#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:05:18 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181904 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/04/2240492.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_2240492
_cell_angle_alpha                67.206
_cell_angle_beta                 71.670
_cell_angle_gamma                75.195
_cell_length_a                   8.7602
_cell_length_b                   9.1784
_cell_length_c                   9.2032
_exptl_crystal_F_000             260.00
_reflns_d_resolution_high        0.8023
_cod_data_source_file            hb7286Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' pow1 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            111.03
_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 1597.23 1467.99 14.86 o
2 0 0 266.28 256.95 2.73 o
3 0 0 288.52 301.87 3.62 o
4 0 0 3.88 7.67 0.32 o
5 0 0 43.40 46.00 0.76 o
6 0 0 571.03 548.78 7.12 o
7 0 0 1134.64 1103.76 15.25 o
8 0 0 437.84 438.15 6.47 o
9 0 0 34.18 32.32 1.06 o
10 0 0 15.68 17.02 0.92 o
-10 1 0 8.01 9.89 0.86 o
-9 1 0 16.14 15.97 0.75 o
-8 1 0 74.49 71.71 1.67 o
-7 1 0 255.48 248.32 3.84 o
-6 1 0 4.08 5.09 0.30 o
-5 1 0 0.04 0.00 0.09 o
-4 1 0 8.14 7.63 0.27 o
-3 1 0 49.53 46.14 0.71 o
-2 1 0 83.72 77.13 1.51 o
-1 1 0 1376.42 1308.89 11.55 o
0 1 0 310.32 289.16 6.34 o
1 1 0 443.24 433.46 4.42 o
2 1 0 557.57 528.77 5.69 o
3 1 0 60.13 54.39 0.75 o
4 1 0 400.34 400.20 5.48 o
5 1 0 147.76 139.07 1.87 o
6 1 0 2.42 1.71 0.18 o
7 1 0 0.27 0.18 0.10 o
8 1 0 1.29 0.87 0.31 o
9 1 0 3.71 4.18 0.43 o
10 1 0 14.58 15.06 0.87 o
-9 2 0 74.62 73.42 1.78 o
-8 2 0 211.74 211.75 3.88 o
-7 2 0 339.34 350.63 7.64 o
-6 2 0 36.98 34.14 0.76 o
-5 2 0 127.99 116.43 1.64 o
-4 2 0 128.03 133.50 2.12 o
-3 2 0 142.25 141.33 1.67 o
-2 2 0 838.46 836.91 7.89 o
-1 2 0 6755.82 6540.54 62.88 o
0 2 0 4264.30 4061.00 119.67 o
1 2 0 411.52 388.09 4.17 o
2 2 0 16.97 15.96 0.26 o
3 2 0 144.58 141.89 1.47 o
4 2 0 46.82 52.49 1.05 o
5 2 0 0.25 1.37 0.14 o
6 2 0 1606.03 1556.25 18.12 o
7 2 0 188.75 187.23 2.74 o
8 2 0 12.75 13.07 0.48 o
9 2 0 11.66 11.22 0.60 o
10 2 0 6.97 7.31 0.65 o
-9 3 0 20.29 21.78 1.16 o
-8 3 0 174.03 172.27 3.30 o
-7 3 0 287.87 292.24 5.97 o
-6 3 0 186.56 184.25 2.92 o
-5 3 0 4.74 5.26 0.26 o
-4 3 0 104.98 98.02 1.51 o
-3 3 0 229.49 247.42 2.83 o
-2 3 0 30.08 37.45 0.61 o
