#------------------------------------------------------------------------------ #$Date: 2021-02-26 07:57:57 +0200 (Fri, 26 Feb 2021) $ #$Revision: 262254 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022334.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_2022334 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 7.8204 _cell_length_b 17.8350 _cell_length_c 20.3943 _exptl_crystal_F_000 1328.00 _reflns_d_resolution_high 0.8250 _cod_data_source_file zo30088csup6.hkl _cod_data_source_block 8c _shelx_title ' miwiPH105_F13343_P212121 in P212121 No19' _shelx_refln_list_code 4 _shelx_f_calc_maximum 291.06 _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 46046.52 48752.52 716.10 o 4 0 0 331.64 314.43 99.36 o 6 0 0 3728.34 3832.57 282.32 o 8 0 0 3191.18 2901.85 300.97 o 1 1 0 29649.61 29998.09 306.37 o 2 1 0 1689.64 1402.55 68.06 o 3 1 0 561.94 585.16 65.01 o 4 1 0 686.30 581.83 74.79 o 5 1 0 226.06 172.19 72.67 o 6 1 0 39.75 22.56 100.84 o 7 1 0 3.19 31.65 88.15 o 8 1 0 654.85 702.83 201.61 o 9 1 0 27.17 295.68 275.25 o 0 2 0 3127.39 2765.81 123.83 o 1 2 0 6605.71 6645.68 105.10 o 2 2 0 5391.56 5642.32 123.99 o 3 2 0 10879.68 10583.16 178.67 o 4 2 0 16093.38 15760.61 241.78 o 5 2 0 490.65 396.12 76.33 o 6 2 0 1732.69 1840.11 120.44 o 7 2 0 3029.10 3331.42 183.62 o 8 2 0 258.72 447.14 168.98 o 9 2 0 8.22 407.84 398.67 o 1 3 0 343.45 359.48 47.05 o 2 3 0 670.46 525.68 60.17 o 3 3 0 2929.84 3183.44 106.49 o 4 3 0 119.14 54.65 62.61 o 5 3 0 318.04 272.68 75.57 o 6 3 0 36.26 167.26 80.83 o 7 3 0 74.06 -22.89 91.81 o 8 3 0 1.47 69.09 167.88 o 9 3 0 1055.26 972.75 344.02 o 0 4 0 4386.79 4191.44 221.60 o 1 4 0 13476.44 14032.47 184.08 o 2 4 0 3670.56 3596.66 102.07 o 3 4 0 698.83 682.12 70.38 o 4 4 0 16770.57 16731.27 254.77 o 5 4 0 362.64 351.21 82.83 o 6 4 0 1049.80 1122.35 120.02 o 7 4 0 399.09 167.11 98.96 o 8 4 0 1387.66 1265.04 191.35 o 9 4 0 45.36 70.01 324.20 o 1 5 0 759.89 745.46 63.81 o 2 5 0 1337.25 1360.54 76.21 o 3 5 0 5764.86 6201.57 145.71 o 4 5 0 11.65 -62.86 62.86 o 5 5 0 318.36 398.50 82.66 o 6 5 0 906.19 965.16 105.78 o 7 5 0 247.80 136.11 112.10 o 8 5 0 92.17 237.33 147.33 o 9 5 0 224.18 -64.88 294.56 o 0 6 0 29686.76 27993.17 459.77 o 1 6 0 1745.11 1702.42 80.98 o 2 6 0 7686.20 7907.38 148.36 o 3 6 0 502.32 583.87 74.29 o 4 6 0 3408.90 3440.20 132.63 o 5 6 0 859.78 968.89 102.11 o 6 6 0 291.95 345.45 105.10 o 7 6 0 84.50 116.20 108.73 o 8 6 0 1055.68 1180.15 187.62 o 9 6 0 89.90 376.56 529.87 o 1 7 0 3316.60 3110.98 104.60 o 2 7 0 82.51 135.23 61.66 o 3 7 0 538.28 406.03 73.54 o 4 7 0 472.85 298.64 81.01 o 5 7 0 932.93 1011.45 127.70 o 6 7 0 54.80 -82.41 82.41 o 7 7 0 588.50 364.16 145.18 o 8 7 0 47.78 248.79 209.51 o 0 8 0 4024.97 3863.80 200.60 o 1 8 0 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