#------------------------------------------------------------------------------ #$Date: 2019-07-10 07:33:35 +0300 (Wed, 10 Jul 2019) $ #$Revision: 216918 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021717.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_2021717 _cell_angle_alpha 90.000 _cell_angle_beta 92.174 _cell_angle_gamma 90.000 _cell_length_a 15.2909 _cell_length_b 14.2702 _cell_length_c 15.4064 _exptl_crystal_F_000 2016.00 _reflns_d_resolution_high 0.7275 _cod_data_source_file lg32442sup3.hkl _cod_data_source_block 2 _shelx_title ' 2 OLEX2: imported from CIF' _shelx_refln_list_code 4 _shelx_f_calc_maximum 518.00 _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 111349.88 122734.49 822.08 o 6 0 0 37492.29 37010.08 510.36 o 8 0 0 145773.78 148947.03 1387.87 o 10 0 0 43235.62 43595.47 473.01 o 12 0 0 21450.57 20583.80 313.62 o 14 0 0 9385.07 9943.65 179.59 o 16 0 0 10687.65 10917.03 259.18 o 18 0 0 5239.98 5485.87 203.78 o 20 0 0 3041.14 3433.24 249.86 o 3 1 0 46672.96 45444.23 197.24 o 5 1 0 62483.49 57330.66 295.95 o 7 1 0 12238.43 11732.08 103.39 o 9 1 0 52392.44 57074.70 354.44 o 11 1 0 11402.76 11675.95 118.90 o 13 1 0 12497.22 12201.93 105.17 o 15 1 0 10109.02 10535.23 169.24 o 17 1 0 7745.21 7472.65 162.90 o 19 1 0 3139.60 3049.49 119.09 o 2 2 0 11351.00 11737.74 104.55 o 4 2 0 141677.39 143546.53 552.56 o 6 2 0 13094.89 12698.23 89.33 o 8 2 0 6649.96 8123.12 75.56 o 10 2 0 19436.02 19612.99 128.47 o 12 2 0 10743.28 9950.84 95.51 o 14 2 0 1754.31 2035.75 59.00 o 16 2 0 5671.92 5767.68 134.84 o 18 2 0 3486.73 3348.60 116.86 o 20 2 0 857.07 1070.36 173.68 o 1 3 0 8578.83 9292.79 61.64 o 3 3 0 4742.93 4526.47 46.07 o 5 3 0 31357.48 30937.06 165.09 o 7 3 0 845.51 1352.41 22.39 o 9 3 0 407.81 502.72 17.86 o 11 3 0 1041.17 737.80 36.95 o 13 3 0 791.73 764.13 51.96 o 15 3 0 19.63 26.60 45.24 o 17 3 0 651.85 646.45 70.26 o 19 3 0 795.95 963.69 123.94 o 0 4 0 22133.69 21236.30 160.65 o 2 4 0 6511.26 6550.54 51.34 o 4 4 0 5223.99 5800.08 42.79 o 6 4 0 16341.54 16364.94 142.04 o 8 4 0 5359.68 4350.48 62.53 o 10 4 0 269.72 234.10 20.19 o 12 4 0 592.45 709.21 40.46 o 14 4 0 2635.02 2525.76 89.81 o 16 4 0 535.59 588.88 80.26 o 18 4 0 36.94 4.35 74.33 o 1 5 0 28293.99 25908.68 161.66 o 3 5 0 30571.90 30506.92 239.93 o 5 5 0 8680.34 7517.55 53.33 o 7 5 0 8717.10 8282.05 150.67 o 9 5 0 20435.98 21934.99 311.79 o 11 5 0 4135.21 4291.04 78.62 o 13 5 0 6614.92 6346.58 151.62 o 15 5 0 7700.22 7893.62 157.58 o 17 5 0 3280.54 3144.76 136.95 o 19 5 0 1707.35 1868.16 147.73 o 0 6 0 63904.42 68038.11 445.96 o 2 6 0 31137.11 32695.71 204.01 o 4 6 0 125440.55 120742.15 587.57 o 6 6 0 55704.72 55301.69 397.03 o 8 6 0 11943.61 12423.87 132.76 o 10 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92.74 o 13 9 0 3659.44 3736.44 140.04 o 15 9 0 2980.12 2858.80 134.51 o 17 9 0 1560.34 1459.83 113.76 o 0 10 0 16832.17 17722.67 279.95 o 2 10 0 194.52 110.15 41.83 o 4 10 0 4704.62 5170.55 132.05 o 6 10 0 163.95 185.11 41.58 o 8 10 0 2451.42 2744.97 97.28 o 10 10 0 1830.79 2045.14 136.92 o 12 10 0 24.82 -49.54 78.95 o 14 10 0 12.98 -46.22 98.65 o 16 10 0 391.23 348.42 88.09 o 1 11 0 163.78 179.94 46.02 o 3 11 0 5639.31 6280.81 117.91 o 5 11 0 2603.83 2869.69 81.84 o 7 11 0 1151.76 997.54 73.71 o 9 11 0 1389.34 1018.89 114.97 o 11 11 0 1087.36 916.20 163.71 o 13 11 0 1091.83 766.45 113.09 o 15 11 0 550.73 256.79 127.58 o 17 11 0 585.46 239.33 107.47 o 0 12 0 11360.91 12150.45 424.79 o 2 12 0 14730.27 15015.55 345.05 o 4 12 0 14985.02 15409.31 197.77 o 6 12 0 9290.30 9336.61 187.56 o 8 12 0 10049.41 9020.84 386.84 o 10 12 0 5764.46 5571.04 212.42 o 12 12 0 3786.07 3966.62 194.89 o 14 12 0 2729.72 2681.97 181.70 o 1 13 0 20122.80 20890.38 246.54 o 3 13 0 10644.81 10691.44 169.69 o 5 13 0 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