#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:36:57 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181262 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/40/2234049.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_2234049_Fobs loop_ _publ_author_name 'Zaman, Ibrahim G\"oker' '\,Caylak Deliba\,s, Nagihan' 'Necefo\(glu, Hacali' 'H\"okelek, Tuncer' _publ_section_title ; catena-Poly[[(\m-3-hydroxybenzoato-\k^3^O^1^,O^1'^:O^3^)(\m-3-hydroxybenzoato-\k^3^O^1^,O^1'^:O^1^)(isonicotinamide-\kN^1^)lead(II)] monohydrate] ; _journal_coeditor_code XU5463 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m257 _journal_page_last m258 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 67.165 _cell_angle_beta 74.192 _cell_angle_gamma 88.921 _cell_length_a 7.3626 _cell_length_b 12.1382 _cell_length_c 12.1789 _exptl_crystal_F_000 596.00 _reflns_d_resolution_high 0.7450 _cod_data_source_file xu5463Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' iz2 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 280.85 _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 15660.07 15160.83 272.68 o 2 0 0 7090.23 7377.06 134.69 o 3 0 0 8571.32 8655.01 142.01 o 4 0 0 6498.50 6658.35 111.17 o 5 0 0 2087.94 2073.02 39.96 o 6 0 0 1168.67 1189.46 29.29 o 7 0 0 1001.55 1025.53 30.86 o 8 0 0 233.21 227.74 18.81 o 9 0 0 962.40 938.01 61.22 o -9 1 0 2789.55 2931.97 91.90 o -8 1 0 2628.57 2673.86 65.73 o -7 1 0 3253.41 3312.90 69.41 o -6 1 0 1864.49 1919.49 42.67 o -5 1 0 1525.24 1600.18 32.55 o -4 1 0 1190.34 1294.36 29.99 o -3 1 0 722.56 820.81 14.87 o -2 1 0 4893.47 5462.56 100.61 o -1 1 0 6573.44 6700.61 109.06 o 1 1 0 9330.90 9858.65 177.41 o 2 1 0 12139.35 12465.08 209.47 o 3 1 0 6845.93 7097.10 130.23 o 4 1 0 11442.65 11655.68 175.19 o 5 1 0 11750.41 12100.58 172.89 o 6 1 0 8118.76 8087.16 152.15 o 7 1 0 7147.83 7005.73 147.13 o 8 1 0 5404.87 5411.14 118.99 o 9 1 0 1394.17 1531.83 82.31 o -9 2 0 1127.76 1134.19 46.47 o -8 2 0 4041.35 4098.46 93.88 o -7 2 0 6705.16 6841.28 132.51 o -6 2 0 5155.04 5064.91 98.67 o -5 2 0 10795.88 10965.30 187.80 o -4 2 0 11493.87 11565.82 167.83 o -3 2 0 9505.96 9254.88 143.54 o -2 2 0 5957.78 5995.92 98.38 o -1 2 0 15257.42 14664.14 245.63 o 0 2 0 7124.43 6388.32 239.62 o 1 2 0 452.86 466.87 11.57 o 2 2 0 696.28 762.45 17.01 o 3 2 0 165.42 216.26 9.83 o 4 2 0 5681.23 6103.63 94.61 o 5 2 0 4099.08 4242.53 82.16 o 6 2 0 2134.92 2186.35 47.15 o 7 2 0 1279.58 1293.06 36.31 o 8 2 0 7423.97 7545.11 160.48 o 9 2 0 3599.94 3913.92 167.33 o -9 3 0 447.57 444.73 30.55 o -8 3 0 227.00 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