#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/12/2221202.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_2221202_Fobs loop_ _publ_author_name 'Mohammadnezhad Sh., Gholamhossein' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; Bis(\m-2-methylquinolin-8-olato)-\k^3^N,O:O;\k^3^O:N,O-bis[(methanol-\kO)(nitrato-\k^2^O,O')lead(II)] ; _journal_coeditor_code TK2363 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m259 _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 103.976 _cell_angle_beta 98.262 _cell_angle_gamma 108.190 _cell_length_a 8.2579 _cell_length_b 8.8052 _cell_length_c 9.6765 _exptl_crystal_F_000 428.00 _reflns_d_resolution_high 0.7698 _[local]_cod_data_source_file tk2363Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 170.81 _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 25560.24 20823.31 279.96 o 2 0 0 748.27 817.56 16.35 o 3 0 0 1282.65 1371.96 26.57 o 4 0 0 9172.27 9316.82 150.47 o 5 0 0 7166.34 7243.06 148.75 o 6 0 0 8325.22 8551.82 184.05 o 7 0 0 2152.29 2257.75 96.47 o 8 0 0 43.12 74.26 29.58 o 9 0 0 1905.41 2111.55 104.62 o -10 1 0 46.60 53.43 39.27 o -9 1 0 3119.72 3153.09 132.67 o -8 1 0 5419.39 5405.79 188.76 o -7 1 0 5504.05 5863.62 130.23 o -6 1 0 5158.83 5454.16 94.00 o -5 1 0 6.16 20.78 6.79 o -4 1 0 8389.04 8299.97 134.39 o -3 1 0 25115.97 23618.97 369.10 o -2 1 0 18938.90 17687.97 276.34 o -1 1 0 6642.13 6672.67 102.41 o 0 1 0 28.03 118.12 3.53 o 1 1 0 3283.44 3214.30 71.17 o 2 1 0 8206.92 7952.29 135.63 o 3 1 0 16945.68 16967.26 607.13 o 4 1 0 4246.15 4285.52 91.85 o 5 1 0 819.53 899.11 28.95 o 6 1 0 1851.31 1954.04 51.54 o 7 1 0 7192.72 8112.06 265.44 o 8 1 0 3591.93 4023.81 156.22 o 9 1 0 2451.72 3093.75 139.85 o -10 2 0 3960.30 4282.44 170.46 o -9 2 0 1425.05 1511.55 81.45 o -8 2 0 95.79 89.76 28.26 o -7 2 0 680.25 694.00 22.32 o -6 2 0 7263.35 7105.60 119.54 o -5 2 0 7664.24 7354.13 121.72 o -4 2 0 5505.17 5588.97 92.93 o -3 2 0 179.92 219.70 9.04 o -2 2 0 15216.80 15088.86 283.04 o -1 2 0 8015.99 7978.03 209.42 o 0 2 0 18032.58 17065.71 226.15 o 1 2 0 20525.19 18637.86 300.44 o 2 2 0 525.85 536.16 14.34 o 3 2 0 2237.07 2205.87 80.89 o 4 2 0 7205.41 7379.14 153.34 o 5 2 0 8957.18 9236.04 190.83 o 6 2 0 6395.85 6833.76 226.17 o 7 2 0 906.74 1045.72 67.53 o 8 2 0 164.52 207.01 41.45 o 9 2 