#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:45:48 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181878 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/59/2105974.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_2105974
_cell_angle_alpha                113.376
_cell_angle_beta                 104.250
_cell_angle_gamma                103.472
_cell_length_a                   8.1895
_cell_length_b                   9.8902
_cell_length_c                   10.6709
_exptl_crystal_F_000             360.00
_reflns_d_resolution_high        0.8111
_cod_data_source_file            eb5032tpr375sup2.hkl
_cod_data_source_block           tpr375
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' tpr375 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            228.55
_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 0.29 -0.16 0.16 o
2 0 0 2328.98 2338.77 56.34 o
3 0 0 5.69 5.87 0.18 o
4 0 0 744.46 938.95 15.62 o
5 0 0 1.67 1.36 0.12 o
6 0 0 81.48 76.76 2.76 o
7 0 0 0.33 0.12 0.20 o
8 0 0 0.04 0.18 0.36 o
9 0 0 1.05 0.59 0.35 o
-9 1 0 46.25 46.88 1.53 o
-8 1 0 1.66 1.18 0.28 o
-7 1 0 1090.10 1124.16 23.75 o
-6 1 0 89.03 93.71 1.58 o
-5 1 0 372.26 364.20 5.45 o
-4 1 0 1358.75 1507.22 25.47 o
-3 1 0 71.32 64.25 1.04 o
-2 1 0 43.94 28.51 0.95 o
-1 1 0 236.04 214.61 3.17 o
0 1 0 0.70 -0.16 0.16 o
1 1 0 451.75 429.10 8.77 o
2 1 0 24.69 26.16 0.46 o
3 1 0 59.48 73.10 1.19 o
4 1 0 139.71 144.87 2.65 o
5 1 0 48.83 48.85 1.07 o
6 1 0 150.90 142.11 2.70 o
7 1 0 36.07 28.57 1.03 o
8 1 0 61.57 58.67 1.96 o
-9 2 0 3.12 3.23 0.41 o
-8 2 0 7.09 6.95 0.65 o
-7 2 0 31.99 37.47 0.95 o
-6 2 0 79.63 81.15 1.38 o
-5 2 0 138.20 152.92 2.39 o
-4 2 0 170.19 187.09 2.85 o
-3 2 0 882.41 923.75 13.48 o
-2 2 0 288.29 287.76 4.25 o
-1 2 0 3560.49 3217.44 80.23 o
0 2 0 2631.94 2394.47 34.98 o
1 2 0 2358.69 2450.38 41.47 o
2 2 0 1361.48 1476.01 24.94 o
3 2 0 201.49 189.97 3.40 o
4 2 0 40.96 48.01 1.07 o
5 2 0 39.53 40.27 1.57 o
6 2 0 30.89 31.86 0.85 o
7 2 0 8.27 6.85 0.51 o
8 2 0 5.46 4.21 0.63 o
-9 3 0 7.96 6.72 0.52 o
-8 3 0 2.21 2.83 0.28 o
-7 3 0 573.23 554.01 9.64 o
-6 3 0 272.04 279.31 11.10 o
-5 3 0 524.08 530.61 7.86 o
-4 3 0 535.46 580.94 8.55 o
-3 3 0 2535.01 2688.47 50.62 o
-2 3 0 990.50 991.28 14.48 o
-1 3 0 0.53 -0.11 0.11 o
0 3 0 888.81 890.48 13.00 o
1 3 0 2877.24 3129.46 102.18 o
2 3 0 483.56 524.81 9.02 o
3 3 0 511.36 513.04 8.88 o
4 3 0 287.13 310.70 5.51 o
