#------------------------------------------------------------------------------ #$Date: 2021-09-11 04:57:41 +0300 (Sat, 11 Sep 2021) $ #$Revision: 269098 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/24/2022450.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_2022450 _cell_angle_alpha 90.000 _cell_angle_beta 99.832 _cell_angle_gamma 90.000 _cell_length_a 12.4204 _cell_length_b 13.5117 _cell_length_c 14.6614 _exptl_crystal_F_000 1152.00 _reflns_d_resolution_high 0.7674 _cod_data_source_file cu3175monoclinicsup3.hkl _cod_data_source_block monoclinic _shelx_title ' P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 356.51 _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 2 0 0 13549.63 14284.12 496.04 o 3 0 0 4919.46 5027.84 305.70 o 4 0 0 384.57 282.39 105.93 o 5 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201.49 o 8 2 0 15610.69 15642.62 749.63 o 9 2 0 19530.00 19272.28 891.03 o 10 2 0 8682.66 8607.65 630.24 o 11 2 0 98.61 164.05 106.82 o 12 2 0 1035.39 988.26 243.93 o 13 2 0 1605.50 1578.95 323.22 o 14 2 0 19.95 -145.47 145.47 o 15 2 0 795.59 261.23 195.90 o 1 3 0 2238.84 2319.07 117.26 o 2 3 0 3224.53 3374.41 115.58 o 3 3 0 833.09 900.74 57.14 o 4 3 0 95.13 115.15 30.00 o 5 3 0 1239.18 1299.49 95.65 o 6 3 0 596.47 473.11 80.51 o 7 3 0 118.00 88.30 76.43 o 8 3 0 6.92 -52.96 106.46 o 9 3 0 1101.29 1046.50 205.21 o 10 3 0 97.76 129.59 111.03 o 11 3 0 507.63 668.68 209.68 o 12 3 0 162.44 134.26 188.67 o 13 3 0 1037.72 913.79 248.00 o 14 3 0 0.40 245.90 189.57 o 15 3 0 13.18 -272.08 272.08 o 0 4 0 50140.49 49585.88 1329.63 o 1 4 0 29.35 22.88 21.66 o 2 4 0 2013.15 2071.43 112.02 o 3 4 0 14986.72 15068.41 345.76 o 4 4 0 15491.02 15668.11 301.52 o 5 4 0 454.43 395.66 59.71 o 6 4 0 23213.47 22123.11 533.09 o 7 4 0 6233.47 6064.29 421.69 o 8 4 0 5361.53 4918.29 411.53 o 9 4 0 12004.92 12487.04 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