.42 o
4 5 0 55.49 56.28 0.79 o
5 5 0 83.39 79.85 0.95 o
6 5 0 12.48 12.87 0.93 o
7 5 0 27.65 27.95 0.72 o
-9 6 0 192.89 202.50 1.74 o
-8 6 0 9.02 11.22 0.89 o
-7 6 0 65.61 57.76 0.79 o
-6 6 0 122.90 113.93 1.04 o
-5 6 0 19.87 18.62 0.53 o
-4 6 0 115.38 107.04 2.08 o
-3 6 0 12.02 10.38 0.69 o
-2 6 0 83.75 76.53 1.58 o
-1 6 0 0.76 2.20 1.04 o
0 6 0 197.01 190.02 3.23 o
2 6 0 15.61 16.56 0.74 o
3 6 0 60.36 58.66 0.81 o
4 6 0 7.96 6.96 0.56 o
5 6 0 9.25 9.52 0.43 o
6 6 0 28.02 26.20 0.66 o
-9 7 0 6.51 4.02 0.44 o
-8 7 0 2.95 2.22 0.45 o
-7 7 0 0.13 0.25 0.41 o
-6 7 0 202.27 204.72 1.54 o
-5 7 0 2.20 1.84 0.39 o
-4 7 0 108.18 108.95 1.07 o
-3 7 0 68.07 66.29 0.89 o
-2 7 0 18.29 17.39 1.21 o
-1 7 0 110.12 111.80 1.28 o
0 7 0 39.11 37.41 0.80 o
1 7 0 5.15 5.47 0.43 o
2 7 0 4.01 3.04 0.38 o
3 7 0 23.21 23.50 0.65 o
4 7 0 12.50 12.50 0.46 o
5 7 0 36.67 38.45 1.13 o
6 7 0 1.01 0.13 0.52 o
-8 8 0 43.30 47.68 0.67 o
-7 8 0 64.30 64.25 1.14 o
-6 8 0 292.01 298.34 3.55 o
-5 8 0 406.56 412.71 2.92 o
-4 8 0 175.39 178.75 1.42 o
-3 8 0 328.81 332.45 2.76 o
-2 8 0 23.55 20.95 0.56 o
-1 8 0 147.38 141.10 1.20 o
0 8 0 124.74 123.28 1.08 o
1 8 0 83.91 89.53 1.11 o
2 8 0 0.50 0.25 0.40 o
3 8 0 4.50 5.03 0.61 o
4 8 0 15.55 16.43 0.54 o
-7 9 0 21.66 21.71 0.72 o
-6 9 0 1.52 1.51 0.49 o
-5 9 0 31.85 32.82 0.93 o
-4 9 0 20.44 18.78 0.52 o
-3 9 0 8.79 9.74 0.49 o
-2 9 0 64.12 65.36 1.06 o
-1 9 0 47.56 48.23 0.84 o
0 9 0 7.97 8.86 0.44 o
1 9 0 0.39 0.09 0.40 o
2 9 0 127.55 129.68 1.23 o
3 9 0 0.75 0.40 0.34 o
-6 10 0 71.95 79.37 1.03 o
-5 10 0 66.13 65.31 1.48 o
-4 10 0 73.60 81.96 1.10 o
-3 10 0 16.07 17.09 0.60 o
-2 10 0 4.76 5.47 0.74 o
-1 10 0 35.94 40.17 1.20 o
0 10 0 15.49 14.76 0.48 o
1 10 0 25.56 28.13 0.58 o
1 -11 1 0.19 -0.41 0.45 o
2 -11 1 21.11 18.47 0.72 o
3 -11 1 2.39 3.24 1.36 o
4 -11 1 0.08 -0.26 0.52 o
-2 -10 1 1.49 2.43 0.38 o
-1 -10 1 0.49 -0.12 0.33 o
0 -10 1 5.69 7.53 0.58 o
1 -10 1 4.46 4.33 0.41 o
2 -10 1 27.46 28.76 0.67 o
3 -10 1 0.61 0.16 0.38 o
4 -10 1 11.56 13.75 0.52 o
5 -10 1 36.22 42.32 0.97 o
6 -10 1 12.87 13.98 0.78 o
-4 -9 1 21.91 21.91 0.62 o
-3 -9 1 93.66 100.31 0.96 o
-2 -9 1 37.56 35.81 0.62 o
-1 -9 1 115.40 124.22 1.11 o
0 -9 1 27.94 30.57 0.58 o
1 -9 1 1.04 0.94 0.34 o
2 -9 1 89.71 98.96 0.91 o
3 -9 1 20.00 20.58 0.46 o
4 -9 1 68.69 71.36 0.81 o
5 -9 1 20.98 22.36 0.58 o
6 -9 1 61.11 63.03 1.00 o
7 -9 1 9.93 10.21 0.56 o
