#------------------------------------------------------------------------------
#$Date: 2016-04-19 03:52:26 +0300 (Tue, 19 Apr 2016) $
#$Revision: 182197 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/04/2020488.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_2020488
_cell_angle_alpha                100.957(5)
_cell_angle_beta                 96.178(4)
_cell_angle_gamma                99.694(5)
_cell_length_a                   8.1048(4)
_cell_length_b                   10.3928(6)
_cell_length_c                   11.5740(6)
_exptl_crystal_F_000             547.8019
_cod_data_source_file            lf3032Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' CF solution in P-1'
_shelx_refln_list_code           4
_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
-10 1 1 2024.15 1921.61 163.64 o
-10 1 2 1814.82 1802.79 153.71 o
-10 1 3 830.64 822.93 105.57 o
-10 2 1 741.51 859.93 105.80 o
-10 2 2 1146.58 1084.56 115.97 o
-10 2 3 1397.14 1547.55 135.86 o
-10 3 1 27.17 41.68 42.20 o
-10 3 2 299.21 503.15 77.59 o
-10 3 3 599.15 617.17 86.44 o
-10 4 1 99.57 60.91 37.29 o
-10 4 2 17.93 2.32 29.57 o
-9 -3 1 31.04 62.62 36.10 o
-9 -3 2 67.36 18.63 32.68 o
-9 -3 3 229.49 367.55 77.76 o
-9 -3 4 47.96 57.10 37.07 o
-9 -3 5 96.96 126.17 49.38 o
-9 -3 6 33.02 29.40 37.36 o
-9 -2 1 450.23 535.14 89.03 o
-9 -2 2 457.68 520.61 87.81 o
-9 -2 3 44.73 71.55 35.67 o
-9 -2 4 2.71 27.49 40.46 o
-9 -2 5 12.55 16.89 37.28 o
-9 -2 6 125.84 191.42 33.17 o
-9 -2 7 84.74 88.15 25.07 o
-9 -1 1 1279.79 1213.03 126.05 o
-9 -1 2 904.62 949.85 109.96 o
-9 -1 3 749.90 879.48 104.86 o
-9 -1 4 276.43 364.63 73.24 o
-9 -1 5 128.30 108.24 48.16 o
-9 -1 6 3.71 33.69 14.19 o
-9 -1 7 10.85 -13.55 13.91 o
-9 0 1 268.39 168.63 51.01 o
-9 0 2 780.55 768.80 96.72 o
-9 0 3 546.41 672.78 86.97 o
-9 0 4 665.99 665.35 85.26 o
-9 0 5 947.45 899.65 60.96 o
-9 0 6 1099.97 991.62 50.51 o
-9 0 7 590.69 679.84 57.68 o
-9 1 1 96.08 60.68 34.58 o
-9 1 2 242.44 194.88 53.80 o
-9 1 3 379.45 465.14 69.28 o
-9 1 4 536.60 488.33 72.73 o
-9 1 5 1069.63 1146.98 108.80 o
-9 1 6 844.81 802.40 59.83 o
-9 1 7 804.58 864.61 64.45 o
-9 2 1 44.59 26.40 31.60 o
-9 2 2 87.18 123.45 46.58 o
-9 2 3 49.32 86.96 43.60 o
-9 2 4 67.97 45.66 29.51 o
-9 2 5 374.25 390.37 65.77 o
-9 2 6 503.10 596.83 79.43 o
-9 2 7 482.78 423.30 66.00 o
-9 3 1 0.16 -19.66 27.46 o
-9 3 2 1.29 -18.83 33.13 o
-9 3 3 2.83 14.85 28.75 o
-9 3 4 16.76 27.99 28.50 o
