#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/43/2204310.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_2204310_Fobs loop_ _publ_author_name 'Wu, Bin' 'Guo, Yongsheng' _publ_section_title ; A trinuclear zinc--cerium complex: [CeZn~2~{CH~2~C(CH~3~)COO}~6~(NO~3~)(2,2'-bipyridine)~2~] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1356 _journal_page_last m1358 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.434 _cell_angle_beta 99.374 _cell_angle_gamma 100.110 _cell_length_a 11.3384 _cell_length_b 13.6971 _cell_length_c 16.4806 _exptl_crystal_F_000 1166.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file cv6363Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CeZnBipy in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 321.70 _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 2 0 0 12403.52 12646.20 70.11 o 3 0 0 45853.07 42905.92 114.74 o 4 0 0 9435.05 9795.31 14.86 o 5 0 0 5766.12 5831.58 21.84 o 6 0 0 4743.92 4873.17 37.64 o 7 0 0 30.41 40.26 9.08 o 8 0 0 334.55 351.53 12.33 o 9 0 0 106.20 143.56 22.81 o 10 0 0 319.66 351.96 12.12 o 11 0 0 2715.73 2733.78 19.94 o 12 0 0 661.43 618.72 14.70 o 13 0 0 540.12 561.89 32.27 o -13 1 0 631.32 641.38 23.11 o -12 1 0 1311.29 1292.71 40.07 o -11 1 0 13.90 -3.66 26.22 o -10 1 0 1152.40 1172.92 14.73 o -9 1 0 1817.83 1798.32 18.98 o -8 1 0 1085.88 1095.53 12.65 o -7 1 0 1105.81 1285.91 11.75 o -6 1 0 1660.83 1695.47 14.31 o 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1314.18 27.44 o 11 3 0 2810.11 2654.72 72.33 o 12 3 0 436.00 434.07 43.03 o -13 4 0 365.36 326.42 26.88 o -12 4 0 207.21 216.68 25.08 o -11 4 0 1307.44 1322.66 38.19 o -10 4 0 2438.36 2400.62 19.39 o -9 4 0 636.91 626.98 16.22 o -8 4 0 2940.21 2971.05 17.39 o -7 4 0 10372.05 10294.67 194.45 o -6 4 0 987.91 930.58 15.02 o -5 4 0 1626.38 1582.91 15.02 o -4 4 0 12522.95 12323.38 179.12 o -3 4 0 254.28 219.37 11.60 o -2 4 0 258.91 208.61 10.65 o -1 4 0 28384.61 27841.17 243.93 o 0 4 0 7591.32 7608.22 86.06 o 1 4 0 7453.25 7840.95 41.42 o 2 4 0 7236.27 7543.28 68.97 o 3 4 0 893.58 905.45 22.14 o 4 4 0 8003.13 8048.19 14.25 o 5 4 0 67.10 65.74 5.71 o 6 4 0 5360.14 5300.45 26.35 o 7 4 0 3333.69 3381.54 27.45 o 8 4 0 6.29 20.31 5.22 o 9 4 0 1931.38 1873.69 49.26 o 10 4 0 2332.68 2293.04 45.41 o 11 4 0 47.68 35.52 17.21 o 12 4 0 576.96 564.24 44.64 o -13 5 0 1074.45 1119.34 44.64 o -12 5 0 1127.78 1210.44 27.48 o -11 5 0 133.48 104.45 32.27 o -10 5 0 1491.47 1562.28 23.95 o -9 5 0 1635.27 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22.37 33.35 o -12 8 0 9.12 27.97 38.19 o -11 8 0 107.90 103.62 27.10 o -10 8 0 1130.97 1103.20 38.19 o -9 8 0 586.87 611.15 24.51 o -8 8 0 2315.59 2241.00 26.03 o -7 8 0 4853.72 4815.32 27.94 o -6 8 0 455.85 442.96 19.97 o -5 8 0 2849.20 2833.94 22.06 o -4 8 0 4526.72 4383.96 30.66 o -3 8 0 500.30 505.85 15.40 o -2 8 0 2446.49 2374.10 16.16 o -1 8 0 2017.30 1935.88 40.61 o 0 8 0 3189.62 3219.32 16.67 o 1 8 0 1445.61 1489.46 10.27 o 2 8 0 1400.41 1382.41 40.61 o 3 8 0 1346.52 1387.22 11.41 o 4 8 0 10.10 21.08 13.67 o 5 8 0 544.89 569.62 28.51 o 6 8 0 2290.41 2364.00 36.04 o 7 8 0 749.37 799.30 36.04 o 8 8 0 0.28 94.67 36.58 o 9 8 0 618.69 625.02 42.49 o -12 9 0 2.28 27.97 39.27 o -8 9 0 1491.73 1495.32 38.19 o -7 9 0 399.16 519.06 33.35 o -6 9 0 8811.51 8737.39 46.26 o -5 9 0 5803.44 5806.60 69.66 o -4 9 0 1209.07 1221.81 57.82 o -3 9 0 13623.45 13454.52 311.17 o -2 9 0 3303.93 3087.71 43.57 o -1 9 0 2148.87 2138.02 38.73 o 0 9 0 8962.28 9065.23 119.68 o 1 9 0 76.75 79.07 13.98 o 2 9 0 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