-1 3 0 1366.34 1420.68 14.41 o
0 3 0 8.72 12.10 0.51 o
1 3 0 88.07 87.72 1.10 o
2 3 0 309.13 307.57 3.34 o
3 3 0 64.10 64.71 0.84 o
4 3 0 13.70 12.84 0.30 o
5 3 0 7.07 7.05 0.25 o
6 3 0 75.18 74.32 1.17 o
7 3 0 2.85 2.74 0.26 o
8 3 0 20.58 19.89 0.65 o
9 3 0 7.65 8.41 0.54 o
10 3 0 0.02 0.04 0.24 o
-8 4 0 16.20 16.85 0.77 o
-7 4 0 15.62 14.63 0.67 o
-6 4 0 6.76 7.09 0.41 o
-5 4 0 11.41 11.43 0.45 o
-4 4 0 1.57 4.72 0.24 o
-3 4 0 3.97 2.70 0.15 o
-2 4 0 0.48 0.68 0.06 o
-1 4 0 288.77 319.16 4.09 o
0 4 0 99.53 95.34 1.68 o
1 4 0 31.78 30.93 0.48 o
2 4 0 148.88 154.68 1.84 o
3 4 0 634.82 651.89 6.63 o
4 4 0 0.65 2.66 0.24 o
5 4 0 138.71 130.72 1.98 o
6 4 0 6.72 7.14 0.32 o
7 4 0 1.28 1.16 0.22 o
8 4 0 0.09 0.69 0.20 o
9 4 0 0.90 0.67 0.28 o
10 4 0 18.83 22.25 1.31 o
-8 5 0 1.33 1.16 0.41 o
-7 5 0 9.92 9.54 0.66 o
-6 5 0 14.19 12.50 0.52 o
-5 5 0 0.03 0.73 0.19 o
-4 5 0 238.40 230.55 3.17 o
-3 5 0 36.83 39.75 0.81 o
-2 5 0 8.36 9.36 0.23 o
-1 5 0 60.09 63.04 1.24 o
0 5 0 376.02 367.00 6.67 o
1 5 0 56.55 53.60 1.26 o
2 5 0 3.74 3.95 0.18 o
3 5 0 171.85 179.16 2.06 o
4 5 0 20.21 23.78 0.45 o
5 5 0 7.78 8.07 0.30 o
6 5 0 2.25 2.97 0.27 o
7 5 0 28.31 26.71 0.87 o
8 5 0 77.14 77.18 1.82 o
9 5 0 6.99 6.79 0.55 o
-7 6 0 1.37 0.86 0.30 o
-6 6 0 1.01 5.54 0.96 o
-5 6 0 25.18 23.40 0.88 o
-4 6 0 163.53 160.03 2.56 o
-3 6 0 42.56 68.73 2.98 o
-2 6 0 37.24 32.15 0.72 o
-1 6 0 83.76 82.56 1.05 o
0 6 0 33.20 56.54 2.86 o
1 6 0 26.72 26.58 0.77 o
2 6 0 41.11 40.87 0.70 o
3 6 0 100.24 115.88 1.89 o
4 6 0 62.31 62.78 1.35 o
5 6 0 3.65 3.22 0.20 o
6 6 0 68.70 66.12 1.49 o
7 6 0 7.36 6.88 0.49 o
8 6 0 19.89 19.61 0.84 o
9 6 0 62.25 71.45 2.10 o
-6 7 0 0.20 0.19 0.29 o
-5 7 0 84.38 73.95 2.19 o
-4 7 0 490.82 474.42 8.79 o
-3 7 0 4.34 4.03 0.43 o
-2 7 0 20.75 21.75 0.65 o
-1 7 0 203.71 199.81 2.76 o
0 7 0 136.58 150.88 4.62 o
1 7 0 40.36 38.90 1.04 o
2 7 0 514.41 521.74 7.35 o
3 7 0 195.87 208.95 3.17 o
4 7 0 46.18 48.61 0.83 o
5 7 0 0.29 0.22 0.18 o
6 7 0 28.48 28.96 1.04 o
7 7 0 10.45 11.19 0.69 o
8 7 0 5.11 5.21 0.58 o
-5 8 0 1.43 0.96 0.48 o
-3 8 0 4.55 3.94 0.46 o
-2 8 0 3.15 2.31 0.23 o
-1 8 0 0.35 0.34 0.09 o
0 8 0 36.00 41.09 1.80 o
1 8 0 124.41 123.67 2.65 o
2 8 0 95.04 92.15 1.82 o
3 8 0 37.96 39.99 0.97 o
4 8 0 7.88 7.89 0.49 o
5 8 0 0.24 0.20 0.19 o
6 8 0 3.18 2.61 0.38 o
7 8 0 4.16 4.42 0.48 o
-3 9 0 4.24 8.46 1.32 o
-2 9 0 3.23 3.64 0.24 o
