#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:24:51 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181232 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/10/2231036.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_2231036_Fobs loop_ _publ_author_name 'Suleiman Gwaram, Nura' 'Khaledi, Hamid' 'Mohd Ali, Hapipah' _publ_section_title ; Hexachloridobis{{\m~2~}-2-(piperazin-1-yl)-N-[1-(2-pyridyl)ethylidene]ethanamine}trizinc dihydrate ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1091 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 72.570 _cell_angle_beta 86.834 _cell_angle_gamma 88.936 _cell_length_a 7.6060 _cell_length_b 14.8850 _cell_length_c 16.7153 _exptl_crystal_F_000 928.00 _reflns_d_resolution_high 0.7828 _cod_data_source_file ci5190Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sad in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 260.08 _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 3 0 0 1240.05 1871.97 40.94 o 4 0 0 311.65 291.40 22.49 o 5 0 0 947.78 936.42 29.96 o 6 0 0 200.10 263.80 33.59 o 7 0 0 1.18 17.57 46.10 o 8 0 0 150.68 176.40 32.96 o 9 0 0 15.35 32.83 34.40 o -9 1 0 3.10 -23.91 32.80 o -8 1 0 240.36 304.23 38.97 o -7 1 0 1311.82 1329.63 131.87 o -6 1 0 2324.22 2284.49 61.47 o -5 1 0 12.35 -13.63 17.89 o -4 1 0 2355.65 2114.37 57.54 o -3 1 0 647.78 347.37 28.59 o -1 1 0 20123.30 22713.66 233.12 o 1 1 0 12293.46 13920.61 142.22 o 2 1 0 830.91 1264.16 21.56 o 3 1 0 1215.45 769.92 20.40 o 4 1 0 15.59 -11.67 13.70 o 5 1 0 143.99 155.20 15.86 o 6 1 0 85.54 81.33 22.59 o 7 1 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60.04 o 0 11 0 2101.26 2318.05 60.86 o 1 11 0 8281.13 7887.26 130.12 o 2 11 0 75.66 38.66 33.24 o 3 11 0 1265.70 1477.07 53.61 o 4 11 0 266.25 246.59 41.46 o 5 11 0 1600.05 1710.39 78.62 o 6 11 0 203.51 216.38 65.04 o 7 11 0 35.37 94.35 42.88 o -7 12 0 1.24 18.58 57.89 o -6 12 0 152.15 227.29 61.47 o -5 12 0 38.26 77.19 49.32 o -4 12 0 529.37 486.95 29.57 o -3 12 0 6104.53 6228.93 92.14 o -2 12 0 456.43 600.78 37.24 o -1 12 0 1383.40 1447.25 49.53 o 0 12 0 1228.14 1140.77 46.24 o 1 12 0 650.94 652.89 98.28 o 2 12 0 8488.45 8111.31 137.69 o 3 12 0 1733.35 1707.74 61.83 o 4 12 0 559.58 570.37 53.61 o 5 12 0 274.88 318.78 45.74 o 6 12 0 475.59 473.16 53.61 o 7 12 0 1.67 -7.15 40.74 o -6 13 0 4.13 32.88 53.61 o -5 13 0 3.79 42.88 50.03 o -4 13 0 455.61 459.07 40.31 o -3 13 0 8.73 39.38 22.52 o -2 13 0 92.93 101.72 27.58 o -1 13 0 489.43 485.96 38.37 o 0 13 0 2283.61 2099.95 61.66 o 1 13 0 194.93 186.15 31.09 o 2 13 0 6.21 30.88 27.64 o 3 13 0 746.21 826.73 89.34 o 4 13 0 593.55 704.74 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