0 1935.37 2320.17 121.17 o -10 3 0 222.39 223.94 42.12 o -9 3 0 2026.22 2185.56 99.88 o -8 3 0 6677.95 6649.17 219.85 o -7 3 0 6750.14 6583.05 113.57 o -6 3 0 1092.35 1108.45 27.40 o -5 3 0 46.25 51.88 7.46 o -4 3 0 8523.31 8401.97 118.25 o -3 3 0 28569.84 26851.09 501.84 o -2 3 0 14547.59 13358.73 384.65 o -1 3 0 3134.36 3256.34 65.90 o 0 3 0 1864.27 2057.86 30.21 o 1 3 0 9931.97 9815.63 132.23 o 2 3 0 8726.92 8428.58 115.89 o 3 3 0 12632.81 12053.16 241.20 o 4 3 0 3164.03 2920.80 70.39 o 5 3 0 195.31 211.14 21.76 o 6 3 0 1989.60 2248.57 101.15 o 7 3 0 5109.21 5806.75 210.40 o 8 3 0 3646.40 4391.48 178.72 o -10 4 0 4572.45 4643.30 174.79 o -9 4 0 2958.34 2781.47 113.99 o -8 4 0 69.11 77.47 10.68 o -7 4 0 2407.42 2325.88 42.23 o -6 4 0 9618.13 9276.32 133.19 o -5 4 0 10777.20 9883.51 430.96 o -4 4 0 3226.95 3148.51 57.54 o -3 4 0 13.59 36.05 7.88 o -2 4 0 1104.42 1126.54 30.18 o -1 4 0 11841.79 12187.91 229.79 o 0 4 0 13143.64 13215.68 176.90 o 1 4 0 10393.36 10099.37 136.94 o 2 4 0 3793.79 3837.16 57.19 o 3 4 0 2530.97 2444.56 47.79 o 4 4 0 9511.96 9127.06 151.95 o 5 4 0 6834.09 6641.68 116.58 o 6 4 0 3613.68 3820.03 98.18 o 7 4 0 684.10 823.31 46.59 o -10 5 0 527.62 560.57 54.18 o -9 5 0 3569.41 3497.91 133.93 o -8 5 0 3864.53 3799.03 64.53 o -7 5 0 6577.64 6278.81 95.75 o -6 5 0 1185.23 1128.70 29.86 o -5 5 0 228.76 253.68 13.94 o -4 5 0 2435.87 2429.88 72.79 o -3 5 0 13371.23 12704.13 243.51 o -2 5 0 13381.01 13503.41 256.48 o -1 5 0 6158.10 6582.33 103.92 o 0 5 0 79.72 116.35 5.96 o 1 5 0 4410.97 4507.02 65.22 o 2 5 0 6036.87 5922.20 100.33 o 3 5 0 3725.58 3607.11 93.43 o 4 5 0 1887.94 1918.78 44.24 o 5 5 0 57.84 82.60 28.83 o 6 5 0 1496.36 1584.30 75.20 o 7 5 0 2234.55 2669.67 112.48 o -10 6 0 3873.23 3822.03 148.17 o -9 6 0 1826.68 1688.14 81.34 o -8 6 0 47.69 56.08 13.64 o -7 6 0 2333.35 2289.06 63.77 o -6 6 0 6483.24 6144.14 109.40 o -5 6 0 6056.76 5941.39 174.36 o -4 6 0 5864.41 5653.26 97.71 o -3 6 0 15.06 85.75 21.12 o -2 6 0 1768.36 1864.94 47.48 o -1 6 0 5920.44 5972.61 121.99 o 0 6 0 9741.92 9900.65 194.13 o 1 6 0 1332.24 1332.31 38.06 o 2 6 0 23.90 71.93 30.20 o 3 6 0 1021.70 967.08 33.91 o 4 6 0 3431.84 3253.98 78.97 o 5 6 0 4142.67 4280.72 143.76 o 6 6 0 2448.37 2688.53 109.84 o -10 7 0 322.06 320.08 42.80 o -9 7 0 3457.93 3370.48 88.82 o -8 7 0 4271.50 3900.17 276.57 o -7 7 0 3461.17 3335.88 79.76 o -6 7 0 1057.24 975.29 36.28 o -5 7 0 688.66 728.74 43.33 o -4 7 0 5956.90 5803.57 136.76 o -3 7 0 9681.85 9671.58 192.64 o -2 7 0 5889.23 5793.49 121.67 o -1 7 0 2612.89 2644.99 64.07 o 0 7 0 117.97 129.76 14.44 o 1 7 0 2904.09 2826.07 68.67 o 2 7 0 6054.28 5834.44 128.43 o 3 7 0 5140.43 4855.03 117.66 o 4 7 0 917.69 864.08 36.98 o 5 7 0 101.77 103.57 32.70 o -9 8 0 823.05 825.50 56.28 o -8 8 0 11.31 -3.01 16.91 o -7 8 0 1170.88 1128.56 43.59 o -6 8 0 6929.27 6348.04 200.09 o -5 8 0 6130.58 5712.88 125.69 o -4 8 0 4048.90 3916.49 91.37 o -3 8 0 252.32 286.00 21.36 o -2 8 0 1870.57 1872.42 52.42 o -1 8 0 3124.54 3033.92 74.00 o 0 8 0 4342.59 4309.25 98.30 o 1 8 0 3042.76 2920.68 73.46 o 2 8 0 583.89 575.84 30.29 o 3 8 0 422.16 394.46 27.37 o 4 8 0 2176.49 2045.60 63.69 o -8 9 0 3834.46 3591.95 131.75 o -7 9 0 2289.01 2161.69 95.07 o -6 9 0 183.25 160.20 30.85 o -5 9 0 210.20 239.25 22.70 o -4 9 0 2562.15 2485.26 162.91 o -3 9 0 5488.51 5359.96 119.72 o -2 9 0 3172.73 3122.14 78.76 o -1 9 0 1011.51 968.74 38.14 o 0 9 0 20.27 32.99 15.72 o 1 9 0 1578.40 1603.55 53.27 o 2 9 0 2854.15 2950.22 79.51 o -7 10 0 1327.57 1210.69 71.11 o -6 10 0 3604.30 3329.82 127.20 o -5 10 0 3785.63 3763.36 184.56 o -4 10 0 1205.71 1163.00 45.83 o -3 10 0 31.00 7.04 30.60 o -2 10 0 546.66 526.55 31.86 o -1 10 0 3263.13 3327.80 86.97 o 0 10 0 3557.87 3478.15 90.31 o -5 11 0 221.92 274.37 28.89 o -4 11 0 1764.00 1659.00 57.88 o -3 11 0 3624.23 3631.67 118.58 o 2 -11 1 3330.46 3255.80 88.38 o 3 -11 1 3431.93 3458.11 92.01 o 4 -11 1 594.82 573.32 35.82 o 5 -11 1 84.42 84.33 23.90 o -1 -10 1 3228.78 3070.22 128.90 o 0 -10 1 2905.99 2840.49 78.06 o 1 -10 1 1560.94 1512.71 51.94 o 2 -10 1 289.96 278.20 25.51 o 3 -10 1 492.68 477.97 31.12 o 4 -10 1 3109.72 2959.71 79.53 o 5 -10 1 3750.43 3719.53 95.30 o 6 -10 1 1968.32 1868.12 88.74 o 7 -10 1 37.06 38.46 28.37 o -3 -9 1 3119.70 2891.78 79.92 o -2 -9 1 2215.94 2167.25 64.77 o -1 -9 1 380.98 378.40 26.53 o 0 -9 1 477.44 471.12 28.56 o 1 -9 1 2632.89 2534.29 68.21 o 2 -9 1 4947.64 4813.60 110.38 o 3 -9 1 4810.31 4666.10 108.02 o 4 -9 1 942.94 921.41 49.56 o 5 -9 1 626.90 594.93 33.00 o 6 -9 1 3648.01 3441.55 129.89 o 7 -9 1 4121.26 3947.02 146.07 o 8 -9 1 2836.14 2659.14 77.34 o -4 -8 1 1077.17 1038.90 47.18 o -3 -8 1 43.27 50.31 17.50 o -2 -8 1 1359.26 1308.39 46.93 o -1 -8 1 7176.35 7072.32 149.08 o 0 -8 1 11895.73 11615.41 230.96 o 1 -8 1 3957.01 3743.70 87.28 o 2 -8 1 64.71 75.29 26.79 o 3 -8 1 2551.17 2382.59 88.38 o 4 -8 1 5115.35 5076.12 114.32 o 5 -8 1 5894.65 5664.69 182.30 o 6 -8 1 3635.74 3381.74 123.95 o 7 -8 1 208.12 237.64 35.23 o 8 -8 1 601.37 590.59 43.93 o -5 -7 1 491.70 540.14 32.03 o -4 -7 1 3401.95 3270.69 81.15 o -3 -7 1 6039.92 5633.25 122.09 o -2 -7 1 4309.64 4033.54 91.31 o -1 -7 1 2074.99 2010.50 53.23 o 0 -7 1 318.27 298.67 19.40 o 1 -7 1 4577.07 4550.74 99.24 o 2 -7 1 7747.85 7569.22 154.91 o 3 -7 1 5360.09 5212.82 113.07 o 4 -7 1 826.88 759.59 32.34 o 5 -7 1 33.00 38.57 20.05 o 6 -7 1 3624.45 3525.91 97.06 o 7 -7 1 5011.70 4813.77 92.17 o 8 -7 1 3567.72 3545.44 74.47 o 9 -7 1 1239.60 1282.66 59.17 o 10 -7 1 31.67 50.20 33.91 o -6 -6 1 2805.50 2832.96 109.01 o -5 -6 1 3167.01 3037.42 62.94 o -4 -6 1 2134.06 1982.76 53.84 o -3 -6 1 298.87 315.01 19.76 o -2 -6 1 5718.53 5532.55 115.59 o -1 -6 1 7768.05 7527.78 150.85 o 0 -6 1 9043.93 9049.02 178.03 o 1 -6 1 2171.32 2300.60 55.60 o 2 -6 1 68.39 81.82 11.57 o 3 -6 1 3771.67 3860.39 69.08 o 4 -6 1 8488.40 8082.34 135.33 o 5 -6 1 7739.77 7680.22 162.87 o 6 -6 1 5871.80 5608.12 125.77 o 7 -6 1 140.93 161.15 14.83 o 8 -6 1 1266.26 1326.86 37.93 o 9 -6 1 4001.42 4217.98 108.95 o 10 -6 1 2806.27 2949.67 125.00 o -7 -5 1 2072.30 2302.59 98.27 o -6 -5 1 50.40 41.42 27.32 o -5 -5 1 1488.88 1430.51 38.89 o -4 -5 1 6841.83 6551.74 152.76 o -3 -5 1 12138.50 11791.27 191.15 o -2 -5 1 5826.41 5739.23 96.94 o -1 -5 1 602.75 661.35 17.57 o 0 -5 1 2625.94 2677.23 59.97 o 1 -5 1 10285.88 10011.36 193.40 o 2 -5 1 14124.31 13710.73 216.97 o 3 -5 1 13022.35 12631.14 238.51 o 4 -5 1 348.33 322.64 17.84 o 5 -5 1 731.00 803.25 53.16 o 6 -5 1 5991.05 5915.50 105.06 o 7 -5 1 8140.40 7952.51 138.01 o 8 -5 1 3383.50 3518.04 139.58 o 9 -5 1 965.62 1051.63 45.97 o 10 -5 1 162.30 206.33 39.38 o -8 -4 1 120.34 22.65 32.49 o -7 -4 1 2888.15 3312.56 132.14 o -6 -4 1 6151.46 6746.41 281.15 o -5 -4 1 4688.67 4693.72 109.30 o -4 -4 1 1610.86 1608.65 31.38 o -3 -4 1 162.54 182.60 28.32 o -2 -4 1 6805.72 6684.46 109.72 o -1 -4 1 13751.34 13854.98 217.10 o 0 -4 1 14497.28 14628.55 274.28 o 1 -4 1 