#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/57/2225734.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_2225734_Fobs loop_ _publ_author_name 'Ha, Kwang' _publ_section_title ; Diacridinium hexachloridoplatinate(IV) dihydrate ; _journal_coeditor_code YA2119 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m425 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.675 _cell_angle_beta 71.505 _cell_angle_gamma 77.862 _cell_length_a 7.4781 _cell_length_b 9.8973 _cell_length_c 10.7226 _exptl_crystal_F_000 390.00 _reflns_d_resolution_high 0.8111 _[local]_cod_data_source_file ya2119Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' (H-acridine)2[PtCl6] 2H2O' _shelx_refln_list_code 4 _shelx_f_calc_maximum 151.29 _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 7301.75 8655.66 139.18 o 2 0 0 471.41 589.75 40.82 o 3 0 0 5931.62 5999.12 117.83 o 4 0 0 3583.45 3550.55 138.63 o 5 0 0 272.32 174.62 19.46 o 6 0 0 2099.82 2057.08 124.04 o 7 0 0 807.46 936.32 95.01 o 8 0 0 66.75 132.00 55.92 o -8 1 0 200.56 280.03 67.03 o -7 1 0 786.55 891.94 92.94 o -6 1 0 1038.75 1099.39 90.42 o -5 1 0 228.05 172.69 21.50 o -4 1 0 337.76 631.75 56.45 o -3 1 0 1395.11 1113.38 65.02 o -2 1 0 10984.14 8907.34 220.30 o -1 1 0 5157.70 4579.51 113.12 o 0 1 0 4528.89 6421.07 151.46 o 1 1 0 9149.99 9500.08 153.42 o 2 1 0 5163.73 4693.89 90.78 o 3 1 0 4713.42 4909.93 102.44 o 4 1 0 3049.14 2637.13 99.69 o 5 1 0 618.70 521.23 34.17 o 6 1 0 1920.47 2118.87 128.32 o 7 1 0 1553.49 1654.10 123.25 o 8 1 0 477.57 567.69 85.63 o -8 2 0 221.75 187.21 57.73 o -7 2 0 1093.08 1213.85 107.03 o -6 2 0 851.43 981.76 87.17 o -5 2 0 265.18 251.47 48.46 o -4 2 0 564.84 500.02 33.23 o -3 2 0 2111.33 1736.41 80.46 o -2 2 0 242.11 79.73 17.49 o -1 2 0 3466.57 2748.38 66.30 o 0 2 0 4178.91 4557.39 68.79 o 1 2 0 4440.20 3857.65 49.58 o 2 2 0 496.34 182.84 27.03 o 3 2 0 3510.16 3145.55 76.65 o 4 2 0 451.60 318.45 25.72 o 5 2 0 203.93 115.84 20.11 o 6 2 0 1146.39 1177.51 56.95 o 7 2 0 1248.92 1333.68 109.67 o -8 3 0 289.61 349.86 76.18 o -7 3 0 1008.11 909.23 94.25 o -6 3 0 1190.93 1311.00 63.87 o -5 3 0 610.34 630.96 41.74 o -4 3 0 2733.63 2361.55 77.63 o -3 3 0 2803.53 2761.38 78.73 o -2 3 0 1479.86 1185.56 31.45 o -1 3 0 4987.72 4766.97 77.34 o 0 3 0 11115.82 12414.74 179.39 o 1 3 0 6326.81 5880.68 124.46 o 2 3 0 2036.47 1548.67 30.33 o 3 3 0 2633.46 2381.28 72.01 o 4 3 0 367.86 180.11 29.96 o 5 3 0 67.72 47.66 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493.41 39.61 o 8 5 0 122.94 177.02 32.94 o -6 6 0 744.88 841.61 118.44 o -5 6 0 184.04 264.27 36.51 o -4 6 0 23.84 47.37 27.47 o -3 6 0 855.35 884.94 37.08 o -2 6 0 587.42 559.99 33.68 o -1 6 0 576.07 524.36 27.81 o 0 6 0 1622.65 1546.54 46.61 o 1 6 0 1514.89 1355.98 41.91 o 2 6 0 259.25 191.83 18.21 o 3 6 0 2680.59 2608.42 67.22 o 4 6 0 941.78 811.06 35.51 o 5 6 0 26.86 40.81 17.81 o 6 6 0 352.10 484.46 85.38 o 7 6 0 1196.13 1385.34 59.85 o -6 7 0 275.60 324.10 65.07 o -5 7 0 409.81 491.33 72.93 o -4 7 0 1513.70 1410.06 113.96 o -3 7 0 843.06 1010.26 92.38 o -2 7 0 352.90 469.30 40.80 o -1 7 0 1800.32 1867.19 53.91 o 0 7 0 3353.10 3738.46 67.07 o 1 7 0 1900.90 1825.92 59.78 o 2 7 0 1593.71 1433.24 47.29 o 3 7 0 1675.66 1737.64 53.37 o 4 7 0 169.75 174.93 27.24 o 5 7 0 60.28 82.78 34.07 o 6 7 0 444.08 522.03 49.10 o 7 7 0 381.23 446.58 75.70 o -5 8 0 118.60 163.73 56.42 o -4 8 0 357.93 478.96 74.87 o -3 8 0 583.48 666.10 82.41 o -2 8 0 549.41 657.63 76.41 o -1 8 0 1174.34 1199.18 61.65 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642.49 683.09 46.75 o -3 -7 1 3603.22 3606.23 82.32 o -2 -7 1 1401.37 1479.77 54.27 o -1 -7 1 413.67 360.46 36.34 o 0 -7 1 3416.83 3605.65 135.14 o 1 -7 1 2214.94 2474.42 91.15 o 2 -7 1 493.55 540.34 45.22 o 3 -7 1 1005.78 1096.11 99.59 o 4 -7 1 1185.28 1179.75 108.03 o 5 -7 1 467.49 495.19 77.49 o 6 -7 1 819.96 840.08 100.63 o -7 -6 1 17.17 42.84 22.89 o -6 -6 1 896.39 1025.47 49.41 o -5 -6 1 1367.34 1515.97 53.29 o -4 -6 1 45.65 94.66 21.64 o -3 -6 1 692.18 692.41 33.72 o -2 -6 1 3364.99 3013.86 68.50 o -1 -6 1 1443.12 1137.32 59.41 o 0 -6 1 403.29 353.35 32.65 o 1 -6 1 934.73 868.42 49.70 o 2 -6 1 27.40 27.84 16.34 o 3 -6 1 372.37 427.73 27.24 o 4 -6 1 1902.46 2002.65 134.12 o 5 -6 1 715.75 765.91 88.25 o 6 -6 1 247.47 272.44 66.50 o -7 -5 1 776.02 1021.41 52.78 o -6 -5 1 690.88 870.86 45.26 o -5 -5 1 376.90 407.01 31.10 o -4 -5 1 1664.21 1621.88 73.75 o -3 -5 1 5101.64 5590.59 82.84 o -2 -5 1 3999.80 3846.66 77.06 o -1 -5 1 1794.11 1479.02 41.42 o 0 -5 1 1363.74 1255.11 54.28 o 1 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