#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:33:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181867 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/97/2019784.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_2019784
_cell_angle_alpha                96.900
_cell_angle_beta                 98.160
_cell_angle_gamma                96.510
_cell_length_a                   8.0015
_cell_length_b                   9.5135
_cell_length_c                   9.8460
_exptl_crystal_F_000             444.00
_reflns_d_resolution_high        0.8409
_cod_data_source_file            lf3001Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 in P1                     New: P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            174.83
_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
2 0 0 1377.92 1282.58 57.86 o
3 0 0 51.21 65.23 5.25 o
4 0 0 3172.19 3258.33 61.29 o
5 0 0 1237.84 1228.57 34.24 o
6 0 0 550.89 533.23 23.07 o
7 0 0 1821.89 1796.65 62.28 o
8 0 0 111.50 95.44 15.55 o
9 0 0 575.20 588.02 49.29 o
-9 1 0 55.16 68.12 16.52 o
-8 1 0 706.25 744.92 50.53 o
-7 1 0 1531.66 1520.03 49.97 o
-6 1 0 2092.26 2097.02 57.02 o
-5 1 0 1635.97 1724.48 78.34 o
-4 1 0 1815.87 1838.17 38.05 o
-3 1 0 1227.19 1181.47 34.01 o
-2 1 0 752.76 738.62 12.77 o
-1 1 0 6503.61 6134.29 61.89 o
1 1 0 442.13 415.91 11.31 o
2 1 0 968.95 952.05 16.68 o
3 1 0 7157.91 6892.74 143.35 o
4 1 0 2907.36 2992.98 84.74 o
5 1 0 1526.80 1480.03 39.30 o
6 1 0 1115.90 1060.61 62.48 o
7 1 0 24.68 15.82 12.50 o
8 1 0 898.44 880.27 53.70 o
9 1 0 1043.37 1111.56 53.23 o
-9 2 0 287.81 318.59 27.92 o
-8 2 0 305.09 291.04 22.89 o
-7 2 0 144.15 183.09 48.74 o
-6 2 0 569.31 624.27 24.40 o
-5 2 0 1270.98 1258.72 69.32 o
-4 2 0 6746.97 7068.32 111.52 o
-3 2 0 4.33 16.76 2.96 o
-2 2 0 3211.57 3198.14 83.95 o
-1 2 0 1926.07 1964.26 12.95 o
0 2 0 2687.49 2679.54 68.04 o
1 2 0 560.13 596.46 10.18 o
2 2 0 24288.74 21671.47 310.10 o
3 2 0 11711.54 11330.52 159.24 o
4 2 0 676.90 657.03 19.55 o
5 2 0 614.72 618.47 56.87 o
6 2 0 126.76 145.94 13.95 o
7 2 0 394.94 415.37 24.60 o
8 2 0 740.58 682.65 36.59 o
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-8 3 0 1146.90 1267.90 47.80 o
-7 3 0 575.79 583.74 30.35 o
-6 3 0 1824.42 1905.11 57.27 o
-5 3 0 2672.77 2678.15 58.04 o
-4 3 0 1660.19 1635.68 32.57 o
-3 3 0 593.58 617.93 22.61 o
-2 3 0 1008.03 994.09 13.09 o
-1 3 0 1860.13 1804.79 31.91 o
0 3 0 2176.20 2412.09 28.43 o
1 3 0 2900.86 2779.15 76.86 o
2 3 0 288.62 293.90 14.92 o
3 3 0 90.07 105.31 7.02 o
4 3 0 598.22 624.09 20.43 o
5 3 0 3241.80 3303.25 78.03 o
6 3 0 3259.74 3218.15 242.02 o
7 3 0 314.20 305.65 22.48 o
8 3 0 616.06 673.88 36.58 o
-9 4 0 932.74 919.49 82.46 o
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-6 4 0 219.72 187.35 12.55 o
-5 4 0 152.22 149.31 8.31 o
-4 4 0 377.01 381.68 17.11 o
-3 4 0 4513.39 4456.84 56.01 o
-2 4 0 10221.12 10400.96 88.21 o
-1 4 0 268.04 258.29 5.12 o
0 4 0 21.76 20.34 2.78 o
1 4 0 110.76 138.91 5.61 o
2 4 0 1781.58 1786.84 33.02 o
3 4 0 10.91 16.29 4.62 o
4 4 0 1997.72 1939.67 66.05 o
5 4 0 2222.85 2190.16 58.84 o
6 4 0 30.09 28.46 8.97 o
7 4 0 0.27 11.56 9.08 o
8 4 0 9.04 0.00 14.43 o
-8 5 0 1032.20 1058.33 70.61 o
