#------------------------------------------------------------------------------ #$Date: 2019-11-26 07:55:57 +0200 (Tue, 26 Nov 2019) $ #$Revision: 242994 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/18/2021837.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_2021837 _cell_angle_alpha 91.609 _cell_angle_beta 95.586 _cell_angle_gamma 110.427 _cell_length_a 10.3943 _cell_length_b 13.6413 _cell_length_c 15.8517 _exptl_crystal_F_000 896.00 _reflns_d_resolution_high 0.7201 _cod_data_source_file ky31852asup3.hkl _cod_data_source_block 2a _shelx_title ' 18118 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 263.02 _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 1 0 0 1680.08 2149.74 73.92 o 2 0 0 10664.34 12128.75 199.02 o 3 0 0 21301.71 19924.96 297.75 o 4 0 0 1989.95 2083.44 55.35 o 5 0 0 370.75 691.79 32.15 o 6 0 0 12197.09 10842.39 242.38 o 7 0 0 2129.42 2346.48 131.27 o 8 0 0 1200.33 1462.04 53.91 o 9 0 0 5770.42 5364.20 136.62 o 10 0 0 4406.05 4191.46 170.33 o 11 0 0 2745.18 2314.16 73.35 o 12 0 0 1165.44 1258.20 46.83 o 13 0 0 1562.44 1753.43 91.49 o -13 1 0 737.54 708.96 80.11 o -12 1 0 2715.53 2690.66 161.52 o -11 1 0 2343.20 2661.94 94.58 o -10 1 0 4013.09 3739.64 109.13 o -9 1 0 2379.67 2062.63 64.84 o -8 1 0 8901.55 7461.80 351.56 o -7 1 0 5099.58 4954.84 188.57 o -6 1 0 3159.22 3230.84 70.51 o -5 1 0 30071.21 30509.00 498.32 o -4 1 0 9698.44 11413.91 190.26 o -3 1 0 8943.79 9414.91 124.16 o -2 1 0 28815.57 27832.05 910.01 o -1 1 0 8939.44 11392.90 416.87 o 1 1 0 47221.52 45699.58 1296.11 o 2 1 0 4262.96 4203.83 61.50 o 3 1 0 4661.83 5535.72 107.76 o 4 1 0 25633.34 25338.85 464.32 o 5 1 0 2965.76 2995.51 67.22 o 6 1 0 1909.27 2242.35 56.74 o 7 1 0 9141.65 8153.93 169.74 o 8 1 0 361.08 405.19 75.15 o 9 1 0 3128.78 2992.71 90.43 o 10 1 0 3198.67 3382.41 102.05 o 11 1 0 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