5 3 0 546.11 509.60 10.66 o
6 3 0 7.80 8.03 0.41 o
7 3 0 2.20 2.16 0.36 o
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-4 4 0 4.12 4.79 0.25 o
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-1 4 0 1628.27 1756.13 25.56 o
0 4 0 211.77 210.55 3.18 o
1 4 0 101.21 103.72 1.95 o
2 4 0 158.16 157.78 2.89 o
3 4 0 40.17 34.72 0.84 o
4 4 0 129.23 128.47 2.77 o
5 4 0 0.65 0.55 0.18 o
6 4 0 84.02 85.47 1.86 o
7 4 0 2.39 2.10 0.39 o
-9 5 0 0.78 0.74 0.25 o
-8 5 0 27.13 23.40 0.92 o
-7 5 0 74.36 82.86 3.06 o
-6 5 0 221.59 219.04 6.31 o
-5 5 0 89.00 93.37 1.79 o
-4 5 0 43.10 45.88 0.98 o
-3 5 0 128.15 129.27 2.35 o
-2 5 0 5.98 3.44 0.16 o
-1 5 0 1.82 3.58 0.19 o
0 5 0 577.95 595.81 8.79 o
1 5 0 11.32 11.28 0.43 o
2 5 0 107.63 107.64 2.09 o
3 5 0 5.10 4.57 0.30 o
4 5 0 2.03 1.58 0.23 o
5 5 0 77.46 60.25 2.38 o
6 5 0 3.64 3.06 0.32 o
-9 6 0 8.78 9.67 0.63 o
-8 6 0 23.09 26.64 1.26 o
-7 6 0 37.32 32.84 1.09 o
-6 6 0 62.28 59.76 1.63 o
-5 6 0 696.96 731.92 12.35 o
-4 6 0 414.50 407.26 14.81 o
-3 6 0 82.79 89.27 1.72 o
-2 6 0 1439.13 1633.92 27.16 o
-1 6 0 56.80 63.31 1.10 o
0 6 0 397.66 395.62 6.89 o
1 6 0 665.18 687.51 11.85 o
2 6 0 27.82 28.48 0.78 o
3 6 0 9.25 7.83 0.41 o
4 6 0 35.04 38.93 1.22 o
5 6 0 4.12 4.76 0.62 o
-9 7 0 18.09 15.49 0.81 o
-8 7 0 18.98 19.07 0.84 o
-7 7 0 108.73 104.61 2.64 o
-6 7 0 242.14 233.94 5.21 o
-5 7 0 38.18 38.13 1.41 o
-4 7 0 206.06 210.06 3.77 o
-3 7 0 3.19 3.10 0.27 o
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-1 7 0 59.77 63.15 1.30 o
0 7 0 196.34 187.42 4.28 o
1 7 0 30.37 33.41 0.88 o
2 7 0 0.02 0.09 0.15 o
3 7 0 2.31 1.62 0.43 o
4 7 0 4.08 4.37 0.38 o
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-5 8 0 229.53 235.44 4.26 o
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-3 8 0 1.09 1.54 0.21 o
-2 8 0 346.20 320.97 5.63 o
-1 8 0 59.51 61.11 2.35 o
0 8 0 14.79 13.37 0.65 o
1 8 0 64.49 62.24 1.73 o
2 8 0 17.79 19.59 0.98 o
3 8 0 18.23 18.40 1.02 o
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-3 9 0 0.02 -0.04 0.15 o
-2 9 0 0.29 0.13 0.29 o
-1 9 0 370.22 407.30 8.76 o
0 9 0 85.79 79.71 2.13 o
1 9 0 25.72 26.04 1.01 o
2 9 0 0.20 0.05 0.23 o
-7 10 0 1.54 0.35 0.40 o
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-5 10 0 17.92 19.89 0.69 o
-4 10 0 21.17 16.66 0.62 o
-3 10 0 0.16 0.27 0.26 o
-2 10 0 0.22 0.25 0.24 o
-1 10 0 11.77 13.58 0.72 o
0 10 0 0.26 0.31 0.27 o
-5 11 0 0.67 0.16 0.27 o
-4 11 0 0.04 0.01 0.27 o
