#------------------------------------------------------------------------------ #$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $ #$Revision: 1088 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225222.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_2225222_Fobs loop_ _publ_author_name 'Znovjyak, Kateryna O.' 'Ovchynnikov, Vladimir A.' 'Moroz, Olesia V.' 'Shishkina, Svitlana V.' 'Amirkhanov, Vladimir M.' _publ_section_title ; Bis{N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide}dinitratodioxidouranium(VI) ; _journal_coeditor_code DN2539 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m322 _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 71.905 _cell_angle_beta 84.391 _cell_angle_gamma 71.475 _cell_length_a 9.8292 _cell_length_b 10.3436 _cell_length_c 10.4475 _exptl_crystal_F_000 530.00 _reflns_d_resolution_high 0.7108 _[local]_cod_data_source_file dn2539Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I P-1 R = 0.04' _shelx_refln_list_code 4 _shelx_f_calc_maximum 180.53 _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 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644.11 54.41 o 8 8 0 406.20 407.95 39.04 o 9 8 0 684.06 647.75 45.88 o 10 8 0 806.53 769.35 28.22 o 11 8 0 176.39 168.57 14.02 o 12 8 0 55.45 54.26 11.16 o 13 8 0 191.31 183.57 16.68 o -7 9 0 68.57 58.14 9.75 o -6 9 0 382.13 415.43 26.34 o -5 9 0 818.03 794.11 43.78 o -4 9 0 218.49 208.01 11.58 o -3 9 0 180.81 187.95 15.87 o -2 9 0 730.02 755.37 67.69 o -1 9 0 1268.30 1229.75 110.12 o 0 9 0 1851.99 1872.96 213.67 o 1 9 0 463.18 441.90 54.59 o 2 9 0 468.93 475.65 60.66 o 3 9 0 1507.15 1472.40 153.72 o 4 9 0 1507.63 1506.39 134.73 o 5 9 0 729.51 765.69 49.43 o 6 9 0 416.32 468.46 31.26 o 7 9 0 1109.51 1098.86 113.17 o 8 9 0 607.14 583.91 57.08 o 9 9 0 225.27 228.18 18.75 o 10 9 0 141.92 133.62 11.88 o 11 9 0 272.34 289.69 21.66 o 12 9 0 175.27 173.05 16.26 o -6 10 0 45.93 39.59 8.70 o -5 10 0 189.07 194.25 13.91 o -4 10 0 669.09 729.99 33.52 o -3 10 0 435.84 415.39 28.05 o -2 10 0 91.23 83.33 8.87 o -1 10 0 504.88 547.72 48.52 o 0 10 0 1438.41 1420.11 124.13 o 1 10 0 1181.93 1174.96 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31.89 o 5 12 0 251.06 293.43 23.81 o 6 12 0 383.38 409.48 35.74 o 7 12 0 283.31 238.18 20.63 o 8 12 0 123.66 97.84 14.94 o 9 12 0 124.58 101.57 17.30 o 10 12 0 168.09 167.01 14.15 o 0 13 0 254.03 311.08 31.37 o 1 13 0 146.08 169.67 15.63 o 2 13 0 33.42 39.59 10.01 o 3 13 0 315.49 341.34 31.45 o 4 13 0 462.67 469.04 31.61 o 5 13 0 162.54 199.65 14.78 o 6 13 0 39.41 36.41 8.70 o 7 13 0 189.48 177.93 27.73 o 8 13 0 288.62 273.06 25.55 o -7 -13 1 91.00 102.52 20.05 o -6 -13 1 198.15 243.09 24.66 o -5 -13 1 383.28 421.64 22.99 o -4 -13 1 226.33 250.35 35.56 o -3 -13 1 51.59 53.06 9.70 o -2 -13 1 108.74 119.79 13.94 o -1 -13 1 352.37 390.77 25.96 o -9 -12 1 61.10 63.07 14.19 o -8 -12 1 413.80 351.80 23.40 o -7 -12 1 249.55 221.09 21.03 o -6 -12 1 71.53 77.60 10.28 o -5 -12 1 185.74 191.02 14.44 o -4 -12 1 510.25 529.36 33.14 o -3 -12 1 545.28 581.66 58.06 o -2 -12 1 115.04 115.51 11.69 o -1 -12 1 102.97 110.12 12.08 o 0 -12 1 546.25 569.45 22.51 o 1 -12 1 400.81 411.00 42.34 o 2 -12 1 124.80 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