-9 3 5 7.52 0.53 28.49 o
-9 3 6 58.45 89.12 35.11 o
-9 3 7 181.51 214.99 49.33 o
-9 4 1 1012.26 1277.12 115.40 o
-9 4 2 489.54 465.38 71.13 o
-9 4 3 211.31 237.55 51.96 o
-9 4 4 66.55 6.17 26.67 o
-9 4 5 1.44 -18.20 28.38 o
-9 4 6 30.77 40.00 27.46 o
-9 5 1 2494.30 2613.48 167.21 o
-9 5 2 1497.68 1533.63 124.43 o
-9 5 3 866.76 938.15 95.91 o
-9 5 4 680.83 642.91 78.31 o
-9 5 5 404.81 331.79 58.29 o
-9 5 6 74.56 85.55 32.09 o
-9 6 1 827.95 826.98 93.05 o
-9 6 2 1253.25 1352.13 116.49 o
-9 6 3 850.55 968.25 97.31 o
-9 6 4 816.18 855.34 89.13 o
-9 6 5 679.16 689.18 80.94 o
-9 7 1 62.82 83.39 32.94 o
-9 7 2 302.59 293.16 56.61 o
-9 7 3 255.27 352.20 59.76 o
-8 -6 2 210.86 273.93 80.80 o
-8 -6 3 37.33 56.04 42.26 o
-8 -6 4 51.40 126.74 57.31 o
-8 -5 1 727.84 792.22 115.04 o
-8 -5 2 497.44 409.24 86.24 o
-8 -5 3 244.31 393.11 83.73 o
-8 -5 4 66.41 49.57 46.12 o
-8 -5 5 10.57 22.13 40.40 o
-8 -5 6 71.90 104.55 33.05 o
-8 -5 7 56.13 78.94 27.75 o
-8 -4 1 1868.25 1743.15 158.91 o
-8 -4 2 1668.59 1552.80 149.84 o
-8 -4 3 2804.20 3015.36 206.29 o
-8 -4 4 1002.78 1020.95 118.03 o
-8 -4 5 361.31 457.90 83.90 o
-8 -4 6 4.27 21.04 21.53 o
-8 -4 7 73.43 132.44 29.85 o
-8 -4 8 170.85 215.36 36.84 o
-8 -3 1 535.61 574.28 89.06 o
-8 -3 2 2096.90 2098.50 165.12 o
-8 -3 3 1866.55 1711.93 145.97 o
-8 -3 4 2795.90 2739.91 184.46 o
-8 -3 5 1552.96 1374.99 102.83 o
-8 -3 6 705.56 693.59 44.63 o
-8 -3 7 100.52 146.63 26.58 o
-8 -3 8 2.83 -6.26 14.71 o
-8 -3 9 120.49 89.06 21.13 o
-8 -2 1 12.74 -33.39 39.82 o
-8 -2 2 74.89 42.92 32.15 o
-8 -2 3 223.31 316.44 66.50 o
-8 -2 4 432.79 369.08 36.45 o
-8 -2 5 1417.74 1385.67 134.50 o
-8 -2 6 1890.03 1705.37 67.82 o
-8 -2 7 2022.47 2014.61 76.32 o
-8 -2 8 687.24 726.18 47.24 o
-8 -2 9 150.66 152.84 24.69 o
-8 -1 1 70.04 106.50 43.21 o
-8 -1 2 327.89 197.39 47.35 o
-8 -1 3 0.91 4.84 10.24 o
-8 -1 4 38.80 28.66 15.04 o
-8 -1 5 82.74 29.07 17.29 o
-8 -1 6 505.69 555.21 37.33 o
-8 -1 7 1098.12 1027.38 52.24 o
-8 -1 8 1460.13 1459.86 64.65 o
-8 -1 9 765.01 757.57 47.79 o
-8 0 1 11.17 16.21 20.18 o
-8 0 2 16.33 3.59 26.65 o
-8 0 3 197.23 196.50 46.19 o
-8 0 4 165.74 167.65 25.79 o
-8 0 5 711.53 621.18 48.81 o
-8 0 6 91.27 121.96 19.46 o
-8 0 7 3.75 18.18 13.33 o
-8 0 8 183.49 187.51 23.79 o
-8 0 9 347.47 372.14 46.90 o
-8 0 10 605.39 494.61 80.99 o
-8 1 1 323.63 265.35 52.30 o
-8 1 2 4.52 29.12 29.56 o
-8 1 3 3.47 -12.20 22.31 o
-8 1 4 93.45 149.08 41.20 o
-8 1 5 143.48 119.60 24.44 o