-1 9 0 6.38 4.67 0.24 o
0 9 0 14.17 14.80 1.44 o
1 9 0 33.03 33.09 2.29 o
2 9 0 300.32 263.64 10.23 o
3 9 0 3.60 5.08 0.36 o
4 9 0 0.87 0.96 0.32 o
5 9 0 16.98 14.63 0.91 o
6 9 0 26.76 28.76 1.38 o
-1 10 0 7.28 7.37 0.45 o
0 10 0 6.78 7.10 1.20 o
1 10 0 0.16 0.60 0.60 o
2 10 0 6.95 7.94 1.20 o
3 10 0 7.80 7.80 0.36 o
4 10 0 2.94 3.71 0.43 o
-2 -10 1 30.33 28.91 2.11 o
-1 -10 1 0.15 0.58 0.24 o
0 -10 1 0.50 0.34 0.12 o
-5 -9 1 0.87 0.53 0.48 o
-4 -9 1 0.70 0.62 0.31 o
-3 -9 1 22.47 22.26 1.08 o
-2 -9 1 202.57 197.79 3.96 o
-1 -9 1 3.94 3.69 0.30 o
0 -9 1 25.84 24.45 0.90 o
1 -9 1 16.91 15.96 0.46 o
2 -9 1 16.30 17.25 0.62 o
3 -9 1 12.07 9.07 0.58 o
-7 -8 1 0.42 0.57 0.27 o
-6 -8 1 2.69 3.29 0.42 o
-5 -8 1 9.29 9.63 1.99 o
-4 -8 1 0.17 0.16 0.25 o
-3 -8 1 3.84 4.10 0.49 o
-2 -8 1 42.61 40.78 0.94 o
-1 -8 1 39.69 39.06 0.89 o
0 -8 1 38.54 37.62 0.75 o
1 -8 1 69.12 66.84 1.13 o
2 -8 1 0.32 0.27 0.12 o
3 -8 1 1.31 1.30 0.29 o
4 -8 1 14.66 12.27 1.20 o
5 -8 1 23.36 21.54 1.56 o
-8 -7 1 0.47 0.53 0.32 o
-7 -7 1 0.76 1.31 0.37 o
-6 -7 1 3.94 4.10 0.44 o
-5 -7 1 38.70 35.60 1.47 o
-4 -7 1 5.28 6.73 0.52 o
-3 -7 1 65.07 65.62 1.70 o
-2 -7 1 21.80 20.13 0.60 o
-1 -7 1 15.95 15.93 0.48 o
0 -7 1 48.08 50.02 0.91 o
1 -7 1 79.64 80.79 1.30 o
2 -7 1 42.43 41.42 0.85 o
3 -7 1 20.55 20.35 0.62 o
4 -7 1 10.14 10.73 0.54 o
5 -7 1 31.69 30.56 1.16 o
6 -7 1 10.75 12.22 0.90 o
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-7 -6 1 49.25 46.30 1.47 o
-6 -6 1 33.89 33.37 0.98 o
-5 -6 1 265.80 270.66 4.63 o
-4 -6 1 93.58 93.64 1.45 o
-3 -6 1 105.02 108.26 1.57 o
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0 -6 1 15.30 14.77 0.28 o
1 -6 1 19.58 20.06 0.34 o
2 -6 1 205.95 212.50 2.88 o
3 -6 1 254.78 247.09 3.02 o
4 -6 1 5.19 4.69 0.35 o
5 -6 1 29.81 28.20 1.02 o
6 -6 1 38.89 38.11 2.53 o
7 -6 1 17.71 20.55 1.13 o
-9 -5 1 10.11 9.93 0.66 o
-8 -5 1 22.71 23.29 0.89 o
-7 -5 1 94.26 92.46 2.03 o
-6 -5 1 70.19 70.39 1.57 o
-5 -5 1 45.06 43.46 0.97 o
-4 -5 1 1.44 1.41 0.09 o
-3 -5 1 9.48 10.65 0.35 o
-2 -5 1 2.72 3.68 0.13 o
-1 -5 1 0.36 0.50 0.08 o
0 -5 1 2.90 2.51 0.11 o
1 -5 1 170.88 177.60 2.04 o
2 -5 1 240.23 253.30 3.07 o
3 -5 1 41.90 41.16 0.72 o
4 -5 1 42.21 36.39 0.67 o
5 -5 1 2.40 2.05 0.36 o
6 -5 1 13.96 13.93 0.66 o
7 -5 1 15.86 15.30 1.32 o
8 -5 1 122.95 125.98 3.94 o
-9 -4 1 41.28 42.58 1.12 o
-8 -4 1 77.54 74.43 1.77 o
