#------------------------------------------------------------------------------ #$Date: 2019-05-14 07:46:22 +0300 (Tue, 14 May 2019) $ #$Revision: 215130 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/29/2242931.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_2242931 _cell_angle_alpha 90.000 _cell_angle_beta 104.305 _cell_angle_gamma 90.000 _cell_length_a 11.5047 _cell_length_b 23.4096 _cell_length_c 13.4115 _exptl_crystal_F_000 1560.00 _reflns_d_resolution_high 0.8258 _cod_data_source_file zl2755HL1sup2.hkl _cod_data_source_block HL1 _shelx_title ' HL1 CC -50DEGC' _shelx_refln_list_code 4 _shelx_f_calc_maximum 545.46 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -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 7 1 -15 19.08 41.28 29.58 o 6 2 -15 9.07 -26.39 26.39 o 8 2 -15 5.89 -28.51 28.51 o 7 3 -15 27.93 -30.64 35.11 o 6 4 -15 11.72 18.09 28.09 o 7 5 -15 1.64 82.35 30.64 o 6 6 -15 181.51 174.08 40.86 o 7 7 -15 53.73 58.52 33.62 o 6 8 -15 238.05 297.53 42.78 o 6 0 -14 1696.82 1578.90 79.02 o 8 0 -14 897.19 876.70 63.02 o 7 1 -14 163.12 111.30 35.75 o 9 1 -14 636.30 535.99 57.69 o 6 2 -14 122.18 94.91 35.33 o 8 2 -14 338.72 317.97 46.40 o 7 3 -14 55.99 86.82 31.92 o 9 3 -14 241.30 250.71 42.78 o 6 4 -14 50.72 54.69 32.13 o 8 4 -14 27.79 104.70 32.56 o 7 5 -14 27.57 -27.03 27.03 o 9 5 -14 63.37 95.55 34.05 o 6 6 -14 378.18 457.39 48.53 o 8 6 -14 36.19 -7.24 27.45 o 7 7 -14 40.25 14.26 32.98 o 6 8 -14 171.27 152.38 36.60 o 8 8 -14 26.74 38.52 37.03 o 7 9 -14 122.26 192.81 38.31 o 6 10 -14 33.41 127.68 32.56 o 7 11 -14 51.52 158.33 36.18 o 6 12 -14 379.69 535.29 56.61 o 7 1 -13 40.13 26.39 31.07 o 9 1 -13 228.57 221.55 38.95 o 6 2 -13 45.92 98.95 27.24 o 8 2 -13 95.29 72.14 31.50 o 10 2 -13 3.23 -25.75 32.77 o 7 3 -13 1898.71 2229.45 88.19 o 9 3 -13 78.89 76.40 30.86 o 6 4 -13 1230.36 1162.88 66.01 o 8 4 -13 45.96 -26.60 28.30 o 10 4 -13 45.17 -21.07 28.52 o 7 5 -13 283.03 276.25 42.14 o 9 5 -13 27.15 -29.37 29.37 o 6 6 -13 43.66 79.38 29.37 o 8 6 -13 48.13 35.54 30.86 o 10 6 -13 223.28 230.91 43.42 o 7 7 -13 185.80 209.84 37.03 o 9 7 -13 80.55 107.47 33.20 o 6 8 -13 132.53 94.91 34.05 o 8 8 -13 83.41 115.13 34.47 o 7 9 -13 70.64 69.59 29.58 o 9 9 -13 330.36 279.66 47.67 o 6 10 -13 51.16 90.23 29.15 o 8 10 -13 43.54 8.30 32.13 o 7 11 -13 49.40 42.35 35.75 o 6 12 -13 829.21 892.85 62.38 o 8 12 -13 367.45 299.04 44.06 o 7 13 -13 242.58 293.91 45.12 o 6 14 -13 34.39 -32.35 32.35 o 6 0 -12 589.91 505.15 43.64 o 8 0 -12 1207.93 