#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/59/2205951.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_2205951_Fobs loop_ _publ_author_name 'Shen, Xu-Jie' 'Xiao, Li-Ping' 'Xu, Ru-Ren' _publ_section_title ; Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1156 _journal_page_last m1158 _journal_volume 61 _journal_year 2005 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 90.615 _cell_angle_gamma 90.000 _cell_length_a 8.2904 _cell_length_b 14.2195 _cell_length_c 16.9550 _exptl_crystal_F_000 936.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file hb6201Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 258.87 _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+1/2, -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 5 -14 0 85.38 40.50 71.51 o 5 -13 0 249.78 287.43 95.81 o 6 -13 0 333.97 478.46 119.52 o 5 -12 0 234.68 257.01 87.91 o 6 -12 0 128.88 47.41 71.71 o 5 -11 0 512.95 462.65 96.01 o 6 -11 0 581.89 600.15 113.98 o 7 -11 0 399.80 423.34 107.27 o 5 -10 0 659.70 723.41 111.61 o 6 -10 0 175.04 98.38 68.94 o 7 -10 0 7.88 36.35 65.19 o 4 -9 0 261.06 257.01 69.73 o 5 -9 0 1323.35 1266.47 119.52 o 6 -9 0 680.84 703.27 110.23 o 7 -9 0 368.06 314.10 91.27 o 8 -9 0 66.14 124.45 78.03 o 4 -8 0 72.40 81.98 49.58 o 5 -8 0 325.55 236.66 68.75 o 6 -8 0 56.20 103.32 64.99 o 7 -8 0 255.91 273.40 84.75 o 8 -8 0 303.29 268.07 91.66 o 4 -7 0 519.64 443.69 73.88 o 5 -7 0 744.58 694.38 95.61 o 6 -7 0 1298.43 1434.98 127.22 o 7 -7 0 795.59 683.51 113.98 o 8 -7 0 70.52 77.04 69.14 o 4 -6 0 119.99 86.33 44.25 o 5 -6 0 1513.68 1417.40 111.61 o 6 -6 0 282.17 285.85 75.27 o 7 -6 0 343.45 271.63 81.39 o 8 -6 0 376.34 417.02 100.16 o 9 -6 0 145.14 169.69 89.49 o 3 -5 0 965.43 1058.45 78.62 o 4 -5 0 322.17 316.27 61.04 o 5 -5 0 13.68 14.62 39.90 o 6 -5 0 2349.30 2375.89 147.37 o 7 -5 0 1547.60 1669.46 139.47 o 8 -5 0 211.30 170.88 77.83 o 9 -5 0 18.77 55.12 71.31 o 3 -4 0 22.21 25.88 29.24 o 4 -4 0 541.00 524.09 68.35 o 5 -4 0 412.39 471.74 73.09 o 6 -4 0 427.54 374.15 76.65 o 7 -4 0 575.34 541.67 97.39 o 8 -4 0 300.09 306.39 91.66 o 9 -4 0 164.16 140.46 85.93 o 2 -3 0 3391.31 3388.91 104.90 o 3 -3 0 4497.52 4791.69 141.44 o 4 -3 0 765.29 749.10 70.33 o 5 -3 0 57.78 35.95 38.32 o 6 -3 0 584.03 620.49 90.48 o 7 -3 0 1917.37 2111.97 150.33 o 8 -3 0 546.46 593.23 110.23 o 9 -3 0 39.10 36.94 70.13 o 2 -2 0 522.27 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0 274.56 356.05 69.15 o 0 2 0 67011.23 69379.74 961.06 o 1 2 0 6954.27 7278.52 160.87 o 2 2 0 560.33 544.78 29.76 o 3 2 0 3362.33 3693.33 123.66 o 4 2 0 5477.83 5684.00 174.04 o 5 2 0 415.08 483.40 74.28 o 6 2 0 25.23 28.05 47.41 o 7 2 0 411.28 522.14 114.18 o 8 2 0 1003.70 1035.08 123.07 o 9 2 0 349.78 391.48 75.18 o 1 3 0 863.61 745.48 18.40 o 2 3 0 3605.92 3667.11 65.22 o 3 3 0 4564.17 4650.65 212.07 o 4 3 0 728.39 724.30 46.42 o 5 3 0 51.44 7.24 23.24 o 6 3 0 602.47 649.43 62.65 o 7 3 0 1856.22 1921.97 98.53 o 8 3 0 512.43 578.29 74.23 o 9 3 0 47.52 33.03 50.41 o 0 4 0 1834.12 2133.96 117.24 o 1 4 0 3007.92 3162.48 59.18 o 2 4 0 914.85 941.17 26.77 o 3 4 0 26.30 52.95 19.15 o 4 4 0 525.62 540.27 54.92 o 5 4 0 494.78 458.99 49.01 o 6 4 0 438.81 477.08 57.89 o 7 4 0 611.15 673.82 72.00 o 8 4 0 329.92 332.48 61.06 o 9 4 0 202.65 206.37 60.25 o 1 5 0 2535.86 2730.67 53.86 o 2 5 0 4557.66 4412.82 65.10 o 3 5 0 1023.26 1013.53 87.81 o 4 5 0 349.97 291.93 36.80 o 5 5 0 4.60 -4.12 25.24 o 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