-8 1 6 345.97 347.63 27.93 o
-8 1 7 226.25 224.18 33.53 o
-8 1 8 91.62 92.25 52.61 o
-8 1 9 31.58 44.11 23.86 o
-8 2 1 1063.14 1042.16 98.62 o
-8 2 2 180.61 190.63 44.91 o
-8 2 3 514.10 441.01 62.50 o
-8 2 4 244.68 200.71 45.88 o
-8 2 5 38.03 76.06 33.84 o
-8 2 6 80.75 98.77 24.09 o
-8 2 7 492.98 578.19 50.21 o
-8 2 8 307.62 245.06 35.24 o
-8 2 9 74.84 117.18 36.70 o
-8 3 1 285.01 280.62 53.65 o
-8 3 2 973.92 1164.35 99.06 o
-8 3 3 905.59 878.84 85.71 o
-8 3 4 1172.74 1209.73 99.78 o
-8 3 5 814.06 874.58 84.51 o
-8 3 6 520.01 491.64 64.46 o
-8 3 7 76.47 129.54 37.73 o
-8 3 8 0.99 16.90 27.61 o
-8 3 9 78.67 134.60 44.35 o
-8 4 1 4.64 3.32 24.85 o
-8 4 2 236.06 201.13 44.19 o
-8 4 3 496.98 495.92 64.33 o
-8 4 4 342.81 355.07 55.22 o
-8 4 5 894.55 941.70 84.81 o
-8 4 6 1428.97 1363.19 103.11 o
-8 4 7 803.16 846.60 83.02 o
-8 4 8 235.26 305.37 52.51 o
-8 5 1 15.21 -21.70 32.21 o
-8 5 2 2.38 21.19 28.40 o
-8 5 3 88.99 65.67 27.62 o
-8 5 4 0.20 10.93 21.85 o
-8 5 5 107.71 99.04 32.93 o
-8 5 6 398.07 415.81 57.73 o
-8 5 7 841.21 890.96 64.47 o
-8 5 8 1187.33 1140.25 121.58 o
-8 6 1 0.07 1.41 26.91 o
-8 6 2 14.23 1.06 26.40 o
-8 6 3 0.86 23.07 60.32 o
-8 6 4 7.02 16.99 28.11 o
-8 6 5 13.26 15.18 16.82 o
-8 6 6 269.73 287.69 38.87 o
-8 6 7 260.89 241.20 58.40 o
-8 7 1 51.00 25.14 31.89 o
-8 7 2 60.82 73.32 20.07 o
-8 7 3 107.50 101.06 24.46 o
-8 7 4 9.68 31.46 36.66 o
-8 7 5 3.31 5.71 25.52 o
-8 7 6 1.30 -14.43 18.95 o
-8 8 1 986.05 1067.99 101.19 o
-8 8 2 460.71 518.09 49.85 o
-8 8 3 431.04 463.18 47.53 o
-8 8 4 205.93 223.56 34.60 o
-8 9 1 572.53 746.34 88.89 o
-8 9 2 571.44 584.48 74.12 o
-7 -7 1 1919.60 1722.03 195.96 o
-7 -7 2 260.72 263.46 84.22 o
-7 -7 3 112.06 90.67 61.14 o
-7 -7 4 19.62 51.10 41.93 o
-7 -7 5 25.31 35.96 23.08 o
-7 -7 6 40.56 7.48 22.50 o
-7 -7 7 40.98 66.97 32.34 o
-7 -6 1 638.04 747.26 88.18 o
-7 -6 2 1809.44 1791.23 129.51 o
-7 -6 3 1103.20 1012.92 96.07 o
-7 -6 4 1599.15 1706.12 121.45 o
-7 -6 5 197.37 242.29 47.19 o
-7 -6 6 101.23 91.17 32.87 o
-7 -6 7 11.40 20.18 22.19 o
-7 -6 8 20.50 31.85 24.95 o
-7 -5 1 67.29 170.10 59.25 o
-7 -5 2 1048.77 997.33 123.23 o
-7 -5 3 2975.64 3293.04 216.55 o
-7 -5 4 2907.68 2512.70 185.62 o
-7 -5 5 3220.75 3189.15 207.49 o
-7 -5 6 999.94 1043.66 70.91 o
-7 -5 7 409.71 486.00 63.86 o
-7 -5 8 110.08 134.88 35.75 o
-7 -5 9 119.78 130.20 39.58 o
-7 -4 1 45.05 34.71 33.96 o
-7 -4 2 89.55 81.96 43.50 o
-7 -4 3 580.79 515.57 82.79 o
