#------------------------------------------------------------------------------ #$Date: 2021-01-28 08:23:22 +0200 (Thu, 28 Jan 2021) $ #$Revision: 261295 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300673.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_2300673 _cell_angle_alpha 90.000 _cell_angle_beta 112.450 _cell_angle_gamma 90.000 _cell_length_a 13.6088 _cell_length_b 11.9627 _cell_length_c 17.0791 _exptl_crystal_F_000 2536.00 _reflns_d_resolution_high 0.7570 _cod_data_source_file iu5009K2Cu3SO44sup2.hkl _cod_data_source_block K2Cu3SO44 _shelx_title ' mo_sil_0m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 911.52 _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' '-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 2 0 0 36393.87 34866.46 904.83 o 4 0 0 23042.05 19406.91 360.52 o 6 0 0 75165.24 72463.62 1035.96 o 8 0 0 1666.29 2183.61 106.39 o 10 0 0 17845.93 17360.10 359.02 o 12 0 0 20692.13 21250.65 440.01 o 14 0 0 3678.18 3644.61 379.12 o 16 0 0 1056.57 1381.67 160.41 o 3 1 0 34777.98 34619.97 438.50 o 5 1 0 1903.30 1436.59 60.30 o 7 1 0 7672.51 8204.65 134.69 o 9 1 0 11014.29 10599.48 174.39 o 11 1 0 3488.53 3360.62 107.87 o 13 1 0 5173.61 4810.03 147.00 o 15 1 0 45.76 57.79 54.65 o 0 2 0 14687.92 13943.94 389.20 o 2 2 0 6877.85 7091.78 167.56 o 4 2 0 562.64 625.96 35.91 o 6 2 0 13968.94 14371.89 202.86 o 8 2 0 1646.37 1703.84 65.17 o 10 2 0 3410.37 3430.73 99.01 o 12 2 0 2235.79 2277.51 100.87 o 14 2 0 5184.29 5483.85 313.15 o 16 2 0 773.73 703.88 115.21 o 1 3 0 1760.96 1539.15 37.77 o 3 3 0 179354.11 177059.34 1797.32 o 5 3 0 94630.97 93406.08 1142.72 o 7 3 0 45660.43 43289.05 535.44 o 9 3 0 1907.17 2007.51 108.72 o 11 3 0 20619.96 19585.42 501.41 o 13 3 0 1117.62 900.13 91.00 o 15 3 0 3172.03 3278.82 235.29 o 0 4 0 617059.56 595695.38 6507.86 o 2 4 0 223318.22 218879.75 2618.78 o 4 4 0 1887.41 2303.47 85.48 o 6 4 0 3009.18 2907.42 101.82 o 8 4 0 16569.62 16165.62 265.71 o 10 4 0 4135.44 4142.16 221.89 o 12 4 0 94.99 119.35 54.31 o 14 4 0 12274.42 13241.64 309.18 o 16 4 0 3415.70 3165.77 163.58 o 1 5 0 1351.38 1761.58 75.36 o 3 5 0 5781.15 5963.99 110.01 o 5 5 0 750.78 718.48 67.22 o 7 5 0 21174.39 20638.11 323.13 o 9 5 0 6433.23 6080.25 257.51 o 11 5 0 14017.08 13736.18 358.91 o 13 5 0 4019.59 3668.17 313.59 o 15 5 0 773.42 657.91 85.15 o 0 6 0 71649.28 73980.52 1737.62 o 2 6 0 35138.93 33217.97 396.18 o 4 6 0 26011.66 25550.35 352.78 o 6 6 0 25427.85 26144.89 403.95 o 8 6 0 33121.34 32573.68 646.94 o 10 6 0 9614.11 9532.50 194.25 o 12 6 0 9105.65 8331.54 239.28 o 14 6 0 147.28 110.40 43.98 o 1 7 0 16994.04 17068.59 197.89 o 3 7 0 3296.44 3820.82 113.07 o 5 7 0 6328.55 6348.94 137.39 o 7 7 0 3860.94 4280.33 247.45 o 9 7 0 7464.80 7516.99 518.01 o 11 7 0 758.08 740.68 138.89 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