#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/04/2200484.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_2200484_Fobs loop_ _publ_author_name 'Guzm\'an-Miralles, Carmen' 'Castillo, Oscar' 'Luque, Antonio' 'Beitia, Javier I.' 'Rom\'an, Pascual' _publ_section_title ; \m-Oxalato-bis[aqua(diethylenetriamine)nickel(II)] dinitrate ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m407 _journal_page_last m409 _journal_volume 57 _journal_year 2001 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _exptl_crystal_F_000 596.00 _[local]_cod_data_source_file dn6002Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I in space group P 21/n ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 167.65 _shelx_f_squared_multiplier 100.000 #END Tags that were not found in dictionaries 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 _refln_sint/lambda 2 0 0 1225361.00 1212567.25 7116.80 o 0.09014 4 0 0 515.47 30.81 322.05 o 0.18028 6 0 0 272694.66 264365.44 2163.87 o 0.27042 8 0 0 294865.69 269612.56 2291.09 o 0.36056 10 0 0 173937.06 173185.83 2666.81 o 0.45070 12 0 0 1645.80 835.93 756.41 o 0.54084 14 0 0 5871.87 6591.00 503.94 o 0.63098 16 0 0 5225.69 4228.34 489.03 o 0.72111 1 1 0 30970.04 38735.89 481.08 o 0.08244 2 1 0 2026.81 1598.30 130.21 o 0.11354 3 1 0 290127.19 311018.25 2344.77 o 0.15181 4 1 0 258314.50 246584.34 1503.87 o 0.19304 5 1 0 211195.48 205317.80 3793.97 o 0.23568 6 1 0 301149.41 304437.22 5023.51 o 0.27909 7 1 0 80608.72 83362.03 1253.39 o 0.32295 8 1 0 144.43 222.65 222.65 o 0.36711 9 1 0 10616.38 10602.65 336.95 o 0.41146 10 1 0 14961.99 14686.86 386.65 o 0.45595 11 1 0 2229.31 2764.22 336.95 o 0.50055 12 1 0 187882.75 191114.03 3654.82 o 0.54522 13 1 0 154.68 199.79 967.13 o 0.58996 14 1 0 67310.98 65247.97 903.52 o 0.63474 15 1 0 187.46 330.00 1087.40 o 0.67956 16 1 0 1484.02 1347.82 1073.48 o 0.72441 17 1 0 1012.51 1278.24 1117.22 o 0.76929 0 2 0 747427.81 813224.06 11864.99 o 0.13806 1 2 0 236348.34 251209.28 6764.94 o 0.14523 2 2 0 322067.28 347735.41 5951.87 o 0.16488 3 2 0 17219.01 20905.12 301.17 o 0.19324 4 2 0 20.52 49.70 324.03 o 0.22707 5 2 0 47151.43 48702.39 1603.27 o 0.26428 6 2 0 149470.56 147157.81 1509.84 o 0.30362 7 2 0 43451.37 39474.41 757.40 o 0.34438 8 2 0 246616.53 252382.13 2333.83 o 0.38609 9 2 0 6679.90 6542.29 303.16 o 0.42848 10 2 0 90227.60 92283.88 2330.85 o 0.47137 11 2 0 32038.55 30855.72 546.68 o 0.51463 12 2 0 22479.36 21718.18 540.72 o 0.55818 13 2 0 985.58 850.84 508.91 o 0.60195 14 2 0 9170.02 10161.33 530.78 o 0.64590 15 2 0 2709.39 2847.72 1772.24 o 0.69000 16 2 0 9133.62 7912.97 569.54 o 0.73421 17 2 0 117.20 0.00 1158.97 o 0.77852 1 3 0 240430.72 264464.81 6506.51 o 0.21194 2 3 0 720883.81 779410.25 15884.59 o 0.22586 3 3 0 76617.84 80213.14 1451.19 o 0.24733 4 3 0 224127.38 229687.92 2407.39 o 0.27457 5 3 0 21607.91 21693.33 442.32 o 0.30606 6 3 0 365981.69 371669.16 3062.41 o 0.34061 7 3 0 14826.57 14559.63 348.88 o 0.37739 8 3 0 22554.75 20981.65 371.74 o 0.41580 9 3 0 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