#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:05:34 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180958 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/38/2203809.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_2203809_Fobs loop_ _publ_author_name 'Xiao, Hong-Ping' 'Zhu, Nan-Wen' 'Hu, Mao-Lin' _publ_section_title ; Bis(\m-4-nitrophenolato-\k^2^O:O')bis[(2,2'-bipyridine-\k^2^N,N')nitratolead(II)] ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m800 _journal_page_last m801 _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 91.477 _cell_angle_beta 111.107 _cell_angle_gamma 109.929 _cell_length_a 8.6461 _cell_length_b 10.5079 _cell_length_c 10.7934 _exptl_crystal_F_000 532.00 _reflns_d_resolution_high 0.8336 _cod_data_source_file su6103Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' hom in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 262.40 _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 10986.11 10804.51 149.84 o 2 0 0 4608.30 4659.04 69.40 o 3 0 0 15641.52 16271.98 224.49 o 4 0 0 35.47 37.31 6.05 o 5 0 0 7072.95 7359.12 117.53 o 6 0 0 1777.71 1837.01 44.65 o 7 0 0 577.19 550.17 56.63 o 8 0 0 1733.42 1982.59 121.28 o -9 1 0 163.66 317.08 42.46 o -8 1 0 2105.89 2264.76 128.13 o -7 1 0 1202.45 1223.90 48.64 o -6 1 0 2972.27 3007.06 61.07 o -5 1 0 7533.15 7839.78 122.81 o -4 1 0 41.86 38.79 5.58 o -3 1 0 11273.75 11333.78 159.04 o -2 1 0 4961.46 5059.26 73.54 o -1 1 0 5914.41 5722.65 79.86 o 0 1 0 26524.40 22684.22 377.11 o 1 1 0 105.68 122.06 5.93 o 2 1 0 6064.86 6278.14 92.87 o 3 1 0 12081.68 12748.97 181.38 o 4 1 0 4.29 32.81 8.76 o 5 1 0 3134.56 3183.09 62.72 o 6 1 0 716.38 727.07 26.79 o 7 1 0 362.33 362.74 50.24 o 8 1 0 1453.64 1699.48 112.33 o -9 2 0 339.47 500.05 56.05 o -8 2 0 2791.41 2913.48 87.28 o -7 2 0 422.24 434.41 22.54 o -6 2 0 4458.78 4615.80 128.88 o -5 2 0 6861.33 7037.85 111.33 o -4 2 0 249.51 284.28 13.90 o -3 2 0 15327.45 15053.85 206.96 o -2 2 0 8911.69 8900.96 123.85 o -1 2 0 6586.80 6768.99 96.23 o 0 2 0 13491.56 13012.96 216.06 o 1 2 0 4098.43 4206.51 87.65 o 2 2 0 10428.75 10689.79 154.31 o 3 2 0 10124.19 10454.09 154.88 o 4 2 0 45.12 55.27 9.48 o 5 2 0 4181.78 4190.63 79.06 o 6 2 0 868.79 807.80 40.29 o 7 2 0 274.68 331.14 50.94 o 8 2 0 1146.03 1252.06 100.31 o -9 3 0 684.49 909.48 74.75 o -8 3 0 2548.43 2676.29 85.99 o -7 3 0 233.44 246.28 16.06 o -6 3 0 5221.96 5142.15 94.84 o -5 3 0 3638.80 3484.15 80.21 o -4 3 0 408.08 450.15 24.62 o -3 3 0 14217.46 14151.22 210.63 o -2 3 0 5882.36 6037.94 88.69 o -1 3 0 12163.13 12252.29 214.53 o 0 3 0 13943.42 13882.34 197.15 o 1 3 0 209.82 201.50 11.54 o 2 3 0 8127.42 8113.43 142.63 o 3 3 0 7092.16 7292.95 116.82 o 4 3 0 122.94 125.97 11.62 o 5 3 0 3960.18 3515.33 177.45 o 6 3 0 1164.21 1182.14 51.77 o 7 3 0 273.18 395.03 51.58 o -9 4 0 341.78 448.65 88.49 o -8 4 0 1776.36 2002.42 69.73 o -7 4 0 138.85 141.06 13.37 