-3 11 0 23.76 22.32 0.97 o
-2 11 0 1.38 1.93 0.52 o
1 -11 1 0.55 0.42 0.27 o
2 -11 1 4.95 5.44 0.50 o
3 -11 1 1.30 1.90 0.36 o
4 -11 1 35.74 35.24 1.21 o
5 -11 1 2.96 4.01 0.35 o
-1 -10 1 23.43 25.43 1.03 o
0 -10 1 14.17 14.30 0.72 o
1 -10 1 22.81 23.60 1.64 o
2 -10 1 221.92 210.08 4.80 o
3 -10 1 300.16 301.34 6.62 o
4 -10 1 163.79 153.92 3.06 o
5 -10 1 14.71 15.16 0.59 o
6 -10 1 27.01 24.80 1.00 o
7 -10 1 40.58 44.51 1.49 o
-3 -9 1 22.80 28.21 1.72 o
-2 -9 1 60.01 62.74 1.81 o
-1 -9 1 68.22 72.58 1.99 o
0 -9 1 3.44 2.41 0.35 o
1 -9 1 5.25 4.36 0.41 o
2 -9 1 3.15 2.45 0.68 o
3 -9 1 39.61 36.31 0.93 o
4 -9 1 10.30 9.67 0.45 o
5 -9 1 19.87 17.24 0.63 o
6 -9 1 0.82 1.38 0.25 o
7 -9 1 3.49 4.02 0.46 o
8 -9 1 21.20 21.57 2.50 o
-4 -8 1 6.29 5.01 0.41 o
-3 -8 1 0.94 1.83 0.32 o
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-1 -8 1 124.93 128.82 3.08 o
0 -8 1 245.75 266.32 5.84 o
1 -8 1 61.35 54.05 2.87 o
2 -8 1 44.90 44.21 1.02 o
3 -8 1 481.32 447.02 7.69 o
4 -8 1 182.16 177.91 3.27 o
5 -8 1 29.20 27.88 0.78 o
6 -8 1 98.72 98.42 2.48 o
7 -8 1 17.42 18.44 0.89 o
8 -8 1 19.80 19.49 0.88 o
-5 -7 1 0.08 0.07 0.18 o
-4 -7 1 0.02 1.29 0.24 o
-3 -7 1 208.79 199.82 3.78 o
-2 -7 1 0.08 0.01 0.15 o
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0 -7 1 38.93 35.56 1.06 o
1 -7 1 25.62 26.53 0.68 o
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3 -7 1 44.21 45.25 1.02 o
4 -7 1 63.92 58.34 2.07 o
5 -7 1 430.55 423.31 7.30 o
6 -7 1 3.35 2.20 0.25 o
7 -7 1 130.43 114.48 2.82 o
8 -7 1 0.42 0.10 0.22 o
9 -7 1 3.59 3.64 0.45 o
-6 -6 1 4.64 6.52 0.56 o
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-3 -6 1 16.45 15.54 0.59 o
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-1 -6 1 4.60 5.49 0.79 o
0 -6 1 0.13 0.54 0.12 o
1 -6 1 55.71 71.92 1.40 o
2 -6 1 191.35 186.73 3.31 o
3 -6 1 24.83 28.24 0.69 o
4 -6 1 18.19 15.82 0.49 o
5 -6 1 14.03 13.46 0.46 o
6 -6 1 1.82 1.16 0.19 o
7 -6 1 53.21 47.39 1.40 o
8 -6 1 2.99 3.67 0.41 o
9 -6 1 0.25 0.13 0.30 o
-6 -5 1 1.74 0.62 0.28 o
-5 -5 1 41.18 40.65 1.04 o
-4 -5 1 72.82 82.93 1.74 o
-3 -5 1 186.11 193.75 6.36 o
-2 -5 1 55.46 59.51 3.25 o
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0 -5 1 119.43 129.43 2.02 o
1 -5 1 5.03 4.05 0.22 o
2 -5 1 1.19 1.98 0.25 o
3 -5 1 647.04 697.23 11.70 o
4 -5 1 16.28 15.23 0.44 o
5 -5 1 76.21 75.32 3.47 o
6 -5 1 10.40 7.85 0.35 o
7 -5 1 0.81 0.94 0.25 o
8 -5 1 65.48 49.48 1.47 o
9 -5 1 5.88 5.81 0.75 o