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-6 -4 1 2060.30 2037.58 28.17 o
-5 -4 1 225.57 226.52 3.44 o
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-3 -4 1 39.50 46.28 0.69 o
-2 -4 1 6.60 4.34 0.15 o
-1 -4 1 13.05 15.92 0.24 o
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1 -4 1 4424.75 4505.21 43.84 o
2 -4 1 2500.76 2620.18 27.03 o
3 -4 1 36.23 42.29 0.65 o
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3 -3 1 0.00 0.07 0.06 o
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9 -3 1 0.65 0.61 0.30 o
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3 -2 1 59.70 68.51 0.84 o
4 -2 1 59.08 58.75 1.10 o
5 -2 1 36.54 35.51 0.93 o
6 -2 1 62.43 59.32 1.10 o
7 -2 1 791.56 773.16 16.45 o
8 -2 1 904.40 905.32 14.17 o
9 -2 1 20.55 21.39 0.87 o
-10 -1 1 14.56 13.49 0.91 o
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-8 -1 1 14.86 16.28 0.63 o
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-6 -1 1 159.34 156.31 2.31 o
-5 -1 1 27.19 28.37 0.63 o
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-3 -1 1 501.21 483.16 6.82 o
-2 -1 1 68.42 61.66 0.67 o
-1 -1 1 100.20 97.49 0.97 o
0 -1 1 1099.81 1057.74 9.76 o
1 -1 1 549.46 533.68 5.06 o
2 -1 1 46.86 44.50 0.52 o
3 -1 1 92.05 81.39 0.97 o
4 -1 1 29.73 24.66 0.69 o
5 -1 1 5.54 4.01 0.24 o
6 -1 1 3.27 3.23 0.37 o
7 -1 1 204.41 201.83 3.59 o
8 -1 1 24.60 26.32 0.97 o
9 -1 1 6.07 6.56 0.53 o
10 -1 1 24.13 23.66 0.95 o
-9 0 1 0.26 0.13 0.25 o
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-7 0 1 466.47 455.62 6.63 o
-6 0 1 1.84 1.75 0.21 o
-5 0 1 0.17 0.82 0.16 o
-4 0 1 1.65 3.56 0.17 o
-3 0 1 141.07 144.69 2.30 o
-2 0 1 23.38 23.12 0.31 o
-1 0 1 1592.41 1522.34 14.83 o
0 0 1 678.12 631.23 5.54 o
1 0 1 1394.13 1324.27 17.11 o
2 0 1 837.07 801.97 8.14 o
3 0 1 150.89 144.20 1.85 o
4 0 1 33.74 30.81 0.46 o
5 0 1 106.42 115.60 1.60 o
6 0 1 101.19 89.71 1.59 o
7 0 1 366.30 354.73 5.73 o
8 0 1 0.93 0.47 0.23 o
9 0 1 33.21 33.10 1.48 o
10 0 1 0.48 0.62 0.33 o
-9 1 1 6.44 6.68 0.54 o
-8 1 1 88.03 88.21 2.56 o
-7 1 1 207.37 197.21 3.51 o
-6 1 1 56.96 53.06 1.11 o
-5 1 1 2.40 3.31 0.24 o
-4 1 1 1.43 0.62 0.12 o
-3 1 1 34.54 33.95 0.57 o
-2 1 1 288.48 279.51 3.29 o
-1 1 1 0.01 0.06 0.04 o
0 1 1 1529.84 1418.38 11.02 o
1 1 1 14.83 16.65 0.22 o
2 1 1 2465.72 2316.39 27.11 o
3 1 1 504.29 494.40 5.65 o
4 1 1 9.59 9.66 0.31 o
5 1 1 197.09 211.80 3.26 o