o -6 4 0 3988.10 3877.59 73.54 o -5 4 0 2239.69 2143.88 46.03 o -4 4 0 483.95 487.30 17.45 o -3 4 0 11622.24 11750.30 167.07 o -2 4 0 5405.20 5434.90 83.48 o -1 4 0 615.08 602.80 18.29 o 0 4 0 15909.02 16253.49 231.95 o 1 4 0 4093.41 4291.83 77.75 o 2 4 0 2436.87 2152.84 110.71 o 3 4 0 5627.94 5500.92 96.95 o 4 4 0 1.99 7.54 9.80 o 5 4 0 3069.61 2951.89 89.51 o 7 4 0 189.82 235.18 44.67 o -9 5 0 583.25 627.72 54.54 o -8 5 0 2566.82 2619.08 79.45 o -7 5 0 55.80 85.38 23.64 o -6 5 0 2790.10 2725.39 58.33 o -5 5 0 4865.98 4606.06 81.28 o -4 5 0 268.21 291.67 23.79 o -3 5 0 13882.97 14371.63 204.20 o -2 5 0 5365.82 5524.42 88.15 o -1 5 0 1245.88 1135.90 61.69 o 0 5 0 13847.73 14573.71 214.58 o 1 5 0 669.50 700.22 26.09 o 2 5 0 5579.60 5528.77 100.04 o 3 5 0 5339.68 5236.18 98.24 o 4 5 0 224.39 207.35 23.72 o 5 5 0 2440.78 2198.26 106.85 o 6 5 0 575.83 546.75 62.61 o -9 6 0 612.37 704.56 53.21 o -8 6 0 2341.74 2259.12 99.38 o -7 6 0 24.41 30.65 11.51 o -6 6 0 3078.99 3029.63 79.59 o -5 6 0 4612.59 4833.04 110.12 o -4 6 0 150.08 209.89 21.94 o -3 6 0 10662.86 11001.84 163.67 o -2 6 0 4112.16 4156.96 116.46 o -1 6 0 3483.78 3393.16 67.56 o 0 6 0 7363.00 7817.23 129.22 o 1 6 0 740.92 740.44 30.68 o 2 6 0 3882.21 3761.64 78.85 o 3 6 0 3508.79 3274.75 95.78 o 4 6 0 12.83 20.79 12.03 o 5 6 0 1505.92 1516.35 66.22 o 6 6 0 300.36 366.92 50.77 o -9 7 0 690.18 635.21 53.79 o -8 7 0 2765.09 2654.50 115.76 o -7 7 0 633.77 614.53 48.04 o -6 7 0 1892.56 1817.20 61.59 o -5 7 0 1956.30 1892.80 62.46 o -4 7 0 242.47 240.85 23.26 o -3 7 0 6099.09 5908.16 135.11 o -2 7 0 1877.32 1699.78 60.53 o -1 7 0 3937.25 3900.75 77.77 o 0 7 0 6890.80 7247.17 257.72 o 1 7 0 448.99 450.17 23.00 o 2 7 0 3073.18 2980.45 89.22 o 3 7 0 1073.98 1035.75 76.38 o 4 7 0 65.67 77.33 16.80 o 5 7 0 1705.77 1594.35 70.13 o -9 8 0 921.69 988.71 70.17 o -8 8 0 1413.98 1328.44 81.96 o -7 8 0 9.89 25.47 13.09 o -6 8 0 5699.80 5793.81 138.87 o -5 8 0 3282.58 3248.59 98.71 o -4 8 0 203.71 193.74 23.47 o -3 8 0 4450.80 4141.38 144.11 o -2 8 0 1018.18 1032.10 49.17 o -1 8 0 3485.67 3305.90 283.62 o 0 8 0 3625.28 3685.09 100.08 o 1 8 0 19.85 41.99 16.43 o 2 8 0 2712.39 2690.92 86.85 o 3 8 0 1489.11 1427.10 62.41 o 4 8 0 32.50 85.64 18.46 o -8 9 0 1453.77 1416.07 101.18 o -7 9 0 46.23 63.03 16.91 o -6 9 0 3592.65 3777.96 110.38 o -5 9 0 2917.23 2907.13 91.82 o -4 9 0 128.95 148.24 23.70 o -3 9 0 4004.59 3739.00 108.77 o -2 9 0 603.33 605.29 39.55 o -1 9 0 1480.33 1457.58 70.89 o 0 9 0 1726.74 1688.25 64.22 o 1 9 0 113.32 121.28 34.44 o 2 9 0 1845.31 1867.29 111.17 o 3 9 0 1071.89 1105.98 84.05 o -8 10 0 1237.31 1282.14 63.27 o -7 10 0 113.55 119.36 21.63 o -6 10 0 2001.20 1981.58 79.14 o -5 10 0 2376.21 2220.40 83.22 o -4 10 0 297.79 277.37 31.28 o -3 10 0 2545.90 2482.94 87.46 o -2 10 0 607.48 586.87 40.02 o -1 10 0 620.45 597.24 39.74 o 0 10 0 1626.83 1725.56 107.98 o 1 10 0 19.22 46.12 24.74 