#------------------------------------------------------------------------------ #$Date: 2019-05-14 07:46:22 +0300 (Tue, 14 May 2019) $ #$Revision: 215130 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/29/2242932.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_2242932 _cell_angle_alpha 98.352 _cell_angle_beta 93.668 _cell_angle_gamma 103.578 _cell_length_a 8.1485 _cell_length_b 11.2132 _cell_length_c 14.2662 _exptl_crystal_F_000 632.00 _reflns_d_resolution_high 0.8130 _cod_data_source_file zl2755Isup3.hkl _cod_data_source_block I _shelx_title ' DCIAQCU IPDS -120DEGC' _shelx_refln_list_code 4 _shelx_f_calc_maximum 143.25 _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 2416.79 2425.23 29.23 o 3 0 0 948.33 928.60 14.07 o 4 0 0 190.26 158.41 7.72 o 5 0 0 277.57 237.36 10.33 o 6 0 0 499.87 453.36 12.73 o 7 0 0 601.66 592.94 23.26 o 8 0 0 435.60 426.37 33.85 o 9 0 0 109.46 109.50 10.28 o -9 1 0 394.62 366.38 11.65 o -8 1 0 1.28 3.59 8.03 o -7 1 0 71.33 67.16 11.11 o -6 1 0 76.57 79.46 8.37 o -5 1 0 77.28 78.47 7.11 o -4 1 0 986.22 843.00 24.41 o -3 1 0 711.60 629.03 15.89 o -2 1 0 4025.57 4178.65 44.70 o -1 1 0 2179.04 2045.46 33.54 o 2 1 0 6209.88 5942.93 56.30 o 3 1 0 3481.34 3234.03 73.84 o 4 1 0 3273.02 3260.71 29.11 o 5 1 0 1932.17 2028.56 20.06 o 6 1 0 219.73 195.95 9.80 o 7 1 0 274.37 271.77 12.19 o 8 1 0 867.80 889.18 25.05 o 9 1 0 700.80 671.14 33.12 o -9 2 0 842.17 788.44 14.04 o -8 2 0 967.93 843.37 70.65 o -7 2 0 1058.06 933.93 26.94 o -6 2 0 1507.44 1334.44 20.25 o -5 2 0 522.52 532.70 12.68 o -4 2 0 192.90 202.23 8.27 o -3 2 0 613.60 476.19 10.03 o -2 2 0 2.94 9.21 7.36 o -1 2 0 233.97 251.67 15.71 o 1 2 0 4645.06 4738.59 58.06 o 2 2 0 107.72 111.97 7.20 o 3 2 0 79.58 55.17 9.93 o 4 2 0 2565.24 2732.41 32.37 o 5 2 0 4215.12 4493.58 211.11 o 6 2 0 858.61 875.43 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