-7 -4 1 48.16 51.00 1.88 o
-6 -4 1 8.55 7.89 0.69 o
-5 -4 1 191.22 175.52 4.28 o
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-2 -4 1 124.06 159.04 3.50 o
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0 -4 1 220.22 271.76 6.93 o
1 -4 1 1207.71 1387.12 20.21 o
2 -4 1 243.92 294.51 5.02 o
3 -4 1 973.79 1071.14 15.66 o
4 -4 1 123.79 152.87 2.37 o
5 -4 1 493.29 524.58 7.78 o
6 -4 1 42.38 37.41 0.75 o
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8 -4 1 20.63 19.73 1.18 o
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3 -3 1 298.49 310.00 4.62 o
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1 -2 1 2449.56 2190.38 54.70 o
2 -2 1 2505.72 2492.35 68.53 o
3 -2 1 1520.41 1647.42 23.94 o
4 -2 1 213.53 203.39 3.10 o
5 -2 1 35.62 43.68 0.81 o
6 -2 1 34.64 35.88 1.00 o
7 -2 1 34.47 34.80 1.27 o
8 -2 1 6.99 6.14 0.47 o
9 -2 1 2.42 2.06 0.36 o
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-6 -1 1 1337.02 1377.61 28.97 o
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-4 -1 1 0.06 0.24 0.07 o
-3 -1 1 838.71 924.19 13.50 o
-2 -1 1 119.28 106.92 1.63 o
-1 -1 1 477.76 486.20 7.11 o
0 -1 1 0.18 -0.12 0.12 o
1 -1 1 398.57 399.23 5.85 o
2 -1 1 120.07 105.38 1.61 o
3 -1 1 955.51 1019.70 15.53 o
4 -1 1 1.64 0.93 0.20 o
5 -1 1 237.07 232.11 3.56 o
6 -1 1 1331.92 1398.24 20.44 o
7 -1 1 323.74 295.84 10.15 o
8 -1 1 8.23 11.15 0.79 o
9 -1 1 59.86 63.77 1.93 o
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-8 0 1 0.43 0.52 0.22 o
-7 0 1 3.15 2.96 0.35 o
-6 0 1 2.09 2.55 0.24 o
-5 0 1 653.17 667.09 9.84 o
-4 0 1 5.32 4.71 0.18 o
-3 0 1 1090.60 1152.47 16.80 o
-2 0 1 0.94 0.87 0.12 o
-1 0 1 72.59 66.10 1.16 o
0 0 1 36.48 31.17 0.67 o
1 0 1 3.54 0.85 0.13 o
2 0 1 0.07 -0.05 0.05 o
3 0 1 993.97 1062.66 15.50 o
4 0 1 0.57 0.77 0.17 o
5 0 1 101.04 120.50 1.95 o
6 0 1 0.13 0.10 0.14 o
7 0 1 39.93 37.65 1.59 o
8 0 1 0.24 0.41 0.24 o
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-8 1 1 66.69 55.76 1.62 o
-7 1 1 109.93 103.29 3.07 o
-6 1 1 20.32 19.58 0.78 o
-5 1 1 126.20 124.72 1.98 o
-4 1 1 168.50 178.32 3.17 o
-3 1 1 31.67 31.26 0.79 o
-2 1 1 364.61 337.62 4.98 o
-1 1 1 0.45 0.49 0.12 o
0 1 1 331.78 319.23 4.69 o
1 1 1 27.05 17.94 0.34 o
2 1 1 30.22 25.32 0.51 o
3 1 1 1113.07 1211.28 20.53 o
4 1 1 310.28 317.47 5.62 o
5 1 1 87.05 91.67 1.88 o
6 1 1 992.55 1013.99 17.39 o
7 1 1 3.61 2.67 0.35 o
8 1 1 32.27 30.42 1.16 o
-9 2 1 46.26 44.00 1.44 o