o 2 10 0 943.55 940.21 80.85 o -7 11 0 13.13 20.75 16.14 o -6 11 0 1194.94 1185.35 63.65 o -5 11 0 877.58 843.76 85.35 o -4 11 0 734.68 666.08 46.69 o -3 11 0 2038.92 1923.37 77.72 o -2 11 0 452.61 472.22 37.34 o -1 11 0 770.55 832.00 75.74 o 0 11 0 1038.01 1165.69 90.50 o 1 11 0 28.77 30.67 25.67 o -6 12 0 1464.11 1494.73 75.44 o -5 12 0 831.90 820.75 54.42 o -4 12 0 249.81 226.61 31.91 o -3 12 0 1296.62 1287.47 65.21 o -2 12 0 163.72 200.36 26.61 o -1 12 0 485.82 624.69 69.12 o 1 -12 1 1455.51 1475.19 66.99 o 2 -12 1 1.42 12.96 14.71 o 3 -12 1 1719.96 1727.36 77.24 o 4 -12 1 1237.26 1171.77 65.31 o 5 -12 1 104.99 116.68 28.03 o -1 -11 1 361.11 420.88 54.37 o 0 -11 1 536.76 597.16 64.65 o 1 -11 1 2924.90 2826.61 94.38 o 2 -11 1 7.59 4.84 13.54 o 3 -11 1 2111.48 1977.23 80.43 o 4 -11 1 2002.53 1931.82 81.37 o 5 -11 1 88.05 90.87 22.11 o 6 -11 1 1731.91 1615.18 134.84 o 7 -11 1 278.18 271.21 32.93 o -2 -10 1 1578.54 1586.92 104.55 o -1 -10 1 420.53 414.02 52.51 o 0 -10 1 1703.78 1580.77 64.15 o 1 -10 1 4078.65 3934.56 114.60 o 2 -10 1 8.98 12.94 14.51 o 3 -10 1 2167.94 2148.80 81.38 o 4 -10 1 1495.38 1440.86 82.92 o 5 -10 1 527.98 515.31 39.97 o 6 -10 1 2230.92 2181.37 83.91 o 7 -10 1 102.34 138.95 23.73 o 8 -10 1 691.66 752.58 47.60 o -3 -9 1 211.13 184.53 38.05 o -2 -9 1 2858.63 2806.68 138.01 o -1 -9 1 395.46 351.31 30.01 o 0 -9 1 2007.34 1967.20 71.41 o 1 -9 1 2541.78 2614.84 85.21 o 2 -9 1 0.40 2.92 15.77 o 3 -9 1 3037.88 2954.24 93.61 o 4 -9 1 1575.07 1514.46 92.03 o 5 -9 1 201.16 186.40 25.23 o 6 -9 1 2982.22 2982.73 94.69 o 7 -9 1 262.27 273.53 28.05 o 8 -9 1 457.04 474.71 35.36 o -4 -8 1 347.68 445.59 55.12 o -3 -8 1 383.45 391.31 36.10 o -2 -8 1 2252.86 2194.21 59.33 o -1 -8 1 37.30 64.82 33.89 o 0 -8 1 5527.02 5639.17 135.77 o 1 -8 1 8190.11 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o 4 -6 1 4851.43 4700.32 344.12 o 5 -6 1 1669.71 1624.91 53.50 o 6 -6 1 4940.48 4966.94 114.20 o 7 -6 1 545.25 534.41 30.93 o 8 -6 1 1781.29 1733.00 85.85 o 9 -6 1 1495.00 1576.40 82.42 o -7 -5 1 657.99 715.71 72.90 o -6 -5 1 104.14 280.49 33.46 o -5 -5 1 1738.21 1691.39 64.33 o -4 -5 1 1763.78 1753.61 48.78 o -3 -5 1 1280.37 1190.65 37.17 o -2 -5 1 5867.28 5695.25 101.55 o -1 -5 1 1249.46 1306.77 47.49 o 0 -5 1 9644.77 10220.01 156.67 o 1 -5 1 6094.14 5977.66 96.39 o 2 -5 1 1308.42 1332.71 44.04 o 3 -5 1 18157.48 18804.47 270.88 o 4 -5 1 5156.37 5219.30 88.41 o 5 -5 1 1515.27 1399.22 47.06 o 6 -5 1 5429.21 5343.04 96.65 o 7 -5 1 142.09 143.01 17.06 o 8 -5 1 1879.90 1972.13 88.46 o 9 -5 1 1280.66 1420.85 82.36 o -7 -4 1 706.98 823.75 74.46 o -6 -4 1 19.25 64.53 23.64 o -5 -4 1 3428.66 3257.67 136.12 o -4 -4 1 1757.73 1699.59 44.60 o -3 -4 1 1172.26 1078.76 32.65 o -2 -4 1 7960.00 7650.29 122.77 o -1 -4 1 1600.73 1653.10 39.35 o 0 -4 1 11717.93 12278.63 179.60 o 1 -4 1 15561.78 14400.23 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