#------------------------------------------------------------------------------ #$Date: 2017-08-26 09:12:19 +0300 (Sat, 26 Aug 2017) $ #$Revision: 199967 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242293.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_2242293 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 7.1700 _cell_length_b 8.9723 _cell_length_c 19.8379 _exptl_crystal_F_000 664.00 _reflns_d_resolution_high 0.7830 _cod_data_source_file zl2712Isup2.hkl _cod_data_source_block I _shelx_title ' LI0112' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.17 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' 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 15666.30 15019.22 88.31 o 4 0 0 7980.66 7789.65 47.80 o 6 0 0 1652.93 1687.36 61.01 o 8 0 0 137.48 125.60 58.85 o 1 1 0 3402.78 3356.58 41.99 o 2 1 0 153.15 157.33 17.12 o 3 1 0 37.67 32.94 12.79 o 4 1 0 175.85 225.44 13.71 o 5 1 0 143.21 143.74 20.09 o 6 1 0 266.73 283.34 21.95 o 7 1 0 479.99 494.40 24.22 o 8 1 0 105.09 136.71 21.36 o 9 1 0 23.13 53.58 25.96 o 0 2 0 3818.41 3705.01 55.28 o 1 2 0 535.45 549.90 25.74 o 2 2 0 13128.34 12988.30 131.82 o 3 2 0 470.33 460.30 16.91 o 4 2 0 261.82 269.74 15.21 o 5 2 0 147.10 164.04 17.38 o 6 2 0 495.42 487.82 28.75 o 7 2 0 254.05 245.57 19.42 o 8 2 0 122.63 114.27 20.16 o 9 2 0 70.33 101.08 24.88 o 1 3 0 3.37 5.34 16.91 o 2 3 0 1136.89 1210.50 35.58 o 3 3 0 28.40 37.13 16.53 o 4 3 0 1518.68 1476.60 28.01 o 5 3 0 341.78 314.78 18.17 o 6 3 0 80.53 67.28 19.50 o 7 3 0 2534.91 2528.49 28.21 o 8 3 0 9.81 51.67 20.08 o 0 4 0 19819.66 19214.44 770.86 o 1 4 0 6085.20 5977.19 58.68 o 2 4 0 8883.51 8922.84 209.52 o 3 4 0 4589.67 4507.47 140.64 o 4 4 0 8218.71 8239.34 247.68 o 5 4 0 276.74 263.59 34.28 o 6 4 0 202.21 217.73 17.56 o 7 4 0 289.22 362.26 33.53 o 8 4 0 1.13 27.52 22.68 o 1 5 0 29.43 46.78 15.06 o 2 5 0 3661.83 3709.41 60.42 o 3 5 0 124.05 142.85 16.86 o 4 5 0 753.14 722.91 28.83 o 5 5 0 36.10 39.13 22.20 o 6 5 0 76.83 98.86 24.93 o 7 5 0 409.74 397.25 23.60 o 8 5 0 184.13 236.57 26.22 o 0 6 0 345.87 384.36 26.14 o 1 6 0 2874.38 2939.25 29.64 o 2 6 0 347.46 390.34 18.96 o 3 6 0 645.72 687.61 19.45 o 4 6 0 1.05 54.35 26.26 o 5 6 0 41.20 49.24 20.39 o 6 6 0 20.05 15.85 21.91 o 7 6 0 310.33 321.53 24.76 o 1 7 0 98.36 101.15 21.77 o 2 7 0 15.13 20.61 19.72 o 3 7 0 112.10 128.29 19.01 o 4 7 0 2312.15 2345.27 29.36 o 5 7 0 245.01 250.79 22.19 o 6 7 0 537.72 533.80 28.89 o 7 7 0 51.66 42.74 32.21 o 0 8 0 170.74 177.41 32.32 o 1 8 0 3837.62 3754.76 44.44 o 2 8 0 1150.36 1147.02 23.95 o 3 8 0 5978.99 6047.70 35.88 o 4 8 0 71.37 96.28 20.27 o 5 8 0 12.54 34.52 21.29 o 6 8 0 1.61 14.18 28.70 o 1 9 0 0.10 -5.19 19.92 o 2 9 0 3.80 3.70 18.26 o 3 9 0 0.66 11.46 20.95 o 4 9 0 0.06 20.56 24.25 o 5 9 0 16.41 30.20 21.49 o 0 10 0 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700.44 706.58 24.23 o -8 2 1 2039.10 2023.63 25.25 o -7 2 1 1157.44 1125.74 49.50 o -6 2 1 3878.46 3794.73 28.20 o -5 2 1 222.75 256.61 14.97 o -4 2 1 6061.66 