-5 -8 1 22.85 24.93 0.72 o
-4 -8 1 30.10 30.62 0.58 o
-3 -8 1 7.75 7.42 0.41 o
-2 -8 1 1.74 1.25 0.34 o
-1 -8 1 6.99 6.33 0.47 o
0 -8 1 10.41 9.35 0.46 o
1 -8 1 0.25 0.76 0.39 o
2 -8 1 33.94 33.44 0.70 o
3 -8 1 11.69 9.42 0.40 o
4 -8 1 130.80 135.11 1.21 o
5 -8 1 154.91 151.93 1.28 o
6 -8 1 46.38 46.35 0.64 o
7 -8 1 33.57 33.36 0.66 o
8 -8 1 10.69 11.40 1.07 o
-6 -7 1 22.98 26.54 0.91 o
-5 -7 1 7.69 8.88 0.38 o
-4 -7 1 191.19 195.52 1.32 o
-3 -7 1 454.41 439.95 2.57 o
-2 -7 1 244.04 249.52 1.82 o
-1 -7 1 493.43 487.52 4.42 o
0 -7 1 282.59 277.79 2.22 o
1 -7 1 69.59 73.65 1.36 o
2 -7 1 615.91 606.52 5.53 o
3 -7 1 99.05 101.84 1.22 o
4 -7 1 126.58 122.87 1.28 o
5 -7 1 199.66 197.17 1.50 o
6 -7 1 13.16 14.79 0.42 o
7 -7 1 294.65 298.86 2.06 o
8 -7 1 184.71 178.67 1.21 o
9 -7 1 9.08 10.01 1.88 o
-7 -6 1 49.46 49.20 1.04 o
-6 -6 1 95.37 92.04 1.01 o
-5 -6 1 15.99 17.82 0.63 o
-4 -6 1 157.25 153.30 1.18 o
-3 -6 1 77.89 76.88 0.93 o
-2 -6 1 52.50 50.11 1.68 o
-1 -6 1 345.05 315.65 6.47 o
0 -6 1 12.19 17.02 1.03 o
1 -6 1 37.53 37.17 1.17 o
2 -6 1 68.42 56.65 0.99 o
3 -6 1 80.36 75.77 1.27 o
4 -6 1 988.18 988.93 8.51 o
5 -6 1 124.72 124.69 1.12 o
6 -6 1 21.40 19.92 0.55 o
7 -6 1 131.70 125.45 1.12 o
8 -6 1 16.25 12.53 0.38 o
9 -6 1 42.11 43.02 1.42 o
-7 -5 1 24.89 23.52 0.55 o
-6 -5 1 0.32 2.47 0.39 o
-5 -5 1 0.28 4.25 0.39 o
-4 -5 1 2.39 1.43 0.41 o
-2 -5 1 68.43 69.50 1.54 o
-1 -5 1 109.27 116.86 1.90 o
0 -5 1 0.12 1.53 0.43 o
1 -5 1 6.24 4.12 0.51 o
2 -5 1 207.61 199.87 1.98 o
3 -5 1 97.22 109.53 1.31 o
4 -5 1 0.63 2.94 0.59 o
5 -5 1 108.54 105.42 1.85 o
6 -5 1 0.58 0.82 0.35 o
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8 -5 1 182.58 173.58 1.36 o
9 -5 1 12.52 11.92 0.45 o
-8 -4 1 1.29 1.64 0.40 o
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-5 -4 1 25.56 25.32 0.65 o
-4 -4 1 507.84 492.18 5.42 o
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-2 -4 1 545.55 596.27 5.26 o
-1 -4 1 325.36 320.14 2.39 o
0 -4 1 189.31 216.95 1.54 o
1 -4 1 56.23 50.85 0.71 o
2 -4 1 366.51 361.98 2.52 o
3 -4 1 32.99 40.11 0.75 o
4 -4 1 1092.26 1113.85 7.74 o
5 -4 1 724.42 736.05 5.81 o
6 -4 1 0.21 0.24 0.37 o
7 -4 1 378.60 352.09 2.33 o
8 -4 1 191.43 168.01 1.38 o
9 -4 1 15.74 18.47 0.52 o
10 -4 1 65.83 74.06 1.94 o
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-6 -3 1 3.87 3.38 0.44 o
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-4 -3 1 286.02 289.35 2.69 o