4902.42 5057.29 101.72 o 2 -4 1 382.77 421.79 18.70 o 3 -4 1 5677.79 5867.94 143.67 o 4 -4 1 20728.99 19880.20 390.09 o 5 -4 1 14095.08 14117.55 228.85 o 6 -4 1 4556.11 4472.79 69.36 o 7 -4 1 180.53 231.86 13.72 o 8 -4 1 489.99 464.00 42.34 o 9 -4 1 3299.33 3505.12 139.02 o 10 -4 1 3900.19 3954.26 156.33 o -8 -3 1 3284.53 3836.93 102.17 o -7 -3 1 2904.30 3082.95 127.74 o -6 -3 1 99.47 118.71 17.65 o -5 -3 1 1830.23 1910.02 53.04 o -4 -3 1 8370.00 8146.01 115.62 o -3 -3 1 10546.10 10225.05 163.09 o -2 -3 1 7367.28 7336.81 288.60 o -1 -3 1 3486.71 3559.68 71.15 o 0 -3 1 1233.75 1320.95 30.93 o 1 -3 1 12084.80 12111.38 277.19 o 2 -3 1 14699.95 13890.53 303.11 o 3 -3 1 13219.83 13184.86 260.33 o 4 -3 1 1150.40 1234.95 32.69 o 5 -3 1 1702.94 1743.45 35.38 o 6 -3 1 5109.36 5017.10 87.22 o 7 -3 1 5847.79 5852.10 128.56 o 8 -3 1 2820.29 2856.70 116.11 o 9 -3 1 720.33 722.12 57.41 o 10 -3 1 76.72 111.75 39.32 o -9 -2 1 521.67 687.50 66.27 o -8 -2 1 223.58 291.84 46.03 o -7 -2 1 4093.09 4544.84 165.15 o -6 -2 1 6470.66 6770.19 145.51 o -5 -2 1 5124.07 5446.94 118.57 o -4 -2 1 2061.46 2099.39 52.17 o -3 -2 1 85.06 105.06 16.05 o -2 -2 1 4131.77 3999.64 82.65 o -1 -2 1 27683.67 25942.34 397.56 o 0 -2 1 18779.47 18193.18 283.80 o 1 -2 1 355.24 459.45 8.96 o 2 -2 1 13320.23 13251.88 270.80 o 3 -2 1 14197.94 14395.83 224.78 o 4 -2 1 7181.91 7080.09 115.53 o 5 -2 1 9241.71 8990.80 146.35 o 6 -2 1 4619.50 4733.17 121.74 o 7 -2 1 9.62 7.37 21.29 o 8 -2 1 1306.02 1450.72 76.36 o 9 -2 1 4165.87 4374.60 166.18 o 10 -2 1 4249.43 4606.53 181.11 o -9 -1 1 4036.42 4510.95 177.45 o -8 -1 1 3850.64 4113.76 156.14 o -7 -1 1 2977.18 3130.94 87.64 o -6 -1 1 17.87 32.16 10.97 o -5 -1 1 2473.31 2600.69 62.01 o -4 -1 1 16775.16 17193.30 336.37 o -3 -1 1 23935.07 23891.22 460.91 o -2 -1 1 3324.44 3421.55 67.79 o -1 -1 1 581.20 621.95 14.14 o 0 -1 1 5924.40 5761.63 283.59 o 1 -1 1 16224.95 15368.20 433.45 o 2 -1 1 29174.54 26536.80 355.89 o 3 -1 1 13728.25 13217.10 208.15 o 4 -1 1 2120.93 2198.21 41.81 o 5 -1 1 447.90 462.81 14.47 o 6 -1 1 7884.08 8117.83 135.05 o 7 -1 1 7425.63 7908.23 256.29 o 8 -1 1 4225.34 4511.17 166.69 o 9 -1 1 353.96 401.71 52.24 o -10 0 1 1924.74 2197.51 113.37 o -9 0 1 260.39 286.92 42.66 o -8 0 1 206.76 217.21 34.72 o -7 0 1 4726.98 4661.52 104.66 o -6 0 1 11403.44 