#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/87/2208766.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_2208766_Fobs loop_ _publ_author_name 'Xu, Jian-Fu' 'Chen, Ping' 'Zhuang, Rubin' 'Huang, Chang-Cang' 'Zhang, Han-Hui' _publ_section_title ; catena-Poly[1,2-ethylenediammonium [[nitratouranyl]-\m~3~-phosphito] dihydrate] ; _journal_coeditor_code XU2007 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m763 _journal_page_last m764 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.522 _cell_angle_beta 100.469 _cell_angle_gamma 102.125 _cell_length_a 7.0106 _cell_length_b 7.6432 _cell_length_c 9.8462 _exptl_crystal_F_000 414.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file xu2007Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 195.77 _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 8491.21 9113.41 13.14 o 2 0 0 1227.83 1243.56 6.07 o 3 0 0 16497.39 17959.39 63.69 o 4 0 0 6671.44 6853.76 140.03 o 5 0 0 379.54 382.17 21.74 o 6 0 0 6481.62 6524.16 235.57 o 7 0 0 3814.62 3736.76 123.85 o 8 0 0 373.96 386.72 24.77 o -8 1 0 2982.01 2860.20 253.26 o -7 1 0 216.35 259.83 28.81 o -6 1 0 1875.32 1993.75 59.65 o -5 1 0 5300.69 5475.22 41.96 o -4 1 0 9486.54 9941.94 39.94 o -3 1 0 899.46 987.27 14.15 o -2 1 0 26871.91 27845.23 302.30 o -1 1 0 14364.20 15527.37 15.67 o 0 1 0 545.94 601.56 7.58 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3291.40 54.09 o 3 5 0 4355.89 4187.68 30.33 o 4 5 0 11.51 20.73 27.80 o 5 5 0 1037.79 921.05 35.39 o -8 6 0 862.12 895.77 62.18 o -7 6 0 53.59 52.07 23.76 o -6 6 0 4733.73 4840.80 308.87 o -5 6 0 2558.20 2581.66 88.97 o -4 6 0 5.13 38.42 19.21 o -3 6 0 3229.71 3252.48 72.79 o -2 6 0 5075.49 4802.89 31.85 o -1 6 0 3075.32 2952.71 54.60 o 0 6 0 4267.54 4174.03 33.36 o 2 6 0 1281.06 1374.49 22.75 o 3 6 0 266.20 281.57 30.33 o 4 6 0 1575.56 1391.17 34.37 o -7 7 0 1753.24 1857.76 126.88 o -6 7 0 229.48 255.28 40.95 o -5 7 0 86.28 106.16 18.20 o -4 7 0 2942.05 3087.17 68.75 o -3 7 0 2209.09 2129.73 36.40 o -2 7 0 606.41 596.51 31.85 o -1 7 0 3212.97 3020.95 31.85 o 0 7 0 2284.83 2298.07 41.96 o 1 7 0 642.84 654.64 32.86 o 2 7 0 747.17 788.60 34.88 o 3 7 0 2631.10 2850.59 43.47 o -6 8 0 2092.34 2222.24 98.58 o -5 8 0 2461.63 2433.54 30.33 o -4 8 0 45.75 24.77 17.69 o -3 8 0 833.58 794.67 27.80 o -2 8 0 2010.90 2022.56 59.15 o -1 8 0 1601.75 1528.17 43.47 o 0 8 0 291.54 241.64 29.83 o 1 8 0 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