6 1 1 57.19 53.99 1.08 o
7 1 1 7.50 7.16 0.37 o
8 1 1 13.81 14.17 0.55 o
9 1 1 0.48 0.34 0.21 o
10 1 1 1.55 1.71 0.41 o
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-3 2 1 77.51 80.60 1.03 o
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-1 2 1 532.01 520.89 5.27 o
0 2 1 829.89 761.88 6.98 o
1 2 1 58.61 55.38 0.64 o
2 2 1 18.70 15.93 0.25 o
3 2 1 293.07 286.34 2.83 o
4 2 1 116.58 128.57 1.84 o
5 2 1 19.56 26.75 0.60 o
6 2 1 64.63 66.74 1.26 o
7 2 1 27.58 26.42 0.63 o
8 2 1 59.66 58.60 1.12 o
9 2 1 38.68 40.79 1.15 o
10 2 1 12.32 15.45 0.83 o
-9 3 1 3.71 3.15 0.44 o
-8 3 1 0.13 -0.07 0.23 o
-7 3 1 102.58 102.69 2.15 o
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-5 3 1 0.24 0.10 0.10 o
-4 3 1 232.03 239.58 3.27 o
-3 3 1 570.32 607.39 6.62 o
-2 3 1 230.13 231.49 2.58 o
-1 3 1 0.01 -0.03 0.04 o
0 3 1 756.24 707.22 7.55 o
1 3 1 60.69 62.71 0.71 o
2 3 1 529.70 512.03 5.49 o
3 3 1 565.86 583.01 6.30 o
4 3 1 567.35 636.70 7.25 o
5 3 1 251.67 256.89 3.18 o
6 3 1 3.80 4.96 0.28 o
7 3 1 6.65 5.76 0.30 o
8 3 1 14.89 16.08 0.55 o
9 3 1 11.56 11.74 0.53 o
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-6 4 1 7.30 7.15 0.41 o
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3 6 1 0.21 0.37 0.06 o
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6 6 1 35.77 33.44 1.07 o
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0 7 1 1.22 1.37 0.26 o
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4 7 10 22.11 22.00 1.05 o
5 7 10 4.26 3.59 1.05 o
6 7 10 0.12 0.36 0.30 o
7 7 10 59.74 58.68 1.92 o
1 8 10 0.60 1.05 0.34 o
2 8 10 3.34 4.72 0.69 o
3 8 10 0.53 0.03 0.42 o
4 8 10 1.96 1.96 0.43 o
5 8 10 28.49 29.42 1.32 o
6 8 10 33.10 50.66 1.73 o
4 9 10 17.06 13.11 1.38 o
2 2 11 30.57 36.82 1.99 o
3 2 11 3.61 3.68 0.68 o
4 2 11 6.13 5.41 0.80 o
1 3 11 72.63 79.33 2.76 o
2 3 11 3.75 3.36 0.60 o
3 3 11 7.99 8.23 0.84 o
4 3 11 17.40 15.25 1.10 o
5 3 11 8.66 8.73 0.85 o
1 4 11 57.20 77.90 3.31 o
2 4 11 102.38 120.52 3.65 o
3 4 11 85.03 89.28 2.93 o
4 4 11 0.06 -0.18 0.34 o
5 4 11 12.40 13.49 1.01 o
6 4 11 0.68 -0.12 0.42 o
1 5 11 50.54 65.57 2.41 o
2 5 11 1.97 0.75 0.49 o
3 5 11 4.79 4.51 0.59 o
4 5 11 18.90 22.78 1.41 o
5 5 11 0.78 0.48 0.43 o
6 5 11 0.37 0.42 0.34 o
2 6 11 0.04 -0.27 0.27 o
3 6 11 0.63 -0.16 0.27 o
4 6 11 4.24 5.64 0.67 o
5 6 11 1.35 1.43 0.43 o
3 7 11 9.19 12.42 1.42 o
4 7 11 1.12 1.11 0.43 o