11453.27 187.59 o -5 0 1 10061.25 10222.34 166.95 o -4 0 1 7140.25 7600.83 124.79 o -3 0 1 972.20 1092.16 36.93 o -2 0 1 4848.82 4978.64 135.82 o -1 0 1 12933.37 12279.11 242.36 o 0 0 1 17659.47 15846.37 832.92 o 1 0 1 3048.70 3050.25 83.49 o 2 0 1 261.15 349.01 9.06 o 3 0 1 9966.15 10107.78 160.07 o 4 0 1 9743.25 9637.09 154.96 o 5 0 1 6529.57 6833.67 141.34 o 6 0 1 3529.94 3908.88 141.68 o 7 0 1 5.75 33.24 24.55 o 8 0 1 1818.95 1944.32 97.30 o 9 0 1 3155.78 3592.14 150.65 o -10 1 1 1798.78 1862.58 99.37 o -9 1 1 5688.79 5694.70 201.81 o -8 1 1 5491.40 5249.62 181.87 o -7 1 1 2951.31 2977.53 100.54 o -6 1 1 2.26 6.29 7.41 o -5 1 1 2790.92 2751.98 51.35 o -4 1 1 11227.61 10928.71 209.81 o -3 1 1 22027.62 20135.45 530.02 o -2 1 1 4677.51 4599.93 133.12 o -1 1 1 355.52 467.88 8.20 o 0 1 1 6983.72 7048.22 94.98 o 1 1 1 3410.14 3398.33 55.78 o 2 1 1 10691.69 10395.61 203.14 o 3 1 1 10237.15 10302.85 163.96 o 4 1 1 526.59 551.78 18.85 o 5 1 1 312.87 319.85 16.68 o 6 1 1 4674.07 5036.05 177.35 o 7 1 1 3878.02 4430.96 165.42 o 8 1 1 2059.50 2350.85 113.99 o 9 1 1 565.99 588.78 65.84 o -10 2 1 2381.13 2386.30 111.40 o -9 2 1 268.53 311.74 40.91 o -8 2 1 635.45 675.64 31.12 o -7 2 1 6055.97 5995.94 105.29 o -6 2 1 12752.16 12117.40 197.13 o -5 2 1 5104.50 4854.86 83.88 o -4 2 1 892.66 913.78 35.12 o -3 2 1 633.60 682.11 35.91 o -2 2 1 4657.55 4704.14 122.94 o -1 2 1 9767.61 9670.17 179.67 o 0 2 1 24234.18 22486.36 443.90 o 1 2 1 5517.50 5500.43 88.55 o 2 2 1 244.07 267.45 14.17 o 3 2 1 9448.63 9283.31 186.86 o 4 2 1 11931.20 11261.11 181.52 o 5 2 1 4168.32 3864.96 141.39 o 6 2 1 469.64 486.66 47.75 o 7 2 1 46.89 67.77 31.33 o 8 2 1 742.73 846.20 73.45 o -10 3 1 1626.56 1636.11 90.79 o -9 3 1 3969.40 3795.49 143.49 o -8 3 1 5343.08 5142.65 94.07 o -7 3 1 2215.91 2217.34 59.83 o -6 3 1 25.43 33.46 6.99 o -5 3 1 2527.79 2448.53 55.91 o -4 3 1 13502.99 13215.21 223.12 o -3 3 1 19720.73 18532.88 281.94 o -2 3 1 11591.63 11619.71 178.35 o -1 3 1 336.97 387.97 14.98 o 0 3 1 13474.30 13807.59 183.89 o 1 3 1 15543.94 14971.54 230.73 o 2 3 1 8657.44 8402.57 135.82 o 3 3 1 7337.06 6976.22 116.73 o 4 3 1 1325.69 1304.35 58.58 o 5 3 1 140.00 114.20 29.01 o 6 3 1 3200.20 3310.52 135.17 o 7 3 1 4915.68 5409.12 202.30 o 8 3 1 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