-7 5 0 34.60 40.34 9.06 o
-6 5 0 3248.51 3062.85 186.29 o
-5 5 0 1798.32 1789.20 79.43 o
-4 5 0 1698.05 1607.36 27.53 o
-3 5 0 4079.02 3841.17 94.06 o
-2 5 0 1138.12 1085.47 37.44 o
-1 5 0 291.64 288.33 6.49 o
0 5 0 4.88 0.55 2.38 o
1 5 0 3731.11 4023.97 62.90 o
2 5 0 68.52 71.02 5.97 o
3 5 0 182.13 133.07 42.10 o
4 5 0 275.58 264.80 14.20 o
5 5 0 26.71 56.82 10.45 o
6 5 0 817.80 779.56 41.01 o
7 5 0 1011.37 1051.41 44.58 o
-8 6 0 36.63 55.44 20.73 o
-7 6 0 830.84 833.02 54.05 o
-6 6 0 1920.34 1895.01 85.29 o
-5 6 0 436.54 467.38 32.33 o
-4 6 0 683.75 785.02 38.77 o
-3 6 0 174.29 196.85 16.16 o
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-1 6 0 4391.19 4516.36 59.22 o
0 6 0 12147.59 12482.89 166.42 o
1 6 0 4434.95 4482.26 75.95 o
2 6 0 169.40 180.70 9.71 o
3 6 0 103.70 104.59 9.23 o
4 6 0 1031.61 1049.99 34.70 o
5 6 0 190.65 218.51 23.95 o
6 6 0 389.63 393.74 24.27 o
7 6 0 335.91 355.00 26.27 o
-8 7 0 381.66 316.74 39.17 o
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-5 7 0 157.77 153.91 20.23 o
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0 7 0 2250.29 2305.52 56.67 o
1 7 0 331.88 337.99 13.75 o
2 7 0 583.32 566.60 19.41 o
3 7 0 3073.09 3377.84 95.85 o
4 7 0 526.09 561.26 49.78 o
5 7 0 125.27 107.44 13.03 o
6 7 0 71.55 66.01 13.97 o
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-6 8 0 393.31 403.02 41.06 o
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3 8 0 1906.20 2068.65 57.35 o
4 8 0 573.23 595.20 32.82 o
5 8 0 122.63 142.71 24.35 o
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-5 9 0 571.67 522.62 38.08 o
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-2 9 0 200.13 213.21 19.83 o
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0 9 0 29.39 62.77 14.38 o
1 9 0 466.85 437.93 27.37 o
2 9 0 608.10 626.48 31.68 o
3 9 0 78.42 79.24 20.33 o
4 9 0 23.99 19.64 9.28 o
-5 10 0 8.82 15.87 13.78 o
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-3 10 0 60.19 61.58 15.27 o
-2 10 0 1448.38 1525.02 66.84 o
-1 10 0 399.08 437.23 30.15 o
0 10 0 130.09 83.50 14.38 o
1 10 0 8.01 0.00 7.93 o
2 10 0 236.39 188.12 24.99 o
3 10 0 19.85 21.52 12.99 o
-3 11 0 425.67 367.52 33.72 o
-2 11 0 348.21 308.22 29.95 o
-1 -11 1 139.08 152.03 26.68 o
0 -11 1 170.08 168.09 22.61 o
1 -11 1 1110.74 1027.98 62.97 o
2 -11 1 1198.51 1220.57 71.00 o
3 -11 1 1738.17 1683.39 85.88 o
-3 -10 1 11.77 0.00 10.71 o
-2 -10 1 59.68 61.09 15.77 o
-1 -10 1 312.46 331.42 27.87 o
0 -10 1 76.56 66.24 17.75 o
1 -10 1 740.76 721.65 48.10 o
2 -10 1 1192.82 883.89 49.68 o
3 -10 1 37.45 58.11 15.57 o
4 -10 1 56.47 52.56 16.26 o
5 -10 1 364.77 331.03 35.01 o
-4 -9 1 19.85 58.95 27.12 o
-3 -9 1 239.21 169.05 118.16 o
-2 -9 1 660.21 650.63 27.52 o
-1 -9 1 168.21 184.04 13.18 o
0 -9 1 21.89 42.84 11.60 o
1 -9 1 9.16 0.20 7.74 o
2 -9 1 304.12 333.21 25.19 o
3 -9 1 1568.26 1599.00 70.41 o
4 -9 1 1283.04 1371.21 68.43 o
5 -9 1 1249.57 1176.04 64.86 o
6 -9 1 136.31 217.28 29.35 o
-5 -8 1 251.26 301.27 31.93 o
-4 -8 1 891.64 962.80 38.81 o
-3 -8 1 3630.20 3996.53 388.39 o
-2 -8 1 487.05 500.82 20.19 o
-1 -8 1 106.59 112.32 12.74 o
0 -8 1 211.54 208.53 9.66 o
1 -8 1 495.57 455.78 26.78 o
2 -8 1 2.33 0.99 6.25 o
3 -8 1 27.82 34.51 11.31 o
