#------------------------------------------------------------------------------ #$Date: 2021-08-11 05:15:44 +0300 (Wed, 11 Aug 2021) $ #$Revision: 268023 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243897.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_2243897 _cell_angle_alpha 97.660 _cell_angle_beta 104.759 _cell_angle_gamma 107.081 _cell_length_a 10.5308 _cell_length_b 12.1305 _cell_length_c 13.6154 _exptl_crystal_F_000 728.00 _reflns_d_resolution_high 0.7000 _cod_data_source_file jq20083sup4.hkl _cod_data_source_block 3 _shelx_title ' CC2106_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 168.36 _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 13416.44 12706.32 352.10 o 3 0 0 398.39 461.87 4.43 o 4 0 0 1349.01 1255.39 10.02 o 5 0 0 3982.01 3943.02 29.44 o 6 0 0 2733.57 2818.32 23.28 o 7 0 0 2020.19 1979.65 18.61 o 8 0 0 251.27 257.43 4.60 o 9 0 0 898.31 911.88 10.58 o 10 0 0 19.17 15.34 1.68 o 11 0 0 1.04 1.70 1.45 o 12 0 0 3.21 1.29 2.15 o 13 0 0 0.08 -2.28 2.28 o -13 1 0 408.55 420.55 9.62 o -12 1 0 284.68 288.61 6.81 o -11 1 0 839.08 829.63 10.50 o -10 1 0 479.39 466.14 6.82 o -9 1 0 1451.55 1472.39 15.04 o -8 1 0 982.77 1013.21 10.78 o -7 1 0 1792.30 1811.14 16.42 o -6 1 0 393.92 357.96 4.10 o -5 1 0 170.00 137.73 2.33 o -4 1 0 1085.00 1173.41 9.39 o -3 1 0 0.04 2.47 0.45 o -2 1 0 3560.19 3642.18 26.75 o -1 1 0 284.58 167.67 5.49 o 1 1 0 849.73 860.30 7.73 o 2 1 0 5911.72 6112.34 53.63 o 3 1 0 5532.32 5514.66 43.12 o 4 1 0 529.67 589.59 5.81 o 5 1 0 2230.48 2199.74 17.09 o 6 1 0 3068.69 3132.14 25.79 o 7 1 0 6092.52 5981.53 51.95 o 8 1 0 835.41 885.61 10.99 o 9 1 0 1665.18 1669.13 18.74 o 10 1 0 715.31 704.13 9.86 o 11 1 0 33.15 36.74 2.65 o 12 1 0 1094.91 1080.72 21.68 o 13 1 0 290.72 300.67 9.54 o -14 2 0 157.84 160.25 6.72 o -13 2 0 3.41 6.03 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