-3 -3 1 521.52 595.43 5.23 o
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0 -3 1 139.63 134.44 0.93 o
1 -3 1 216.24 220.29 1.44 o
2 -3 1 0.26 0.58 0.37 o
3 -3 1 2481.67 2705.73 16.35 o
4 -3 1 534.55 638.00 4.64 o
5 -3 1 10.66 11.30 0.61 o
6 -3 1 0.01 0.32 0.68 o
7 -3 1 32.09 25.91 0.76 o
8 -3 1 135.36 132.72 1.15 o
9 -3 1 0.01 -0.29 0.37 o
-9 -2 1 15.88 13.66 0.91 o
-8 -2 1 3.35 4.46 0.39 o
-7 -2 1 212.39 203.61 1.70 o
-6 -2 1 111.92 103.29 1.52 o
-5 -2 1 7.24 4.73 1.18 o
-4 -2 1 248.88 236.83 2.40 o
-3 -2 1 562.67 632.32 4.39 o
-2 -2 1 1548.20 1618.18 9.79 o
-1 -2 1 841.89 901.52 4.43 o
0 -2 1 0.03 -0.22 0.22 o
1 -2 1 1078.45 1121.82 5.82 o
2 -2 1 1476.82 1523.23 7.79 o
3 -2 1 1.79 1.85 0.29 o
4 -2 1 24.90 14.20 0.46 o
5 -2 1 144.68 126.04 1.58 o
6 -2 1 86.53 80.60 1.75 o
7 -2 1 986.19 926.16 5.37 o
8 -2 1 66.93 63.81 0.80 o
9 -2 1 11.96 11.27 1.62 o
10 -2 1 202.27 236.81 3.11 o
-9 -1 1 8.61 8.51 0.42 o
-8 -1 1 135.84 136.74 1.26 o
-7 -1 1 972.33 943.00 6.03 o
-6 -1 1 106.57 97.09 2.14 o
-5 -1 1 320.41 289.99 2.78 o
-4 -1 1 47.56 31.71 0.75 o
-3 -1 1 598.10 651.49 4.81 o
-2 -1 1 461.03 477.50 2.87 o
-1 -1 1 1428.46 1416.64 7.60 o
0 -1 1 58.62 58.51 0.40 o
1 -1 1 2160.14 2087.32 11.04 o
2 -1 1 117.31 128.57 0.82 o
3 -1 1 795.21 836.55 4.73 o
4 -1 1 726.84 745.95 5.42 o
5 -1 1 327.45 323.83 3.02 o
6 -1 1 4.75 3.59 0.67 o
7 -1 1 50.40 46.15 0.82 o
8 -1 1 13.49 13.39 0.63 o
9 -1 1 10.17 10.17 0.46 o
-10 0 1 32.41 40.14 0.91 o
-9 0 1 35.01 35.02 1.08 o
-8 0 1 2.58 2.62 0.43 o
-7 0 1 28.58 28.05 0.75 o
-6 0 1 49.07 48.93 1.32 o
-5 0 1 147.16 149.10 1.73 o
-4 0 1 130.87 147.96 1.41 o
-3 0 1 24.10 22.98 0.63 o
-2 0 1 1498.67 1521.76 9.75 o
-1 0 1 383.76 391.88 3.30 o
0 0 1 134.52 133.29 0.96 o
1 0 1 74.05 72.63 0.50 o
2 0 1 1578.73 1631.19 8.49 o
3 0 1 59.45 57.07 0.67 o
4 0 1 23.54 33.41 0.94 o
5 0 1 6.21 11.23 0.68 o
6 0 1 1410.72 1369.76 14.82 o
7 0 1 626.03 614.40 4.68 o
8 0 1 19.45 16.13 1.55 o
9 0 1 29.46 33.12 0.78 o
-10 1 1 123.53 129.21 2.07 o
-9 1 1 103.34 100.91 1.33 o
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-7 1 1 2411.95 2294.26 15.67 o
-6 1 1 817.44 798.12 7.35 o
-5 1 1 122.26 98.96 1.53 o
-4 1 1 329.95 319.86 2.46 o
-3 1 1 5.55 6.32 0.33 o
-2 1 1 4666.99 4884.49 36.05 o
-1 1 1 190.39 204.54 1.41 o
0 1 1 26.64 27.99 0.56 o
1 1 1 4072.65 4189.75 26.66 o
2 1 1 1143.41 1189.07 6.98 o
3 1 1 136.95 128.37 1.18 o
