#------------------------------------------------------------------------------ #$Date: 2022-07-28 04:45:34 +0300 (Thu, 28 Jul 2022) $ #$Revision: 276974 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109026.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_2109026 _cell_angle_alpha 90.000 _cell_angle_beta 91.259 _cell_angle_gamma 90.000 _cell_length_a 7.9341 _cell_length_b 8.0140 _cell_length_c 15.3431 _exptl_crystal_F_000 572.00 _reflns_d_resolution_high 0.7001 _cod_data_source_file lo5101Isup2.hkl _cod_data_source_block I _shelx_title ' 19gsgm05_1 = GM5-1 = 19GSG035 in P21, Mo, -173 K, 13/12/2019' _shelx_refln_list_code 4 _shelx_f_calc_maximum 190.72 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' 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 1 -11 0 441.30 409.92 32.27 o 2 -11 0 1443.52 1414.53 52.18 o 3 -11 0 2649.84 2647.81 112.91 o 0 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6237.25 104.40 o 3 -6 0 3223.54 3141.97 62.99 o 4 -6 0 1254.20 1242.89 36.80 o 5 -6 0 565.04 523.31 24.24 o 6 -6 0 1882.71 1778.05 48.03 o 7 -6 0 2626.07 2683.18 78.13 o 8 -6 0 2567.39 2481.71 76.92 o 9 -6 0 1376.02 1246.90 67.79 o 1 -5 0 3002.43 2988.50 53.50 o 2 -5 0 3684.19 3607.34 66.30 o 3 -5 0 6273.91 6249.32 102.61 o 4 -5 0 5678.64 5522.51 97.50 o 5 -5 0 8208.19 8020.30 124.53 o 6 -5 0 4232.19 4003.90 72.96 o 7 -5 0 2473.51 2403.26 63.86 o 8 -5 0 733.79 746.36 39.63 o 9 -5 0 27.35 33.36 14.21 o 10 -5 0 253.56 237.80 27.70 o 0 -4 0 17049.18 16523.51 309.40 o 1 -4 0 15159.13 15062.71 209.53 o 2 -4 0 4964.86 4907.24 78.60 o 3 -4 0 1225.16 1176.79 29.64 o 4 -4 0 17.83 21.42 4.87 o 5 -4 0 438.70 467.30 17.26 o 6 -4 0 945.08 888.21 24.28 o 7 -4 0 2567.92 2583.45 66.03 o 8 -4 0 3413.00 3458.89 75.35 o 9 -4 0 4563.78 4783.94 96.50 o 10 -4 0 1729.39 1766.08 62.29 o 1 -3 0 255.83 237.20 8.27 o 2 -3 0 9283.27 9391.02 127.11 o 3 -3 0 12489.36 12609.87 167.40 o 4 -3 0 10606.51 10543.52 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