#------------------------------------------------------------------------------ #$Date: 2020-12-05 07:34:49 +0200 (Sat, 05 Dec 2020) $ #$Revision: 259556 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/36/2243696.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_2243696 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 7.4528 _cell_length_b 17.1306 _cell_length_c 27.9030 _exptl_crystal_F_000 1680.00 _reflns_d_resolution_high 0.7689 _cod_data_source_file hb7954Vsup6.hkl _cod_data_source_block V _shelx_title ' ha6cg' _shelx_refln_list_code 4 _shelx_f_calc_maximum 407.64 _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 14570.90 17415.41 129.94 o 4 0 0 26408.60 26146.10 224.49 o 6 0 0 1632.08 1506.53 114.88 o 8 0 0 815.58 797.69 130.28 o 1 1 0 38237.97 35219.21 129.10 o 2 1 0 6198.48 6200.28 80.88 o 3 1 0 30692.78 30062.68 224.21 o 4 1 0 58.79 40.34 48.56 o 5 1 0 2713.37 2784.35 80.15 o 6 1 0 1671.26 1790.71 84.02 o 7 1 0 306.10 345.92 80.34 o 8 1 0 88.70 57.06 121.72 o 9 1 0 356.41 245.04 86.10 o 1 2 0 1198.78 935.38 35.78 o 2 2 0 1829.15 1892.19 41.70 o 3 2 0 4928.73 4827.19 67.30 o 4 2 0 2347.05 1999.66 116.37 o 5 2 0 321.06 179.60 61.97 o 6 2 0 946.63 891.61 147.79 o 7 2 0 305.40 257.79 79.43 o 8 2 0 34.74 31.60 82.74 o 9 2 0 33.63 10.40 87.10 o 1 3 0 191.43 220.86 33.99 o 2 3 0 3953.62 3650.99 50.72 o 3 3 0 3306.78 2997.03 58.42 o 4 3 0 53.82 63.09 48.61 o 5 3 0 851.50 855.24 66.76 o 6 3 0 70.94 68.42 68.01 o 7 3 0 200.10 190.17 79.36 o 8 3 0 59.08 74.43 82.65 o 9 3 0 85.22 -8.44 82.66 o 0 4 0 21950.66 20625.23 81.06 o 1 4 0 28867.22 29393.77 296.04 o 2 4 0 1307.77 1331.30 48.50 o 3 4 0 11531.32 12527.98 182.80 o 4 4 0 4303.14 4433.71 81.57 o 5 4 0 3277.58 3286.49 107.99 o 6 4 0 312.44 194.75 72.47 o 7 4 0 115.16 118.95 74.97 o 8 4 0 510.82 712.65 90.60 o 9 4 0 207.47 216.23 87.33 o 1 5 0 110.51 100.54 18.73 o 2 5 0 31217.36 33215.15 268.76 o 3 5 0 7912.44 8610.80 68.25 o 4 5 0 4534.14 4517.14 83.21 o 5 5 0 3855.93 4093.31 90.22 o 6 5 0 1048.20 1073.68 76.80 o 7 5 0 101.62 119.76 72.13 o 8 5 0 8.17 3.24 55.87 o 9 5 0 8.65 44.80 88.82 o 0 6 0 2171.53 1817.20 38.83 o 1 6 0 21269.80 20706.23 165.29 o 2 6 0 781.07 869.34 23.99 o 3 6 0 666.90 915.64 80.17 o 4 6 0 184.06 139.81 36.73 o 5 6 0 11433.79 11433.57 102.92 o 6 6 0 175.92 282.80 75.90 o 7 6 0 7.75 67.96 52.25 o 8 6 0 2.91 24.06 55.51 o 9 6 0 181.93 296.93 126.58 o 1 7 0 47.59 66.13 15.35 o 2 7 0 9382.79 8423.11 153.58 o 3 7 0 595.84 499.00 29.09 o 4 7 0 3418.25 3481.49 51.52 o 5 7 0 22.73 66.03 45.79 o 6 7 0 644.24 771.53 55.30 o 7 7 0 4.59 21.77 48.77 o 8 7 0 74.60 35.28 62.64 o 0 8 0 326.04 239.78 45.81 o 1 8 0 42.10 71.69 15.78 o 2 8 0 235.47 229.80 21.97 o 3 8 0 398.91 347.83 28.09 o 4 8 0 40.06 -0.03 31.55 o 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