#------------------------------------------------------------------------------ #$Date: 2018-03-24 07:51:40 +0200 (Sat, 24 Mar 2018) $ #$Revision: 207092 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242430.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_2242430 _cell_angle_alpha 91.682 _cell_angle_beta 117.608 _cell_angle_gamma 99.138 _cell_length_a 14.9964 _cell_length_b 15.1070 _cell_length_c 16.0026 _exptl_crystal_F_000 1164.00 _reflns_d_resolution_high 0.8329 _cod_data_source_file nk2246Isup2.hkl _cod_data_source_block I _shelx_title ' cu_5472f in P-1 No2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 296.15 _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 4511.22 4060.40 224.05 o 3 0 0 23162.17 20568.86 1973.35 o 4 0 0 985.25 560.07 57.23 o 5 0 0 1614.33 2116.18 145.90 o 6 0 0 1141.92 1169.09 83.56 o 7 0 0 141.62 165.48 21.45 o 8 0 0 84.92 177.30 14.48 o 9 0 0 5871.95 5976.23 205.50 o 10 0 0 173.84 192.62 14.02 o 11 0 0 1345.39 1515.91 56.69 o 12 0 0 18.57 34.48 13.94 o 13 0 0 112.82 136.99 15.81 o 14 0 0 685.71 488.79 44.44 o 15 0 0 930.49 924.93 64.35 o -15 1 0 42.91 60.87 21.13 o -14 1 0 194.91 130.14 18.81 o -13 1 0 1.94 15.75 12.13 o -12 1 0 1577.48 1751.34 73.07 o -11 1 0 432.52 515.11 28.18 o -10 1 0 452.54 458.10 28.59 o -9 1 0 389.63 494.28 24.74 o -8 1 0 4251.44 4305.35 171.03 o -7 1 0 873.79 1088.89 115.20 o -6 1 0 1458.22 1695.44 127.83 o -5 1 0 5921.75 5910.57 570.96 o -4 1 0 414.94 445.38 26.15 o -3 1 0 4151.49 4072.67 276.93 o -2 1 0 41.48 75.40 8.09 o -1 1 0 6177.53 6561.68 933.21 o 0 1 0 4826.14 4857.73 268.96 o 1 1 0 0.44 14.34 2.04 o 3 1 0 0.62 12.31 4.98 o 4 1 0 478.30 577.79 42.26 o 5 1 0 7484.66 7980.34 541.35 o 6 1 0 10011.61 11321.75 771.53 o 7 1 0 2104.78 2361.09 135.36 o 8 1 0 59.74 50.17 11.76 o 9 1 0 3508.22 3790.50 132.11 o 10 1 0 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