#------------------------------------------------------------------------------
#$Date: 2016-10-07 04:56:51 +0300 (Fri, 07 Oct 2016) $
#$Revision: 187003 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/06/2020630.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020630
_cell_angle_alpha                98.249
_cell_angle_beta                 95.337
_cell_angle_gamma                102.467
_cell_length_a                   6.9686
_cell_length_b                   11.8758
_cell_length_c                   15.1008
_exptl_crystal_F_000             616.00
_reflns_d_resolution_high        0.7922
_cod_data_source_file            fa33931sup2.hkl
_cod_data_source_block           1
_shelx_title                     ' tac163 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            242.92
_shelx_f_squared_multiplier      1.000
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 1.13 -9.91 16.58 o
2 0 0 47128.57 44387.75 726.69 o
3 0 0 559.53 560.11 38.04 o
4 0 0 19564.16 19499.79 362.34 o
5 0 0 88.25 103.56 19.46 o
6 0 0 17506.39 18035.31 157.07 o
7 0 0 53.20 58.64 21.83 o
8 0 0 3713.84 3657.18 113.45 o
-8 1 0 4104.03 4172.92 57.78 o
-7 1 0 86.40 123.38 23.58 o
-6 1 0 9621.16 9933.85 120.93 o
-5 1 0 72.91 84.99 21.30 o
-4 1 0 19082.00 19499.32 251.13 o
-3 1 0 6.82 41.73 21.82 o
-2 1 0 38779.51 38043.04 869.00 o
-1 1 0 257.74 264.19 15.10 o
0 1 0 37259.84 37184.33 369.56 o
1 1 0 11.01 1.06 15.31 o
2 1 0 30512.40 30908.24 194.47 o
3 1 0 335.51 300.22 31.82 o
4 1 0 16269.64 16013.71 304.52 o
5 1 0 39.72 7.48 18.98 o
6 1 0 5257.33 5393.67 80.29 o
7 1 0 151.46 181.41 22.13 o
8 1 0 2200.75 2197.21 57.93 o
-8 2 0 2994.71 2959.89 50.42 o
-7 2 0 47.09 39.91 23.34 o
-6 2 0 3740.93 3926.43 80.65 o
-5 2 0 200.60 198.28 26.18 o
-4 2 0 17304.20 18431.77 239.90 o
-3 2 0 17.40 16.41 21.15 o
-2 2 0 25891.32 25719.19 276.12 o
-1 2 0 5922.07 5854.32 111.67 o
0 2 0 14239.23 14226.62 241.31 o
1 2 0 4914.50 5133.91 104.92 o
2 2 0 24222.84 23249.94 365.66 o
3 2 0 134.46 131.96 28.13 o
4 2 0 11636.25 11618.47 265.52 o
5 2 0 3319.79 3321.26 52.33 o
6 2 0 4472.51 4674.26 68.09 o
7 2 0 771.73 761.50 42.01 o
8 2 0 1412.59 1334.19 39.17 o
-8 3 0 4084.94 4150.92 62.93 o
-7 3 0 71.39 78.78 22.17 o
-6 3 0 7022.55 7233.88 93.79 o
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-4 3 0 14998.93 15672.52 219.19 o
-3 3 0 257.82 236.76 29.65 o
-2 3 0 19647.12 19598.10 322.89 o
-1 3 0 6452.35 6358.57 163.70 o
0 3 0 33443.60 32627.65 522.92 o
1 3 0 6469.71 6639.11 95.96 o
2 3 0 10528.99 10268.03 117.79 o
3 3 0 2249.04 2147.79 83.65 o
4 3 0 4008.21 3948.86 132.07 o
5 3 0 2199.29 2201.59 45.08 o
6 3 0 3682.90 3909.18 61.70 o
7 3 0 949.78 1061.73 53.65 o
-8 4 0 4189.61 4142.09 65.09 o
-7 4 0 94.07 104.54 22.23 o
-6 4 0 5870.50 5975.38 85.19 o
-5 4 0 443.78 467.06 33.39 o
-4 4 0 7113.77 6855.13 228.09 o
-3 4 0 1756.90 1719.87 78.52 o
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0 4 0 9792.89 9230.78 140.91 o
1 4 0 4101.36 4124.06 82.02 o
2 4 0 7750.63 7693.03 121.98 o
3 4 0 2087.83 1941.52 103.31 o
4 4 0 4969.83 4894.13 63.39 o
5 4 0 1010.63 1005.11 33.50 o
6 4 0 2011.04 1977.16 50.80 o
7 4 0 1006.74 1045.14 40.90 o
-8 5 0 2980.33 2989.59 56.71 o
-7 5 0 221.13 221.31 30.18 o
-6 5 0 5807.69 5904.93 113.37 o
-5 5 0 1289.78 1330.50 53.62 o
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-3 5 0 2537.05 2522.37 87.37 o
-2 5 0 15721.11 15679.12 239.73 o
-1 5 0 3183.55 2704.08 208.24 o
0 5 0 11354.25 10897.40 150.31 o
1 5 0 6238.64 6295.27 116.50 o
2 5 0 10992.34 11159.51 199.22 o
3 5 0 1763.46 1662.10 82.92 o
4 5 0 4912.50 4861.13 66.08 o
5 5 0 1818.26 1860.93 46.81 o
6 5 0 1152.65 1171.93 38.86 o
7 5 0 898.57 910.48 43.42 o
-8 6 0 2817.91 2725.95 65.55 o
-7 6 0 661.36 688.87 52.16 o
-6 6 0 3452.34 3672.30 116.78 o
-5 6 0 1404.87 1453.90 63.72 o
-4 6 0 7189.21 7287.53 232.59 o
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0 6 0 5676.86 5395.32 133.37 o