-7 -4 4 931.04 1046.39 112.50 o
-7 -4 5 2197.21 2216.92 162.44 o
-7 -4 6 2711.44 3076.78 118.24 o
-7 -4 7 2184.33 2021.46 96.39 o
-7 -4 8 1887.77 2005.84 126.75 o
-7 -4 9 613.21 687.57 76.27 o
-7 -4 10 314.20 303.61 52.69 o
-7 -3 1 201.67 169.96 47.38 o
-7 -3 2 222.60 212.96 52.74 o
-7 -3 3 414.87 421.66 36.03 o
-7 -3 4 9.08 3.16 14.24 o
-7 -3 5 168.55 233.94 55.85 o
-7 -3 6 2084.56 2085.67 113.14 o
-7 -3 7 2023.79 2265.14 101.91 o
-7 -3 8 2823.78 2789.49 138.74 o
-7 -3 9 2003.45 1994.88 95.52 o
-7 -3 10 849.61 772.03 78.07 o
-7 -3 11 592.75 685.51 76.67 o
-7 -2 1 643.03 745.84 87.81 o
-7 -2 2 205.56 174.02 21.60 o
-7 -2 3 5.16 -9.85 12.39 o
-7 -2 4 171.82 227.23 29.49 o
-7 -2 5 9.66 24.42 17.58 o
-7 -2 6 80.27 68.05 15.85 o
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-7 -2 10 489.85 510.39 40.48 o
-7 -2 11 703.64 746.65 59.01 o
-7 -1 1 9478.27 8929.72 310.58 o
-7 -1 2 2281.23 2194.11 135.49 o
-7 -1 3 1190.25 1098.78 93.82 o
-7 -1 4 11.62 35.04 17.37 o
-7 -1 5 2.73 1.40 13.05 o
-7 -1 6 24.68 5.82 12.43 o
-7 -1 7 138.97 193.63 23.34 o
-7 -1 8 0.50 8.36 12.45 o
-7 -1 9 75.42 48.16 15.06 o
-7 -1 10 254.76 283.68 30.00 o
-7 -1 11 274.69 350.14 66.26 o
-7 0 1 3454.41 3139.54 165.08 o
-7 0 2 7685.08 8136.32 280.64 o
-7 0 3 2889.78 2684.61 104.86 o
-7 0 4 2602.58 2583.01 90.68 o
-7 0 5 587.04 598.02 81.27 o
-7 0 6 240.77 221.02 22.31 o
-7 0 7 44.46 16.41 11.90 o
-7 0 8 212.70 233.78 24.35 o
-7 0 9 97.62 80.51 16.51 o
-7 0 10 12.10 27.69 22.77 o
-7 0 11 0.68 30.18 31.02 o
-7 1 1 434.18 463.39 61.82 o
-7 1 2 2257.89 2180.67 131.53 o
-7 1 3 4283.86 4228.61 115.93 o
-7 1 4 4224.95 3808.47 127.19 o
-7 1 5 4230.42 4156.82 160.11 o
-7 1 6 1436.58 1385.12 57.78 o
-7 1 7 405.97 443.43 39.24 o
-7 1 8 0.25 7.48 28.64 o
-7 1 9 57.54 61.54 19.35 o
-7 1 10 88.54 93.27 70.07 o
-7 1 11 63.41 121.73 41.94 o
-7 2 1 61.94 8.30 28.61 o
-7 2 2 48.05 45.40 29.68 o
-7 2 3 674.70 643.96 67.71 o
-7 2 4 1836.73 1932.22 116.81 o
-7 2 5 2483.57 2400.48 89.42 o
-7 2 6 2412.48 2534.71 69.29 o
-7 2 7 2013.71 1905.77 93.80 o
-7 2 8 775.26 860.04 60.41 o
-7 2 9 71.59 55.79 21.73 o
-7 2 10 54.98 26.05 26.03 o
-7 2 11 2.62 35.22 33.17 o
-7 3 1 482.95 560.71 64.11 o
-7 3 2 354.54 409.13 54.00 o
-7 3 3 409.63 369.29 49.67 o
-7 3 4 30.21 36.82 22.63 o
-7 3 5 45.94 58.95 25.78 o
-7 3 6 116.68 119.05 23.31 o
-7 3 7 464.86 556.49 46.15 o
-7 3 8 1635.87 1751.15 83.98 o
-7 3 9 1053.04 1086.58 106.79 o
