#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2013004.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_2013004_Fobs loop_ _publ_author_name 'El Maadi, Aicha' 'Boukhari, Ali' 'Holt, Elizabeth M.' _publ_section_title ; Dipotassium tristrontium dimanganese tris(diphosphate) ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i141 _journal_page_last i143 _journal_volume 58 _journal_year 2002 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.190 _cell_angle_gamma 90.000 _cell_length_a 13.2850 _cell_length_b 5.3940 _cell_length_c 13.7500 _exptl_crystal_F_000 920.00 _reflns_d_resolution_high 0.7101 _[local]_cod_data_source_file ta1391Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' AICHA8 in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 362.70 _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+1/2, -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 -1 0 728.62 765.74 49.29 o 2 -1 0 200.91 205.55 54.59 o 3 -1 0 667.04 652.09 64.26 o 4 -1 0 13.60 96.44 63.00 o 5 -1 0 1698.32 1605.27 96.13 o 6 -1 0 6715.92 6313.60 221.55 o 7 -1 0 168.97 407.60 86.22 o 8 -1 0 773.60 989.43 112.33 o 9 -1 0 9.50 28.99 106.18 o 10 -1 0 6258.50 5832.68 240.20 o 11 -1 0 1648.96 1624.74 161.63 o 12 -1 0 28.94 266.39 131.48 o 13 -1 0 588.16 321.72 156.67 o 14 -1 0 529.40 424.31 175.36 o 15 -1 0 2245.79 2357.96 207.76 o 16 -1 0 441.02 353.43 197.24 o 17 -1 0 882.07 855.54 214.07 o 18 -1 0 18.40 288.31 205.88 o 2 0 0 7786.34 9439.63 207.23 o 3 0 0 7482.51 8686.91 253.48 o 4 0 0 20996.81 20138.28 411.46 o 5 0 0 49481.11 48941.75 710.80 o 6 0 0 23597.51 25645.77 595.12 o 7 0 0 5451.66 4951.14 193.72 o 8 0 0 426.07 340.14 116.87 o 9 0 0 9833.29 10245.11 473.21 o 10 0 0 5.67 222.52 131.31 o 11 0 0 2933.59 2688.13 176.91 o 12 0 0 2354.46 2530.92 184.65 o 13 0 0 3065.27 2985.82 211.82 o 14 0 0 407.02 217.83 183.16 o 15 0 0 9.51 5.70 172.65 o 16 0 0 803.33 578.60 198.49 o 17 0 0 1935.25 2236.07 228.27 o 18 0 0 126.80 -130.60 228.02 o 1 1 0 744.59 818.41 41.14 o 2 1 0 104.76 135.18 64.54 o 3 1 0 559.35 660.72 80.81 o 4 1 0 1.87 26.54 77.45 o 5 1 0 1753.76 1944.15 105.08 o 6 1 0 6350.23 7260.27 338.78 o 7 1 0 312.90 164.13 104.58 o 8 1 0 1034.21 1047.11 123.77 o 9 1 0 31.77 -96.24 124.47 o 10 1 0 6754.37 6256.88 248.14 o 11 1 0 1481.02 1406.91 172.18 o 12 1 0 49.96 -76.28 143.66 o 13 1 0 522.57 462.16 164.65 o 14 1 0 534.82 540.51 180.76 o 15 1 0 2449.90 2210.60 222.04 o 16 1 0 340.10 217.20 202.74 o 17 1 0 1041.51 666.99 224.39 o 18 1 0 28.57 -213.91 229.00 o 0 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1058.92 1456.28 220.03 o 16 3 0 165.13 265.49 213.86 o 0 4 0 79438.14 66790.11 1238.35 o 1 4 0 4493.41 4549.85 146.67 o 2 4 0 1838.12 1876.56 173.59 o 3 4 0 2197.43 2087.82 183.67 o 4 4 0 6456.46 6438.26 282.56 o 5 4 0 14539.82 14312.62 634.57 o 6 4 0 6111.07 6327.90 253.62 o 7 4 0 1579.23 1577.21 186.88 o 8 4 0 69.20 -134.96 177.14 o 9 4 0 2781.88 3306.73 213.88 o 10 4 0 1052.35 981.46 204.32 o 11 4 0 906.72 1007.81 201.44 o 12 4 0 650.92 597.94 215.39 o 13 4 0 953.88 1262.45 222.96 o 14 4 0 1074.26 926.52 232.89 o 15 4 0 3.50 -52.79 219.80 o 1 5 0 1125.92 1144.24 183.85 o 2 5 0 34.65 -62.98 176.56 o 3 5 0 3147.56 3504.06 227.37 o 4 5 0 1163.42 1209.08 200.41 o 5 5 0 3296.32 3582.12 229.17 o 6 5 0 705.01 947.20 188.43 o 7 5 0 932.43 1342.27 207.27 o 8 5 0 1251.31 1127.96 221.37 o 9 5 0 689.14 238.43 216.58 o 10 5 0 3477.06 3613.12 270.02 o 11 5 0 397.70 405.00 224.65 o 12 5 0 148.50 276.33 218.23 o 13 5 0 144.90 208.15 232.63 o 0 6 0 11542.77 12077.68 457.05 o 1 6 0 499.62 401.99 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