4 -8 1 1304.04 1304.86 60.39 o
5 -8 1 6.24 13.49 12.10 o
6 -8 1 214.46 239.10 29.45 o
7 -8 1 315.55 290.86 35.01 o
-6 -7 1 1529.28 1524.33 57.77 o
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-3 -7 1 2.72 7.40 5.74 o
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-1 -7 1 1788.20 1924.57 56.58 o
0 -7 1 4240.18 4366.10 137.40 o
1 -7 1 2507.38 2491.32 77.55 o
2 -7 1 117.37 119.89 13.69 o
3 -7 1 17.53 14.68 8.53 o
4 -7 1 467.11 468.77 31.34 o
5 -7 1 2481.31 2429.83 100.66 o
6 -7 1 1367.63 1326.78 70.51 o
7 -7 1 675.32 677.12 50.68 o
-7 -6 1 1282.09 1216.52 54.72 o
-6 -6 1 8.15 2.90 7.00 o
-5 -6 1 8.50 13.57 7.83 o
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-3 -6 1 3235.99 3170.47 71.22 o
-2 -6 1 977.42 1011.15 27.03 o
-1 -6 1 6231.61 6310.90 153.12 o
0 -6 1 5443.99 5548.45 156.64 o
1 -6 1 48.55 47.75 7.88 o
2 -6 1 658.99 678.51 29.65 o
3 -6 1 281.81 258.33 19.34 o
4 -6 1 1514.73 1589.77 64.66 o
5 -6 1 19.78 27.37 12.10 o
6 -6 1 155.82 180.78 24.20 o
7 -6 1 139.67 163.33 25.29 o
8 -6 1 1014.54 959.75 66.74 o
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-5 -5 1 345.13 373.76 19.41 o
-4 -5 1 2328.76 2370.84 68.13 o
-3 -5 1 1182.79 1267.19 83.45 o
-2 -5 1 883.26 865.91 21.98 o
-1 -5 1 2607.10 2804.23 47.42 o
0 -5 1 444.41 421.74 13.24 o
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3 -5 1 10410.02 10313.54 253.57 o
4 -5 1 445.21 431.21 18.45 o
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6 -5 1 290.78 275.22 16.91 o
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3 -3 1 5780.74 5878.75 73.78 o
4 -3 1 2419.76 2382.01 43.62 o
5 -3 1 9322.95 9416.86 161.86 o
6 -3 1 912.29 864.55 26.89 o
7 -3 1 13.04 19.12 7.28 o
8 -3 1 4.06 0.00 13.34 o
9 -3 1 27.95 49.60 38.28 o
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-6 -2 1 964.44 1019.94 35.75 o
-5 -2 1 1146.02 1117.81 33.31 o
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-1 -2 1 0.75 11.07 1.86 o
0 -2 1 35.71 43.99 2.09 o
1 -2 1 2232.70 2139.59 26.29 o
2 -2 1 356.10 318.53 9.02 o
3 -2 1 1112.36 1072.81 33.72 o
4 -2 1 3222.91 3042.56 55.56 o
5 -2 1 762.22 740.29 54.84 o
6 -2 1 153.18 161.79 13.69 o
7 -2 1 472.38 478.32 22.83 o
8 -2 1 901.27 897.10 93.12 o
9 -2 1 190.13 179.15 21.52 o
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-2 -1 1 465.25 422.04 24.79 o
-1 -1 1 14497.59 12744.66 110.81 o
1 -1 1 6836.88 6541.64 86.08 o
2 -1 1 4339.02 4479.89 53.49 o
3 -1 1 5466.39 5708.44 82.68 o
4 -1 1 172.21 138.24 25.19 o
5 -1 1 1366.26 1298.91 43.09 o
6 -1 1 1641.38 1716.28 50.08 o
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3 1 1 10907.52 10324.86 143.36 o
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5 1 1 927.32 916.89 47.15 o
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8 1 1 440.04 470.00 29.59 o
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-4 2 1 1756.22 1739.87 35.63 o
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0 2 1 3375.17 3416.76 29.45 o
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2 2 1 17025.56 15849.41 180.64 o
3 2 1 508.84 474.69 14.18 o
4 2 1 60.53 66.99 7.19 o
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-9 3 1 548.41 541.61 32.36 o
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