1221.65 68.14 o 10 0 -12 681.59 749.10 58.75 o 7 1 -12 657.71 649.92 53.01 o 9 1 -12 1486.58 1560.63 77.52 o 11 1 -12 980.59 937.19 74.94 o 6 2 -12 384.78 266.27 40.44 o 8 2 -12 1021.83 1099.73 65.58 o 10 2 -12 637.12 700.55 56.20 o 7 3 -12 273.72 266.04 41.71 o 9 3 -12 884.17 1012.55 62.38 o 11 3 -12 6.98 -28.52 29.79 o 6 4 -12 842.96 730.90 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244.53 276.24 45.33 o 7 7 -10 52.92 42.99 28.52 o 9 7 -10 258.77 305.62 36.82 o 11 7 -10 45.07 93.42 30.43 o 6 8 -10 20.83 11.28 25.54 o 8 8 -10 465.34 534.69 45.13 o 10 8 -10 78.00 27.88 30.22 o 12 8 -10 21.45 -12.77 33.84 o 7 9 -10 1305.36 1348.70 65.81 o 9 9 -10 100.79 48.31 31.50 o 11 9 -10 438.27 487.63 49.17 o 6 10 -10 298.08 292.01 36.40 o 8 10 -10 37.73 67.03 27.88 o 10 10 -10 465.71 447.62 49.59 o 7 11 -10 16.44 8.72 25.11 o 9 11 -10 525.85 517.67 50.23 o 11 11 -10 270.89 349.04 45.12 o 6 12 -10 68.95 32.35 25.54 o 8 12 -10 359.61 316.49 41.08 o 10 12 -10 90.09 79.59 34.69 o 7 13 -10 304.42 234.76 39.37 o 9 13 -10 120.58 87.47 34.26 o 6 14 -10 274.39 177.29 40.65 o 8 14 -10 189.79 159.40 37.24 o 10 14 -10 2.51 26.39 27.88 o 7 15 -10 305.82 396.51 42.99 o 9 15 -10 31.69 111.30 34.05 o 6 16 -10 141.27 188.34 32.13 o 8 16 -10 37.13 -2.55 29.37 o 7 17 -10 404.10 424.41 49.38 o 9 17 -10 37.29 5.11 30.43 o 6 18 -10 179.61 272.41 40.44 o 8 18 -10 15.94 -1.06 34.69 o 7 19 -10 74.24 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356.13 388.01 41.93 o 13 1 -6 21.27 4.68 28.09 o 6 2 -6 543.53 533.53 33.64 o 8 2 -6 583.80 672.52 41.94 o 10 2 -6 315.23 377.15 38.74 o 12 2 -6 225.71 37.03 38.52 o 7 3 -6 1076.87 1063.41 49.20 o 9 3 -6 279.17 288.39 34.05 o 11 3 -6 37.52 11.70 27.66 o 13 3 -6 6.05 67.03 34.47 o 6 4 -6 637.93 690.48 37.47 o 8 4 -6 2.46 -12.56 21.07 o 10 4 -6 28.27 14.47 24.68 o 12 4 -6 14.63 84.69 27.66 o 7 5 -6 1.02 -15.32 17.24 o 9 5 -6 20.11 64.48 22.98 o 11 5 -6 8.67 1.49 27.45 o 13 5 -6 18.32 93.63 31.71 o 6 6 -6 7.21 -7.02 16.60 o 8 6 -6 545.46 552.21 41.51 o 10 6 -6 133.92 75.55 30.43 o 12 6 -6 90.26 46.60 29.37 o 7 7 -6 237.70 249.87 28.52 o 9 7 -6 0.54 12.34 22.77 o 11 7 -6 25.53 -24.68 24.68 o 13 7 -6 105.22 118.11 37.24 o 6 8 -6 124.33 185.36 25.54 o 8 8 -6 68.11 18.30 21.71 o 10 8 -6 37.38 50.43 20.22 o 12 8 -6 27.36 42.77 32.13 o 7 9 -6 13.39 63.20 19.79 o 9 9 -6 15.06 -22.13 22.13 o 11 9 -6 7.39 58.52 27.24 o 13 9 -6 196.16 204.52 51.93 o 6 10 -6 470.81 485.56 38.32 o 8 10 -6 127.34 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