#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/37/2103753.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_2103753_Fobs loop_ _publ_author_name 'Yasui, Masanori' 'Ishikawa, Yoshimitsu' 'Ishida, Takayuki' 'Nogami, Takashi' 'Iwasaki, Fujiko' _publ_section_title ; Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 772 _journal_page_last 779 _journal_volume 57 _journal_year 2001 _space_group_IT_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _exptl_crystal_F_000 4496.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file oa00362bsup5.hkl _[local]_cod_data_source_block 2b #BEGIN Tags that were not found in dictionaries: _shelx_refln_list_code 4 _shelx_F_calc_maximum 657.28 _shelx_F_squared_multiplier 1.000 #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 0 2 0 74183.67 14386.66 117.58 o 2 2 0 6359.65 5709.04 129.95 o -2 4 0 137974.69 128344.86 752.74 o 0 4 0 8517.71 8805.45 181.68 o 2 4 0 432016.91 376951.00 1275.92 o 4 4 0 43341.60 37650.02 461.60 o -4 6 0 8881.13 11476.48 294.30 o -2 6 0 1200.49 1029.84 74.93 o 0 6 0 96672.25 93466.47 1039.91 o 2 6 0 5327.52 5979.34 203.07 o 4 6 0 85423.05 76629.84 740.06 o 6 6 0 4383.00 7603.22 260.57 o -6 8 0 34852.41 43248.13 667.84 o -4 8 0 12731.55 11522.89 328.94 o -2 8 0 134769.56 137001.69 1062.44 o 0 8 0 25516.78 27453.59 422.66 o 2 8 0 14299.74 15952.61 365.39 o 4 8 0 44087.17 36974.26 575.70 o 6 8 0 326.28 280.95 51.39 o 8 8 0 65516.95 65409.41 878.16 o -8 10 0 497.63 592.00 73.58 o -6 10 0 3683.32 4417.27 244.72 o -4 10 0 7455.79 7179.20 293.40 o -2 10 0 252292.16 252290.36 1615.73 o 0 10 0 184289.55 182230.42 1848.91 o 2 10 0 21636.39 22875.08 490.35 o 4 10 0 4695.09 4207.41 228.65 o 6 10 0 123420.16 126784.15 1236.98 o 8 10 0 63344.54 64312.57 938.38 o 10 10 0 63495.78 60869.89 974.82 o -10 12 0 4682.21 4250.20 298.83 o -8 12 0 9776.50 9109.37 388.03 o -6 12 0 149.10 43.69 111.61 o -4 12 0 42217.32 41116.70 746.17 o -2 12 0 63755.86 65464.65 913.25 o 0 12 0 160733.38 161253.23 1468.91 o 2 12 0 752.43 843.75 74.93 o 4 12 0 58659.25 61417.98 901.93 o 6 12 0 12019.75 11584.24 420.17 o 8 12 0 15277.44 15521.12 501.00 o 10 12 0 80217.90 77114.09 1160.24 o 12 12 0 58853.79 57051.65 1065.38 o -12 14 0 111.11 139.23 128.14 o -10 14 0 17421.25 18009.57 606.27 o -8 14 0 2412.70 2381.59 235.90 o -6 14 0 33631.50 33729.90 767.45 o -4 14 0 41.88 19.70 65.43 o -2 14 0 18436.24 17646.44 531.33 o 0 14 0 68471.50 70898.87 728.27 o 2 14 0 12320.02 12467.60 443.27 o 4 14 0 4817.38 4876.84 297.02 o 6 14 0 971.96 951.28 92.82 o 8 14 0 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1351.35 1378.70 122.25 o 6 18 0 6511.82 6668.69 403.88 o 8 18 0 41.94 31.24 134.02 o 10 18 0 5941.74 5682.32 414.52 o 12 18 0 1064.74 1320.52 133.12 o 14 18 0 5662.71 5021.50 422.89 o 16 18 0 2287.40 2118.76 211.22 o -14 20 0 13889.12 13854.91 716.29 o -12 20 0 1064.42 1258.49 141.94 o -10 20 0 2897.80 2757.85 226.84 o -8 20 0 21112.80 20300.83 757.72 o -6 20 0 432.67 476.32 100.29 o -4 20 0 3528.00 3720.00 331.20 o -2 20 0 28493.65 28901.06 855.74 o 0 20 0 13.53 -84.38 150.09 o 2 20 0 989.63 1070.36 121.80 o 4 20 0 60511.93 58504.15 1224.08 o 6 20 0 5643.28 6281.80 425.61 o 8 20 0 7.55 -75.61 148.28 o 10 20 0 2676.98 2410.12 214.16 o 12 20 0 126.74 103.69 88.29 o 14 20 0 948.04 1004.25 133.79 o -10 22 0 190.52 -189.26 189.26 o -8 22 0 342.05 421.31 102.55 o -6 22 0 55.11 134.25 102.78 o -4 22 0 671.07 861.86 123.15 o -2 22 0 13085.23 12603.44 614.87 o 0 22 0 222.18 32.85 92.18 o 2 22 0 38.67 203.97 150.32 o 4 22 0 1440.64 1272.98 131.98 o 6 22 0 89.41 34.18 159.83 o 8 22 0 5720.52 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