-8 2 1 7.25 6.18 0.40 o
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-6 2 1 223.69 245.56 4.40 o
-5 2 1 159.10 163.85 2.54 o
-4 2 1 2603.64 2861.02 64.29 o
-3 2 1 14.71 18.83 0.48 o
-2 2 1 43.44 47.26 0.78 o
-1 2 1 4471.43 3975.64 58.06 o
0 2 1 30.60 35.45 0.60 o
1 2 1 74.20 86.13 1.60 o
2 2 1 2615.62 2836.69 47.87 o
3 2 1 97.49 100.19 1.91 o
4 2 1 228.42 248.92 4.47 o
5 2 1 0.67 0.76 0.17 o
6 2 1 3.14 2.65 0.35 o
7 2 1 22.05 21.42 0.91 o
-9 3 1 17.65 20.11 0.88 o
-8 3 1 45.24 50.73 1.22 o
-7 3 1 52.60 47.36 1.11 o
-6 3 1 115.33 101.01 1.97 o
-5 3 1 67.49 76.55 1.47 o
-4 3 1 8.23 6.28 0.21 o
-3 3 1 545.53 547.24 8.05 o
-2 3 1 26.65 20.02 0.53 o
-1 3 1 124.85 116.89 1.80 o
0 3 1 60.92 66.39 1.07 o
1 3 1 253.90 257.70 4.99 o
2 3 1 87.61 90.53 1.75 o
3 3 1 77.14 79.77 1.60 o
4 3 1 85.13 82.64 1.70 o
5 3 1 24.31 22.91 0.70 o
6 3 1 12.10 13.12 0.60 o
7 3 1 23.32 25.10 1.05 o
-9 4 1 74.27 83.98 2.24 o
-8 4 1 9.27 8.91 0.54 o
-7 4 1 125.35 126.68 2.45 o
-6 4 1 38.98 36.62 0.88 o
-5 4 1 60.58 64.46 1.11 o
-4 4 1 287.10 287.63 4.33 o
-3 4 1 312.40 313.52 4.68 o
-2 4 1 1030.70 1052.76 15.37 o
-1 4 1 131.95 134.92 2.09 o
0 4 1 121.75 111.25 1.75 o
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2 4 1 142.79 135.21 3.29 o
3 4 1 54.27 55.74 1.24 o
4 4 1 7.39 7.16 0.74 o
5 4 1 70.05 67.38 1.53 o
6 4 1 7.32 6.66 0.41 o
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-6 5 1 89.28 101.60 7.09 o
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-4 5 1 173.73 167.60 2.65 o
-3 5 1 42.40 42.83 0.92 o
-2 5 1 7.02 5.72 0.21 o
-1 5 1 23.58 23.98 0.73 o
0 5 1 182.73 181.27 2.80 o
1 5 1 218.01 213.57 5.82 o
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3 5 1 253.52 259.91 4.74 o
4 5 1 341.93 311.30 5.66 o
5 5 1 118.15 120.00 2.47 o
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-2 7 1 0.15 0.07 0.14 o
-1 7 1 100.44 104.01 2.49 o
0 7 1 1.59 1.80 0.29 o
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2 7 1 49.50 49.16 1.22 o
3 7 1 1.46 1.22 0.24 o
4 7 1 28.96 24.45 0.83 o
-8 8 1 39.77 45.50 1.51 o
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1 8 1 127.67 123.78 3.09 o
2 8 1 28.42 30.35 1.10 o
3 8 1 0.00 -0.15 0.22 o
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-1 9 1 8.73 8.96 0.84 o
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1 -11 2 15.85 15.40 0.78 o
2 -11 2 0.05 0.26 0.25 o
3 -11 2 1.01 0.87 0.29 o
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