#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/23/2202389.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_2202389_Fobs loop_ _publ_author_name 'Meyer, Gerd' 'Cesur, Nazife' 'Pantenburg, Ingo' _publ_section_title ; Diamminehexabromodiscandium(III) ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i145 _journal_page_last i146 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.067 _cell_angle_beta 80.040 _cell_angle_gamma 77.815 _cell_length_a 7.3924 _cell_length_b 9.5777 _cell_length_c 9.5510 _exptl_crystal_F_000 544.00 _reflns_d_resolution_high 0.7204 _[local]_cod_data_source_file bt6360Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' n11m in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 374.18 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_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 0 205.28 176.13 141.76 o 2 0 0 104.90 129.26 91.81 o 3 0 0 575.81 653.28 90.62 o 4 0 0 6433.15 6342.06 259.62 o 5 0 0 1343.54 1207.86 76.46 o 6 0 0 18703.13 18428.47 871.77 o 7 0 0 759.31 755.83 200.06 o 8 0 0 3.78 12.16 86.02 o 9 0 0 16.94 -20.55 195.08 o -9 1 0 334.48 312.13 66.42 o -8 1 0 5.06 -18.66 79.22 o -7 1 0 140.54 163.31 89.82 o -6 1 0 310.23 325.79 73.78 o -5 1 0 599.35 476.44 87.63 o -4 1 0 94.97 147.48 88.90 o -3 1 0 3657.21 3803.63 103.00 o -2 1 0 0.82 75.05 88.78 o -1 1 0 5132.98 5298.79 106.83 o 0 1 0 0.30 -12.24 142.30 o 1 1 0 11109.49 11760.82 251.24 o 2 1 0 12.95 -9.40 89.15 o 3 1 0 47.30 93.30 76.92 o 4 1 0 225.16 266.18 84.35 o 5 1 0 876.75 818.00 73.04 o 6 1 0 869.20 745.41 84.87 o 7 1 0 753.18 860.35 99.31 o 8 1 0 47.70 78.79 72.38 o 9 1 0 34.76 -13.75 88.02 o 10 1 0 87.88 118.95 83.12 o -9 2 0 46.18 52.39 74.38 o -8 2 0 283.76 251.66 63.09 o -7 2 0 221.78 256.84 58.38 o -6 2 0 133.67 121.06 60.37 o -5 2 0 173.97 128.07 56.87 o -4 2 0 27745.73 27361.55 600.74 o -3 2 0 1378.68 1325.69 65.13 o -2 2 0 1421.33 1419.65 75.09 o -1 2 0 3533.76 3713.68 81.90 o 0 2 0 146.27 156.06 88.53 o 1 2 0 6487.34 6488.03 198.91 o 2 2 0 35649.62 38040.00 834.39 o 3 2 0 4336.99 4107.76 89.81 o 4 2 0 0.27 11.49 71.52 o 5 2 0 3141.27 3016.49 177.99 o 6 2 0 6612.05 6662.83 93.56 o 7 2 0 333.50 302.00 70.34 o 8 2 0 389.56 313.17 82.93 o 9 2 0 4.76 -26.85 113.56 o 10 2 0 20.40 -95.86 112.27 o -9 3 0 49.78 36.07 75.07 o -8 3 0 66.10 -0.43 85.77 o -7 3 0 626.53 585.77 70.60 o -6 3 0 440.68 531.49 70.60 o -5 3 0 5.93 84.47 56.14 o -4 3 0 703.92 636.21 55.49 o -3 3 0 23.42 53.64 61.28 o -2 3 0 28.18 56.60 50.52 o -1 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