#------------------------------------------------------------------------------ #$Date: 2019-07-10 07:33:35 +0300 (Wed, 10 Jul 2019) $ #$Revision: 216918 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021716.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_2021716 _cell_angle_alpha 90.000 _cell_angle_beta 99.104 _cell_angle_gamma 90.000 _cell_length_a 15.1460 _cell_length_b 12.2411 _cell_length_c 17.6555 _exptl_crystal_F_000 1920.00 _reflns_d_resolution_high 0.8376 _cod_data_source_file lg32441sup2.hkl _cod_data_source_block 1 _shelx_title ' 1 OLEX2: imported from CIF' _shelx_refln_list_code 4 _shelx_f_calc_maximum 498.65 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' '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 4 0 0 34192.79 34686.12 561.16 o 6 0 0 30.27 56.47 9.53 o 8 0 0 48415.88 49062.74 562.12 o 10 0 0 38957.45 38096.56 393.85 o 12 0 0 36943.05 37334.25 368.75 o 14 0 0 170.98 259.62 21.43 o 16 0 0 3313.13 3036.48 135.73 o 3 1 0 21368.14 20348.17 132.31 o 5 1 0 24475.15 21868.48 240.39 o 7 1 0 414.39 228.74 8.91 o 9 1 0 34554.24 36072.19 227.90 o 11 1 0 10722.65 11207.36 92.14 o 13 1 0 893.21 945.28 37.29 o 15 1 0 8042.22 7853.49 110.69 o 17 1 0 7077.35 7188.76 161.48 o 0 2 0 4186.88 3441.92 54.25 o 2 2 0 20298.78 19252.38 106.52 o 4 2 0 90617.34 85789.54 516.07 o 6 2 0 6278.68 6520.19 67.14 o 8 2 0 11386.29 11030.09 80.69 o 10 2 0 233.28 345.92 17.77 o 12 2 0 9548.87 9974.39 95.73 o 14 2 0 6437.18 6292.53 95.12 o 16 2 0 2205.36 2444.39 75.76 o 1 3 0 1214.01 1080.87 18.21 o 3 3 0 9603.54 9168.94 57.54 o 5 3 0 4131.00 4496.16 36.80 o 7 3 0 22011.43 24341.06 131.51 o 9 3 0 15406.10 15304.69 108.54 o 11 3 0 7029.68 6989.91 75.53 o 13 3 0 2357.13 2388.60 51.52 o 15 3 0 7393.06 6855.90 105.54 o 17 3 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6734.49 66.55 o 14 5 1 2898.01 3160.20 77.42 o 16 5 1 6115.97 5487.26 139.36 o -15 6 1 636.50 497.06 43.09 o -13 6 1 16766.07 16675.30 171.05 o -11 6 1 2271.75 2345.23 48.55 o -9 6 1 1051.73 985.59 25.02 o -7 6 1 6426.26 6831.21 70.04 o -5 6 1 16.95 5.85 9.93 o -3 6 1 48726.00 49863.89 277.91 o -1 6 1 44958.61 44524.65 245.80 o 1 6 1 7249.13 6881.00 61.78 o 3 6 1 5132.21 4195.69 47.80 o 5 6 1 13148.68 14041.35 96.36 o 7 6 1 4349.20 4631.62 48.37 o 9 6 1 40000.46 39374.95 277.52 o 11 6 1 1812.08 1802.12 32.27 o 13 6 1 1383.15 1517.82 58.70 o 15 6 1 2716.76 2675.81 90.69 o -14 7 1 2195.51 1891.69 70.46 o -12 7 1 6608.81 6253.08 78.87 o -10 7 1 153.80 177.82 17.64 o -8 7 1 9364.10 9028.87 76.42 o -6 7 1 16792.68 17218.95 120.53 o -4 7 1 22198.21 24543.63 159.22 o -2 7 1 26509.49 26411.87 161.10 o 0 7 1 3505.96 4511.25 52.03 o 2 7 1 309.69 226.70 14.92 o 4 7 1 44826.34 46431.66 257.92 o 6 7 1 4094.86 4496.56 51.46 o 8 7 1 1703.91 1735.37 33.70 o 10 7 1 2633.03 2691.51 43.02 o 12 7 1 143.53 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