#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/03/2200354.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_2200354_Fobs loop_ _publ_author_name 'Cui, Chuanpeng' 'Dai, Jingcao' 'Wu, Limin' 'Du, Wenxin' 'Wu, Xintao' _publ_section_title ; A tetranuclear copper complex, [Cu~4~(\m~3~-OH)~2~(\m~2~-OH)~2~(phen)~4~(H~2~O)~2~](NO~3~)~4~·2H~2~O ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m198 _journal_page_last m200 _journal_volume 57 _journal_year 2001 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 111.073 _cell_angle_beta 90.906 _cell_angle_gamma 111.218 _cell_length_a 10.1504 _cell_length_b 11.9299 _cell_length_c 12.6337 _exptl_crystal_F_000 816.00 _reflns_d_resolution_high 0.8403 _[local]_cod_data_source_file wn6011Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' c1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 315.30 _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 9081.48 8718.83 272.39 o 2 0 0 213.35 273.42 15.82 o 3 0 0 394.36 401.32 22.34 o 4 0 0 1991.29 2081.89 108.73 o 5 0 0 1358.28 1428.30 57.31 o 6 0 0 131.03 107.11 39.60 o 7 0 0 12.41 58.42 38.30 o 8 0 0 6.24 34.40 35.05 o 9 0 0 79.80 29.86 41.55 o 10 0 0 46.48 64.27 49.34 o 11 0 0 95.64 101.92 61.02 o -11 1 0 598.93 447.91 79.20 o -10 1 0 327.70 403.77 67.51 o -9 1 0 82.47 3.25 31.81 o -8 1 0 5.18 -31.16 31.16 o -7 1 0 9.04 38.30 41.55 o -6 1 0 29.84 54.53 27.91 o -5 1 0 226.19 178.52 34.40 o -4 1 0 1021.29 1100.95 76.60 o -3 1 0 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o -4 10 0 109.01 84.52 32.44 o -3 10 0 141.34 176.27 31.78 o -2 10 0 174.36 153.96 33.34 o -1 10 0 590.50 558.91 71.41 o 0 10 0 542.95 515.42 70.11 o 1 10 0 321.52 336.91 64.27 o 2 10 0 11.94 95.42 52.58 o 3 10 0 73.98 114.90 64.27 o -10 11 0 659.77 551.12 88.93 o -9 11 0 341.54 409.61 79.20 o -8 11 0 4.21 39.60 59.72 o -7 11 0 378.96 334.96 70.76 o -6 11 0 53.64 133.12 54.53 o -5 11 0 26.12 -7.32 32.13 o -4 11 0 3.64 8.10 60.05 o -3 11 0 41.57 25.18 31.89 o -2 11 0 31.78 42.20 30.46 o -1 11 0 27.94 74.65 53.23 o 0 11 0 99.31 86.99 52.58 o 1 11 0 14.88 70.76 55.83 o 2 11 0 93.89 59.07 63.62 o -8 12 0 217.88 190.85 64.27 o -7 12 0 1419.41 1319.71 114.90 o -6 12 0 1164.80 1246.19 83.91 o -5 12 0 59.41 175.17 39.81 o -4 12 0 43.56 120.05 44.47 o -3 12 0 61.49 105.81 62.32 o -2 12 0 27.32 -16.88 53.88 o -1 12 0 12.73 87.63 64.91 o 0 12 0 2.09 105.16 78.55 o -6 13 0 255.92 131.91 45.84 o -5 13 0 14.62 71.68 48.04 o -4 13 0 231.26 211.62 73.35 o -3 13 0 273.66 311.59 79.20 o 2 -13 1 40.26 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