#------------------------------------------------------------------------------ #$Date: 2023-12-20 05:03:28 +0200 (Wed, 20 Dec 2023) $ #$Revision: 288434 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022979.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_2022979 _cell_angle_alpha 90.000 _cell_angle_beta 89.630 _cell_angle_gamma 90.000 _cell_length_a 11.7007 _cell_length_b 15.4167 _cell_length_c 17.0480 _exptl_crystal_F_000 2112.00 _reflns_d_resolution_high 0.6931 _cod_data_source_file yz20446csup16.hkl _cod_data_source_block 6c _shelx_title ' Christa in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 882.63 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -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 3 0 0 5855.57 6288.19 71.73 o 4 0 0 456717.19 442932.28 2270.71 o 5 0 0 9529.07 9761.15 147.78 o 6 0 0 215645.75 215738.66 1477.39 o 7 0 0 7078.54 7301.99 161.03 o 8 0 0 34367.77 34310.03 359.38 o 9 0 0 1102.68 1052.54 62.08 o 10 0 0 288.89 214.32 79.75 o 11 0 0 3425.70 3715.92 149.20 o 12 0 0 3143.78 3140.94 162.59 o 13 0 0 14546.67 15520.56 388.67 o 14 0 0 1684.74 2189.39 185.15 o 15 0 0 20745.11 21685.77 786.24 o 16 0 0 2140.83 2323.83 631.35 o 2 1 0 11982.88 12281.87 73.50 o 3 1 0 132607.11 135661.11 484.16 o 4 1 0 49377.45 49069.74 261.10 o 5 1 0 171766.84 171755.38 855.53 o 6 1 0 88489.31 87785.74 495.02 o 7 1 0 172457.64 172337.38 885.12 o 8 1 0 74162.79 73322.75 450.14 o 9 1 0 114897.40 113339.98 648.36 o 10 1 0 49175.35 49818.84 382.26 o 11 1 0 57926.99 58720.38 413.41 o 12 1 0 22704.16 22974.81 283.66 o 13 1 0 38033.69 38830.21 465.71 o 14 1 0 1983.81 2178.28 145.53 o 15 1 0 16400.17 16838.26 401.35 o 16 1 0 205.85 13.11 204.88 o 0 2 0 7312.99 7567.41 106.00 o 1 2 0 278455.91 278166.94 1097.14 o 2 2 0 11730.81 12000.39 69.46 o 3 2 0 521801.59 511018.03 1655.76 o 4 2 0 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