#------------------------------------------------------------------------------ #$Date: 2021-06-12 07:49:53 +0300 (Sat, 12 Jun 2021) $ #$Revision: 266412 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243852.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_2243852 _cell_angle_alpha 83.626 _cell_angle_beta 86.186 _cell_angle_gamma 72.288 _cell_length_a 13.6406 _cell_length_b 14.0568 _cell_length_c 18.5907 _exptl_crystal_F_000 1712.00 _reflns_d_resolution_high 0.7900 _cod_data_source_file ex2045Isup2.hkl _cod_data_source_block I _shelx_title ' exp_50_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 356.87 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 2 0 0 9515.57 9662.62 321.13 o 3 0 0 4947.86 5210.21 99.92 o 4 0 0 6442.45 5625.12 116.06 o 5 0 0 11132.63 10299.37 198.01 o 6 0 0 783.08 819.00 16.35 o 7 0 0 86.92 132.60 5.58 o 8 0 0 36.99 42.00 4.45 o 9 0 0 1186.90 1099.77 22.53 o 10 0 0 10548.61 10112.34 171.57 o 11 0 0 11078.51 11291.66 189.19 o 12 0 0 572.51 548.52 15.35 o 13 0 0 738.78 727.97 17.88 o 14 0 0 4.10 25.23 13.93 o 15 0 0 1251.22 1348.56 87.80 o 16 0 0 1283.09 1386.87 53.95 o -16 1 0 537.16 600.12 31.12 o -15 1 0 126.73 170.96 18.36 o -14 1 0 312.63 297.67 19.49 o -13 1 0 475.87 501.38 15.10 o -12 1 0 147.22 113.44 8.57 o -11 1 0 1840.15 1912.26 37.67 o -10 1 0 547.71 520.76 14.72 o -9 1 0 9576.01 9785.59 166.19 o -8 1 0 3255.54 3190.48 65.51 o -7 1 0 1042.58 1156.27 26.38 o -6 1 0 1924.69 1852.91 38.77 o -5 1 0 7730.68 8413.94 162.91 o -4 1 0 7635.37 8385.92 162.04 o -3 1 0 14022.63 14414.36 338.57 o -2 1 0 860.80 938.96 23.74 o 2 1 0 79547.43 78690.24 1834.22 o 3 1 0 26117.50 26707.14 441.39 o 4 1 0 1013.04 1010.87 22.07 o 5 1 0 4746.39 4411.51 109.68 o 6 1 0 4483.20 4977.24 77.88 o 7 1 0 2530.47 2650.78 38.68 o 8 1 0 1492.22 1509.69 25.52 o 9 1 0 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