#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/29/2012922.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_2012922_Fobs loop_ _publ_author_name 'G\"unesundefined, Minna' 'Valkonen, Jussi' _publ_section_title ; Cs[Ag~4~Zn~2~(SCN)~9~] ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i119 _journal_page_last i120 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.045 _cell_angle_beta 82.912 _cell_angle_gamma 82.828 _cell_length_a 7.5493 _cell_length_b 8.9297 _cell_length_c 10.5701 _exptl_crystal_F_000 564.00 _reflns_d_resolution_high 0.7101 _[local]_cod_data_source_file br1385Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' import in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 249.89 _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 0 130.29 106.27 11.35 o 2 0 0 6466.07 6669.45 102.02 o 3 0 0 181.32 214.82 4.93 o 4 0 0 1082.73 1085.92 19.30 o 5 0 0 13831.35 13869.46 289.07 o 6 0 0 615.47 830.54 33.91 o 7 0 0 861.11 797.86 27.74 o 8 0 0 3.75 16.12 19.21 o 9 0 0 28.76 44.81 37.38 o 10 0 0 95.38 104.05 26.31 o -10 1 0 30.01 63.88 23.35 o -9 1 0 88.70 125.66 22.17 o -8 1 0 273.95 227.80 21.29 o -7 1 0 366.21 395.21 23.41 o -6 1 0 67.15 46.17 12.11 o -5 1 0 53.95 51.80 7.51 o -4 1 0 9299.90 9590.63 157.72 o -3 1 0 85.40 69.85 4.99 o -2 1 0 2536.81 2443.94 54.70 o -1 1 0 9013.38 9184.76 326.28 o 0 1 0 6340.37 7031.68 292.26 o 1 1 0 2518.59 2508.13 111.56 o 2 1 0 516.74 557.19 12.63 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