1 6 0 2061.84 2042.43 87.75 o
2 6 0 5691.86 5836.68 158.95 o
3 6 0 3951.03 3903.48 65.04 o
4 6 0 2924.35 2918.60 62.38 o
5 6 0 1468.34 1490.33 41.93 o
6 6 0 1147.92 1096.29 30.42 o
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3 7 0 2314.48 2245.28 58.15 o
4 7 0 2078.83 2105.61 51.49 o
5 7 0 1830.97 1802.04 46.58 o
6 7 0 855.86 766.21 37.65 o
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-7 8 0 756.41 777.83 51.53 o
-6 8 0 3464.95 3503.57 123.03 o
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-4 8 0 3866.87 3693.24 88.59 o
-3 8 0 3120.42 2958.49 62.97 o
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-1 8 0 1971.66 2124.54 113.11 o
0 8 0 4997.77 5108.32 160.73 o
1 8 0 3818.33 3791.02 72.58 o
2 8 0 2248.71 2150.56 65.74 o
3 8 0 2538.83 2439.15 70.03 o
4 8 0 1528.59 1572.15 50.28 o
5 8 0 801.42 892.70 40.50 o
6 8 0 851.64 670.76 30.86 o
-7 9 0 253.27 277.76 38.04 o
-6 9 0 1930.94 1996.09 75.71 o
-5 9 0 922.74 992.00 72.22 o
-4 9 0 1886.98 1825.84 86.73 o
-3 9 0 1881.13 1882.00 70.28 o
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0 9 0 1452.81 1357.15 49.81 o
1 9 0 1255.83 1204.31 50.96 o
2 9 0 1294.66 1278.10 55.19 o
3 9 0 1663.16 1763.34 58.23 o
4 9 0 616.16 696.66 46.39 o
5 9 0 732.57 765.40 36.35 o
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-6 10 0 801.78 818.39 62.53 o
-5 10 0 515.50 480.76 63.12 o
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-3 10 0 438.26 485.41 46.88 o
-2 10 0 1901.72 1843.65 68.29 o
-1 10 0 1246.33 1218.21 52.54 o
0 10 0 516.52 558.47 50.12 o
1 10 0 762.31 843.31 46.88 o
2 10 0 453.60 510.00 45.45 o
3 10 0 164.82 199.66 36.49 o
4 10 0 445.78 468.18 31.69 o
-7 11 0 203.08 202.04 59.69 o
-6 11 0 1049.80 1012.96 58.38 o
-5 11 0 83.71 38.53 71.31 o
-4 11 0 1167.94 1343.65 64.11 o
-3 11 0 571.90 564.74 47.11 o
-2 11 0 571.70 573.28 59.89 o
-1 11 0 510.87 451.55 57.45 o
0 11 0 608.27 644.19 58.61 o
1 11 0 392.76 464.30 44.97 o
2 11 0 457.50 478.34 39.05 o
3 11 0 816.88 883.32 38.14 o
4 11 0 112.14 124.62 15.42 o
-6 12 0 666.87 713.22 39.74 o
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-3 12 0 1822.57 1817.79 101.02 o
-2 12 0 279.36 223.36 51.25 o
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0 12 0 152.95 173.31 40.51 o
1 12 0 1090.54 1207.50 86.65 o
2 12 0 302.27 350.51 35.05 o
3 12 0 1393.79 1433.57 59.94 o
-5 13 0 588.77 540.83 76.17 o
-4 13 0 368.38 329.69 35.86 o
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-2 13 0 908.52 1007.29 62.00 o
-1 13 0 1132.16 1286.38 68.41 o
0 13 0 1229.66 1348.56 80.87 o
1 13 0 968.10 1015.93 51.84 o
2 13 0 164.85 164.75 24.74 o
-4 14 0 610.23 675.00 55.66 o
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-1 14 0 980.02 1097.34 63.88 o
0 14 0 339.81 328.90 36.95 o
0 -14 1 408.57 353.16 48.94 o
1 -14 1 1880.19 1860.91 212.77 o
2 -14 1 512.87 554.30 221.44 o
3 -14 1 1647.95 1695.65 68.40 o
4 -14 1 265.57 273.34 42.27 o
-2 -13 1 207.43 217.94 25.33 o
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0 -13 1 683.75 770.00 51.53 o
1 -13 1 1712.61 1766.22 97.73 o
2 -13 1 322.47 368.00 37.60 o
3 -13 1 786.14 810.80 46.58 o
4 -13 1 174.34 158.89 33.50 o
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0 -12 1 136.40 114.49 38.26 o
1 -12 1 2202.91 2269.02 160.93 o
2 -12 1 1346.31 1291.82 61.78 o
3 -12 1 2274.16 2209.95 169.99 o
4 -12 1 1745.89 1825.54 81.47 o
5 -12 1 1114.54 1185.31 98.60 o
6 -12 1 205.76 184.92 27.55 o
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0 -11 1 593.96 639.96 69.68 o
1 -11 1 2921.41 2877.72 115.38 o
2 -11 1 926.69 978.28 53.89 o
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4 -11 1 387.56 534.32 52.25 o
5 -11 1 761.37 749.68 61.57 o
6 -11 1 541.66 512.91 46.28 o
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1 -8 1 2114.18 2035.02 109.29 o
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