5994.48 83.94 o -3 2 1 1424.24 1439.99 21.79 o -2 2 1 687.75 625.50 19.10 o -1 2 1 6165.75 6202.95 125.85 o 0 2 1 27.34 47.91 20.72 o 1 2 1 6033.03 5981.16 99.16 o 2 2 1 719.89 646.03 17.96 o 3 2 1 1399.64 1419.94 21.69 o 4 2 1 6027.63 6046.55 117.53 o 5 2 1 206.64 207.41 17.33 o 6 2 1 3857.58 3877.66 69.28 o 7 2 1 1171.20 1158.19 19.38 o 8 2 1 2010.70 1977.13 29.09 o 9 2 1 681.69 675.18 25.91 o -8 3 1 40.62 49.32 22.28 o -7 3 1 455.71 478.08 21.02 o -6 3 1 263.96 289.62 19.99 o -5 3 1 298.23 283.78 15.49 o -4 3 1 239.22 250.34 16.57 o -3 3 1 1049.33 1074.15 20.69 o -2 3 1 116.19 112.21 16.83 o -1 3 1 4070.14 3990.30 46.50 o 0 3 1 3960.61 4029.23 56.41 o 1 3 1 4012.54 4000.87 82.36 o 2 3 1 111.07 108.37 17.04 o 3 3 1 1065.20 1100.00 18.66 o 4 3 1 226.73 246.57 17.15 o 5 3 1 308.11 320.30 26.00 o 6 3 1 257.19 259.00 16.09 o 7 3 1 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400.92 393.64 32.89 o 8 5 1 707.26 654.88 46.35 o -7 6 1 3323.27 3295.71 131.31 o -6 6 1 1014.22 1022.39 33.38 o -5 6 1 474.03 486.28 23.95 o -4 6 1 1836.75 1832.45 23.27 o -3 6 1 469.46 461.16 26.24 o -2 6 1 1120.10 1165.99 27.39 o -1 6 1 170.28 171.34 18.36 o 0 6 1 943.26 932.18 19.23 o 1 6 1 180.16 155.32 17.47 o 2 6 1 1170.16 1165.58 34.92 o 3 6 1 443.87 430.08 19.21 o 4 6 1 1806.77 1813.30 58.20 o 5 6 1 457.35 443.35 21.82 o 6 6 1 1046.34 1017.98 33.36 o 7 6 1 3317.55 3328.67 58.48 o -7 7 1 980.66 941.53 28.10 o -6 7 1 227.93 233.40 26.72 o -5 7 1 7.10 23.63 21.21 o -4 7 1 21.16 16.81 20.07 o -3 7 1 987.80 1015.40 20.24 o -2 7 1 855.36 842.86 23.15 o -1 7 1 132.49 131.25 25.04 o 0 7 1 18.32 28.95 18.45 o 1 7 1 127.25 125.17 18.24 o 2 7 1 854.44 829.99 29.38 o 3 7 1 983.18 996.41 23.33 o 4 7 1 21.35 27.33 17.35 o 5 7 1 6.86 26.22 21.38 o 6 7 1 228.87 231.69 27.87 o 7 7 1 979.37 927.22 42.63 o -6 8 1 533.09 520.73 65.44 o -5 8 1 1580.75 1574.74 26.24 o -4 8 1 975.57 986.81 19.95 o 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31.99 22.00 19.71 o -7 1 3 24.33 22.68 17.57 o -6 1 3 280.76 331.16 16.97 o -5 1 3 637.32 620.30 20.02 o -4 1 3 33.95 55.16 15.23 o -3 1 3 391.21 373.36 16.51 o -2 1 3 2557.63 2626.34 30.53 o -1 1 3 146.18 158.34 21.49 o 0 1 3 2913.74 2854.56 52.85 o 1 1 3 164.01 175.02 20.14 o 2 1 3 2568.73 2619.49 28.13 o 3 1 3 374.31 379.84 16.53 o 4 1 3 32.56 67.61 15.03 o 5 1 3 639.18 635.41 17.44 o 6 1 3 295.83 301.16 18.43 o 7 1 3 24.69 32.46 17.19 o 8 1 3 33.26 37.60 19.60 o 9 1 3 126.16 125.58 21.38 o -8 2 3 128.59 185.60 23.47 o -7 2 3 367.51 397.33 21.62 o -6 2 3 567.98 573.84 18.92 o -5 2 3 2055.10 2004.93 21.47 o -4 2 3 62.36 99.66 14.48 o -3 2 3 1420.80 1447.64 20.22 o -2 2 3 6465.38 6618.61 83.36 o -1 2 3 13010.14 13109.71 226.02 o 0 2 3 144.91 197.62 24.96 o 1 2 3 12971.73 12660.71 217.62 o 2 2 3 6417.87 6582.08 70.20 o 3 2 3 1405.80 1429.71 21.00 o 4 2 3 61.11 80.09 14.80 o 5 2 3 2100.88 2076.05 24.85 o 6 2 3 594.16 615.68 20.51 o 7 2 3 364.29 355.46 18.45 o 8 2 3 119.25 104.36 20.06 o 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