#------------------------------------------------------------------------------ #$Date: 2009-12-10 09:06:56 +0200 (Thu, 10 Dec 2009) $ #$Revision: 927 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2223953.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_2223953_Fobs loop_ _publ_author_name 'Zhu, Xue-Wen' 'Yang, Xu-Zhao' 'Zhang, Chun-Xia' 'Li, Gang-Sen' 'Yin, Zhi-Gang' _publ_section_title ; Diiodido{4-nitro-2-[2-(piperidin-1-yl)ethyliminomethyl]phenolato}zinc(II) ; _journal_coeditor_code OM2281 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1332 _journal_page_last m1333 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.553 _cell_angle_beta 89.334 _cell_angle_gamma 68.984 _cell_length_a 8.7467 _cell_length_b 10.7114 _cell_length_c 10.9541 _exptl_crystal_F_000 568.00 _reflns_d_resolution_high 0.7830 _[local]_cod_data_source_file om2281Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 200.53 _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 2308.19 2629.96 41.09 o 2 0 0 37452.64 36011.75 367.24 o 3 0 0 15733.69 15822.30 148.74 o 4 0 0 348.71 333.88 13.87 o 5 0 0 834.69 859.21 24.49 o 6 0 0 9.15 14.91 10.18 o 7 0 0 341.07 272.70 28.72 o 8 0 0 2.75 -8.73 12.36 o 9 0 0 33.11 57.09 21.82 o 10 0 0 191.26 159.99 33.45 o -10 1 0 5.34 -12.73 18.18 o -9 1 0 617.27 569.77 51.63 o -8 1 0 355.00 320.34 37.09 o -7 1 0 2071.27 2202.72 79.63 o -6 1 0 7901.05 8286.21 160.35 o -5 1 0 152.55 144.65 11.43 o -4 1 0 14166.83 14215.16 311.79 o -3 1 0 6333.17 6291.99 56.66 o -2 1 0 892.88 951.03 38.36 o -1 1 0 1416.14 1459.10 68.36 o 0 1 0 91.56 107.26 5.82 o 1 1 0 226.61 280.34 11.64 o 2 1 0 6449.48 6863.05 104.72 o 3 1 0 1883.05 2011.33 32.29 o 4 1 0 1.19 4.18 3.86 o 5 1 0 300.70 322.88 15.54 o 6 1 0 0.09 2.42 5.75 o 7 1 0 1927.02 2111.82 71.27 o 8 1 0 1793.35 1858.39 71.27 o 9 1 0 9.52 -15.27 12.73 o 10 1 0 1339.33 1428.24 75.27 o -9 2 0 150.46 178.53 34.18 o -8 2 0 164.57 169.44 30.54 o -7 2 0 208.55 186.53 28.00 o -6 2 0 34.51 41.09 16.36 o -5 2 0 138.30 179.26 22.54 o -4 2 0 416.58 457.29 13.81 o -3 2 0 970.31 1133.20 47.63 o -2 2 0 1948.50 2103.54 32.97 o -1 2 0 740.11 791.04 17.54 o 0 2 0 87.67 78.54 7.64 o 1 2 0 11403.28 10984.16 153.08 o 2 2 0 29490.04 29657.67 264.59 o 3 2 0 6224.63 6276.92 109.81 o 4 2 0 23510.56 23552.55 325.79 o 5 2 0 3778.34 3903.29 59.82 o 6 2 0 4698.88 4751.99 70.82 o 7 2 0 1742.90 1799.48 62.54 o 8 2 0 19.50 -10.91 11.27 o 9 2 0 339.22 365.42 36.36 o 10 2 0 3.21 -3.64 16.36 o -9 3 0 6.00 -11.27 18.18 o -8 3 0 32.09 -1.09 15.64 o -7 3 0 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55.63 o 7 4 0 513.26 507.88 24.63 o 8 4 0 945.59 986.10 46.54 o 9 4 0 177.72 138.53 23.63 o 10 4 0 58.38 46.54 18.54 o -8 5 0 60.81 59.27 23.63 o -7 5 0 55.24 83.63 24.73 o -6 5 0 293.13 298.88 36.72 o -5 5 0 332.00 378.88 37.09 o -4 5 0 19.92 25.45 13.82 o -3 5 0 228.81 257.41 32.54 o -2 5 0 13.80 18.38 6.81 o -1 5 0 3252.84 3287.04 55.94 o 0 5 0 3784.73 3743.98 92.54 o 1 5 0 1652.21 1642.83 46.18 o 2 5 0 19827.87 18881.60 147.99 o 3 5 0 8.70 2.52 3.56 o 4 5 0 3746.85 3537.94 75.99 o 5 5 0 1641.97 1623.08 41.61 o 6 5 0 823.87 793.36 48.72 o 7 5 0 812.90 781.54 25.19 o 8 5 0 567.14 575.06 23.65 o 9 5 0 1003.07 867.20 58.18 o 10 5 0 3.89 22.54 18.18 o 11 5 0 286.54 282.89 44.36 o -7 6 0 183.81 154.53 34.18 o -6 6 0 39.83 9.45 16.36 o -5 6 0 1156.24 1127.54 63.99 o -4 6 0 2875.04 2850.67 96.36 o -3 6 0 96.42 97.81 22.18 o -2 6 0 5471.39 5354.40 82.81 o -1 6 0 795.92 771.57 28.00 o 0 6 0 3800.25 3845.39 69.45 o 1 6 0 1719.56 1743.71 40.96 o 2 6 0 7411.56 7110.40 177.99 o 3 6 0 4044.55 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