#------------------------------------------------------------------------------ #$Date: 2010-01-22 14:33:52 +0200 (Fri, 22 Jan 2010) $ #$Revision: 960 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224156.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_2224156_Fobs loop_ _publ_author_name 'Cong, Fang-Di' 'Yu, Feng-Yang' 'Wei, Zhen' 'Ng, Seik Weng' _publ_section_title ; catena-Poly[[(1,10-phenanthroline-5,6-dione-\k^2^N,N')lead(II)]-\m-terephthalato-\k^2^O^1^:O^4^] ; _journal_coeditor_code CI2964 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1544 _journal_volume 65 _journal_year 2009 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 114.444 _cell_angle_gamma 90.000 _cell_length_a 10.4280 _cell_length_b 15.1870 _cell_length_c 11.4780 _exptl_crystal_F_000 1096.00 _reflns_d_resolution_high 0.8102 _[local]_cod_data_source_file ci2964Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/nc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.72 _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+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 61293.43 72995.71 893.30 o 2 0 0 156.97 144.46 33.47 o 3 0 0 6937.96 6757.46 227.54 o 4 0 0 33080.74 34017.10 553.49 o 5 0 0 39760.62 41048.16 457.15 o 6 0 0 21320.66 22341.12 568.14 o 7 0 0 83.14 429.21 201.10 o 8 0 0 4993.79 4500.07 381.47 o 9 0 0 17739.55 17705.55 655.04 o 10 0 0 6475.23 5785.41 484.81 o 11 0 0 2628.31 2679.60 433.93 o 1 1 0 7238.41 8582.77 111.63 o 2 1 0 2005.23 2314.17 66.06 o 3 1 0 243.48 317.95 47.63 o 4 1 0 1503.26 1716.76 86.73 o 5 1 0 664.32 766.40 78.77 o 6 1 0 32.92 -14.82 82.22 o 7 1 0 69.49 160.87 140.70 o 8 1 0 343.84 449.67 172.32 o 9 1 0 778.32 706.93 202.97 o 10 1 0 6.00 -274.20 213.46 o 11 1 0 151.12 -329.95 219.97 o 0 2 0 102045.45 112077.59 1277.94 o 1 2 0 43783.75 46352.49 428.67 o 2 2 0 3181.02 3922.00 169.15 o 3 2 0 4349.50 4189.43 173.71 o 4 2 0 23380.74 22988.23 259.62 o 5 2 0 31918.37 32538.46 348.89 o 6 2 0 14241.88 14470.72 242.95 o 7 2 0 130.71 152.64 104.15 o 8 2 0 4616.35 4121.36 264.06 o 9 2 0 9523.23 9196.11 355.87 o 10 2 0 11178.61 10716.91 407.75 o 11 2 0 964.12 846.88 376.18 o 1 3 0 3325.59 3404.31 53.50 o 2 3 0 81272.38 86757.80 790.01 o 3 3 0 8286.54 8487.34 189.39 o 4 3 0 4242.82 4372.38 129.76 o 5 3 0 221.98 388.56 87.67 o 6 3 0 3703.49 3836.03 159.43 o 7 3 0 6053.46 6064.23 202.68 o 8 3 0 1070.67 879.30 193.88 o 9 3 0 298.69 140.10 228.04 o 10 3 0 20.70 -104.06 255.70 o 11 3 0 1400.85 1263.64 263.65 o 0 4 0 27933.39 27466.17 293.57 o 1 4 0 6834.16 6207.32 78.17 o 2 4 0 1982.53 2249.15 91.05 o 3 4 0 5820.08 5749.40 169.01 o 4 4 0 32027.60 31955.20 426.29 o 5 4 0 23121.24 23158.63 299.20 o 6 4 0 6698.32 7000.45 197.44 o 7 4 0 648.35 600.59 136.00 o 8 4 0 5134.41 5252.13 289.50 o 9 4 0 6622.52 6226.87 322.27 o 10 4 0 3448.43 3921.33 305.22 o 11 4 0 1120.16 484.78 287.71 o 1 5 0 5040.26 4687.78 78.82 o 2 5 0 20954.92 20254.90 186.92 o 3 5 0 22516.71 21617.36 341.45 o 4 5 0 2911.42 2775.03 164.80 o 5 5 0 792.19 874.84 98.41 o 6 5 0 10883.38 10561.37 233.50 o 7 5 0 11756.80 11436.28 263.57 o 8 5 0 6997.72 7099.37 238.33 o 9 5 0 1761.44 1972.40 373.40 o 10 5 0 93.18 187.71 214.33 o 11 5 0 1609.00 995.91 270.99 o 0 6 0 25953.05 27185.09 266.01 o 1 6 0 19262.74 19785.72 165.45 o 2 6 0 2103.31 2025.51 71.28 o 3 6 0 9366.68 9388.64 150.49 o 4 6 0 6356.78 5914.70 215.90 o 5 6 0 8605.43 8787.88 274.24 o 6 6 0 7254.28 7274.28 339.61 o 7 6 0 44.88 31.36 118.70 o 8 6 0 3414.01 3806.34 205.98 o 9 6 0 2794.15 2848.26 268.20 o 10 6 0 822.44 819.77 268.92 o 11 6 0 335.13 153.00 240.86 o 1 7 0 12192.62 12161.95 135.27 o 2 7 0 38591.93 39739.82 283.65 o 3 7 0 7743.36 6627.87 153.06 o 4 7 0 2547.02 2363.42 127.86 o 5 7 0 103.55 -86.85 143.77 o 6 7 0 10418.15 9998.57 239.24 o 7 7 0 11786.55 12539.33 285.72 o 8 7 0 4031.04 3952.48 207.46 o 9 7 0 508.92 341.32 200.28 o 10 7 0 526.11 605.54 240.29 o 0 8 0 1147.47 1279.48 88.74 o 1 8 0 4042.52 3971.16 96.40 o 2 8 0 2328.01 2317.93 86.67 o 3 8 0 199.03 162.36 66.66 o 4 8 0 1375.18 1461.80 183.04 o 5 8 0 1017.07 995.49 168.37 o 6 8 0 398.91 458.85 132.12 o 7 8 0 30.41 -175.69 117.12 o 8 8 0 1495.20 1527.01 169.20 o 9 8 0 642.46 331.60 209.53 o 10 8 0 106.02 -154.65 418.78 o 1 9 0 23648.94 24224.48 316.10 o 2 9 0 33641.11 34042.65 276.75 o 3 9 0 19783.36 19020.00 232.41 o 4 9 0 5567.93 5178.47 189.59 o 5 9 0 486.34 636.54 131.10 o 6 9 0 9762.08 9850.08 297.41 o 7 9 0 8838.30 9449.99 228.61 o 8 9 0 4677.58 5108.25 296.97 o 9 9 0 386.88 218.69 162.66 o 10 9 0 603.37 -7.70 264.70 o 0 10 0 2891.26 2787.66 140.00 o 1 10 0 728.96 803.58 76.88 o 2 10 0 165.40 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