-7 3 10 265.17 257.95 63.24 o
-7 4 1 575.67 462.85 58.52 o
-7 4 2 12.43 39.06 22.77 o
-7 4 3 663.52 560.08 62.00 o
-7 4 4 822.43 940.58 142.14 o
-7 4 5 483.05 499.23 44.15 o
-7 4 6 142.70 198.50 30.48 o
-7 4 7 119.03 109.29 24.86 o
-7 4 8 229.95 280.39 37.40 o
-7 4 9 289.66 375.33 71.73 o
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-7 5 1 1777.27 1885.07 120.82 o
-7 5 2 73.53 85.76 24.20 o
-7 5 3 22.42 48.05 36.99 o
-7 5 4 49.13 73.91 20.34 o
-7 5 5 168.03 212.74 38.01 o
-7 5 6 209.54 212.80 64.20 o
-7 5 7 474.34 489.17 45.22 o
-7 5 8 170.10 130.26 47.16 o
-7 5 9 1.25 13.01 32.89 o
-7 6 1 1029.04 1031.09 118.08 o
-7 6 2 1501.72 1635.92 76.79 o
-7 6 3 639.27 616.80 49.23 o
-7 6 4 636.97 650.22 50.55 o
-7 6 5 6.09 17.11 14.94 o
-7 6 6 77.06 66.44 23.28 o
-7 6 7 180.65 225.99 53.73 o
-7 6 8 147.66 165.98 50.77 o
-7 7 1 139.57 175.16 26.63 o
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-7 7 5 763.61 826.77 58.67 o
-7 7 6 288.75 256.97 33.74 o
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-7 8 1 58.01 25.39 16.19 o
-7 8 2 22.36 29.51 17.05 o
-7 8 3 14.80 14.05 14.95 o
-7 8 4 194.78 204.93 52.50 o
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-7 9 3 38.79 2.70 24.23 o
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-7 9 5 67.92 149.66 53.49 o
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-7 10 2 13.47 -2.14 15.45 o
-7 10 3 0.07 -4.02 17.62 o
-6 -9 3 284.28 183.57 33.35 o
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-6 -8 8 11.46 1.93 21.92 o
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-6 -7 8 569.65 671.89 77.99 o
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-6 -3 9 141.14 80.85 25.86 o
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-6 -2 1 2114.70 2178.81 85.64 o
-6 -2 2 2499.17 2161.90 75.27 o
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-6 -2 5 1019.13 1137.08 95.64 o
-6 -2 6 479.44 492.01 40.13 o
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-6 -2 8 43.25 58.40 18.71 o
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-6 -2 11 31.48 38.06 24.48 o
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-6 -1 2 165.67 187.14 20.78 o
-6 -1 3 3443.04 3064.26 106.25 o
-6 -1 4 3743.35 3773.42 110.91 o
-6 -1 5 2274.72 2053.53 113.62 o
-6 -1 6 2159.77 2394.60 71.10 o
-6 -1 7 1470.33 1319.40 53.84 o
-6 -1 8 1134.97 1179.95 64.45 o
-6 -1 9 344.02 274.24 31.27 o
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