4 1 1 759.43 748.80 6.92 o
5 1 1 39.82 41.01 1.52 o
6 1 1 48.31 43.96 2.07 o
7 1 1 406.10 399.22 3.19 o
8 1 1 19.26 17.17 0.64 o
9 1 1 74.86 76.36 0.99 o
-10 2 1 112.88 122.62 2.98 o
-9 2 1 4.21 4.98 0.54 o
-8 2 1 243.61 230.95 1.82 o
-7 2 1 106.72 103.16 1.32 o
-6 2 1 0.04 0.28 0.62 o
-5 2 1 628.72 648.31 6.07 o
-4 2 1 405.79 372.98 2.80 o
-3 2 1 324.98 352.46 2.66 o
-2 2 1 1126.86 1160.85 7.00 o
-1 2 1 5086.82 5164.15 31.05 o
0 2 1 3185.94 3266.81 19.32 o
1 2 1 662.66 682.56 4.68 o
2 2 1 189.45 196.81 1.78 o
3 2 1 183.14 174.86 2.15 o
4 2 1 689.53 727.68 7.59 o
5 2 1 8.20 8.76 2.33 o
6 2 1 72.77 70.94 2.40 o
7 2 1 98.30 97.88 2.40 o
8 2 1 6.71 6.73 1.23 o
9 2 1 6.88 6.73 0.65 o
-10 3 1 22.14 27.06 1.36 o
-9 3 1 13.36 11.73 0.66 o
-8 3 1 51.36 47.54 0.80 o
-7 3 1 378.63 372.36 3.23 o
-6 3 1 45.59 42.31 0.90 o
-5 3 1 105.91 117.62 1.71 o
-4 3 1 94.27 105.11 1.19 o
-3 3 1 552.79 567.22 3.82 o
-2 3 1 1480.58 1566.41 9.94 o
-1 3 1 968.99 1029.09 7.23 o
0 3 1 468.47 495.74 3.64 o
1 3 1 1214.42 1280.94 8.81 o
2 3 1 1569.34 1659.16 12.56 o
3 3 1 0.85 1.18 0.52 o
4 3 1 309.87 312.81 6.73 o
5 3 1 39.21 36.74 1.06 o
6 3 1 229.45 216.99 2.59 o
7 3 1 133.53 142.42 1.64 o
8 3 1 2.97 1.37 0.65 o
-10 4 1 135.13 139.07 1.73 o
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0 4 1 379.08 388.64 4.28 o
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-10 5 1 29.97 31.08 0.87 o
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-3 5 1 9.69 11.88 1.15 o
-2 5 1 511.66 545.66 7.92 o
-1 5 1 1.21 0.95 1.10 o
0 5 1 701.77 732.10 7.56 o
1 5 1 0.21 -0.39 0.61 o
3 5 1 106.05 101.99 1.19 o
4 5 1 0.24 0.71 0.55 o
5 5 1 3.64 4.04 0.38 o
6 5 1 41.17 43.22 1.36 o
7 5 1 28.03 32.10 0.72 o
-9 6 1 0.84 0.35 0.36 o
-8 6 1 153.83 153.78 1.56 o
-7 6 1 147.96 147.69 1.72 o
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-3 6 1 244.34 248.17 3.61 o
-2 6 1 372.20 373.66 6.47 o
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0 6 1 165.00 167.93 4.79 o
1 6 1 281.16 268.97 3.39 o
2 6 1 193.98 188.14 1.42 o
3 6 1 10.61 10.17 0.57 o
4 6 1 43.17 42.49 0.85 o
5 6 1 0.91 1.25 0.50 o
6 6 1 33.39 37.76 0.69 o
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0 7 1 95.40 94.00 1.27 o
1 7 1 58.90 60.47 1.08 o
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3 7 1 34.54 39.34 1.18 o
4 7 1 0.02 0.21 0.51 o
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