#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/54/2225446.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_2225446_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' 'Park, Ki-Min' _publ_section_title ; Redetermination of heptapotassium nonahydrogen bis[\a-hexamolybdoplatinate(IV)] undecahydrate ; _journal_coeditor_code BR2139 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i25 _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 67.792 _cell_angle_beta 68.542 _cell_angle_gamma 83.465 _cell_length_a 10.0430 _cell_length_b 12.1512 _cell_length_c 12.4498 _exptl_crystal_F_000 1296.00 _reflns_d_resolution_high 0.7828 _[local]_cod_data_source_file br2139Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' PTMO6 IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 586.70 _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, -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 19324.45 18974.81 308.86 o 2 0 0 168.55 173.95 6.19 o 3 0 0 40277.86 40270.04 527.70 o 4 0 0 2133.77 2134.87 39.43 o 5 0 0 1113.30 1116.59 23.62 o 6 0 0 94.31 102.54 9.13 o 7 0 0 3436.89 3537.07 62.31 o 8 0 0 32613.25 34252.77 550.45 o 9 0 0 5569.37 5554.86 133.04 o 10 0 0 2777.36 2891.05 89.98 o 11 0 0 10645.69 10756.96 741.82 o -11 1 0 5145.41 5256.27 286.27 o -10 1 0 177.66 203.37 19.34 o -9 1 0 22113.77 22341.28 537.49 o -8 1 0 41.34 101.51 12.39 o -7 1 0 103.21 122.38 11.06 o -6 1 0 319.83 322.23 13.77 o -5 1 0 4726.73 4652.56 79.50 o -4 1 0 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33301.87 33238.06 443.79 o 3 8 0 35875.97 35869.38 479.15 o 4 8 0 435.10 449.41 20.21 o 5 8 0 1292.73 1251.92 35.80 o 6 8 0 11129.22 11350.64 231.09 o 7 8 0 140.27 203.43 33.03 o 8 8 0 2825.79 2971.02 102.34 o 9 8 0 5595.01 5706.23 167.02 o -9 9 0 266.08 384.50 53.67 o -8 9 0 5665.21 5857.03 169.46 o -7 9 0 86.44 121.02 22.90 o -6 9 0 2112.27 2177.56 51.75 o -5 9 0 3672.59 3611.71 65.22 o -4 9 0 601.99 583.70 20.08 o -3 9 0 959.85 1020.77 25.17 o -2 9 0 8278.34 7980.13 109.65 o -1 9 0 12275.42 12640.65 159.23 o 0 9 0 71705.37 72368.41 941.62 o 1 9 0 5074.54 5113.19 78.97 o 2 9 0 427.37 418.00 17.69 o 3 9 0 21791.47 21989.03 337.44 o 4 9 0 266.03 304.70 19.17 o 5 9 0 1465.63 1469.80 49.18 o 6 9 0 6037.66 6169.27 139.14 o 7 9 0 1271.35 1387.15 71.40 o 8 9 0 5846.22 6206.55 207.82 o 9 9 0 111.52 122.27 24.77 o -8 10 0 70.62 96.03 21.89 o -7 10 0 4851.53 4815.81 145.59 o -6 10 0 13431.17 12824.18 426.65 o -5 10 0 50.68 106.57 15.32 o -4 10 0 4207.45 4061.82 77.78 o -3 10 0 15677.41 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