#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/26/2232698.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_2232698_Fobs loop_ _publ_author_name 'Shahverdizadeh, Gholam Hossein' 'Tiekink, Edward R. T.' 'Mirtamizdoust, Babak' _publ_section_title ; catena-Poly[[lead(II)-\m-N'-[1-(pyridin-2-yl-\kN)ethylidene]isonicotinohydrazidato-\k^3^N',O:N^1^] perchlorate] ; _journal_coeditor_code HB6465 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1727 _journal_page_last m1728 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 99.174 _cell_angle_gamma 90.000 _cell_length_a 10.0620 _cell_length_b 14.4431 _cell_length_c 11.1456 _exptl_crystal_F_000 1024.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file hb6465Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' M5 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 440.33 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 2 0 0 12410.22 11505.30 327.38 o 4 0 0 100603.88 107648.14 2944.36 o 6 0 0 11713.28 10871.01 347.84 o 8 0 0 10231.41 9682.21 337.61 o 10 0 0 15110.89 13823.55 472.65 o 1 1 0 3633.67 3465.80 60.61 o 2 1 0 10855.58 12080.25 395.92 o 3 1 0 5162.98 5304.28 120.06 o 4 1 0 103.38 218.82 28.94 o 5 1 0 8563.13 9371.02 210.51 o 6 1 0 1360.00 1447.54 66.55 o 7 1 0 3883.45 3643.04 116.41 o 8 1 0 327.50 349.02 86.96 o 9 1 0 5700.15 5732.95 181.88 o 10 1 0 35.33 -35.30 39.85 o 11 1 0 3850.13 3852.83 216.89 o 0 2 0 68958.09 71494.88 1393.76 o 1 2 0 5234.75 5933.19 78.60 o 2 2 0 71908.34 74857.33 1017.95 o 3 2 0 378.80 433.46 20.04 o 4 2 0 55774.63 57448.86 756.58 o 5 2 0 1424.97 1259.06 36.70 o 6 2 0 31586.09 31463.28 430.37 o 7 2 0 140.35 128.34 33.08 o 8 2 0 16716.11 16981.67 254.13 o 9 2 0 944.30 969.20 60.44 o 10 2 0 5707.19 6095.38 272.13 o 11 2 0 112.40 29.08 59.49 o 1 3 0 9573.29 9947.95 145.71 o 2 3 0 3401.79 3750.19 62.32 o 3 3 0 969.99 1012.46 26.63 o 4 3 0 1574.82 1484.25 43.20 o 5 3 0 7103.69 7052.51 112.23 o 6 3 0 573.17 574.18 31.26 o 7 3 0 7241.08 7430.56 125.11 o 8 3 0 350.78 419.40 44.39 o 9 3 0 3271.09 3412.27 136.44 o 10 3 0 117.02 31.06 82.87 o 11 3 0 4464.23 4518.92 167.36 o 0 4 0 15449.90 15456.94 315.32 o 1 4 0 115.49 162.92 20.45 o 2 4 0 67515.59 68210.26 838.07 o 3 4 0 1333.91 1284.46 31.78 o 4 4 0 41040.38 42310.29 689.41 o 5 4 0 4831.01 5125.97 92.37 o 6 4 0 26133.56 26027.95 377.98 o 7 4 0 2220.91 2280.55 62.35 o 8 4 0 18044.73 18222.34 332.25 o 9 4 0 391.80 256.09 56.05 o 10 4 0 3691.28 3673.61 142.37 o 11 4 0 120.86 18.32 59.72 o 1 5 0 196.25 251.51 19.91 o 2 5 0 325.03 295.56 21.62 o 3 5 0 533.98 647.43 25.14 o 4 5 0 407.64 339.54 22.18 o 5 5 0 2946.27 2769.17 55.05 o 6 5 0 3359.11 3072.42 70.03 o 7 5 0 4490.98 4524.27 112.50 o 8 5 0 314.68 281.29 54.07 o 9 5 0 3588.44 3674.74 137.43 o 10 5 0 584.34 581.02 74.86 o 11 5 0 3006.66 3067.48 139.98 o 0 6 0 54953.61 56333.54 1112.32 o 1 6 0 1420.60 1449.09 38.69 o 2 6 0 50716.19 51348.28 720.79 o 3 6 0 13739.63 13256.91 203.44 o 4 6 0 30809.28 30753.24 504.17 o 5 6 0 1858.24 1932.80 46.54 o 6 6 0 20081.69 18977.82 497.25 o 7 6 0 6149.42 6131.07 194.38 o 8 6 0 8564.92 8369.48 255.76 o 9 6 0 306.07 335.98 64.91 o 10 6 0 5411.16 4872.86 171.44 o 11 6 0 357.60 282.66 74.25 o 1 7 0 10.03 57.17 28.32 o 2 7 0 152.19 200.83 22.06 o 3 7 0 1461.46 1458.29 44.66 o 4 7 0 8.50 -2.36 21.48 o 5 7 0 1945.18 1984.46 49.15 o 6 7 0 753.93 734.75 48.65 o 7 7 0 2527.12 2539.11 161.64 o 8 7 0 546.14 514.71 67.59 o 9 7 0 3585.65 3424.86 270.09 o 10 7 0 352.60 314.63 71.08 o 0 8 0 37194.45 37960.85 766.55 o 1 8 0 9932.01 9906.45 158.70 o 2 8 0 26776.12 27658.39 403.62 o 3 8 0 6275.20 6468.51 116.29 o 4 8 0 21448.07 20649.25 322.54 o 5 8 0 6481.06 6161.38 116.48 o 6 8 0 16864.64 15138.64 559.61 o 7 8 0 1657.77 1498.18 91.86 o 8 8 0 4442.65 4052.18 212.80 o 9 8 0 2045.39 1926.19 110.62 o 10 8 0 5023.34 5291.80 185.91 o 1 9 0 622.86 748.09 40.23 o 2 9 0 199.79 230.99 28.47 o 3 9 0 614.67 583.93 37.53 o 4 9 0 4065.49 3975.25 86.24 o 5 9 0 967.77 1023.10 58.22 o 6 9 0 669.13 758.36 68.71 o 7 9 0 5002.41 4754.42 405.13 o 8 9 0 1480.82 1701.29 100.36 o 9 9 0 2925.62 2992.48 136.72 o 10 9 0 207.21 224.05 73.79 o 0 10 0 4511.08 4567.00 130.45 o 1 10 0 9554.32 9318.36 165.39 o 2 10 0 23620.21 24153.90 361.85 o 3 10 0 6844.83 6903.09 128.61 o 4 10 0 8447.62 7889.81 171.23 o 5 10 0 1130.32 1185.60 80.67 o 6 10 0 12350.64 11718.53 360.12 o 7 10 0 3423.09 3165.14 130.19 o 8 10 0 4645.27 4509.68 165.66 o 9 10 0 1062.50 999.06 106.40 o 1 11 0 290.98 384.60 35.06 o 2 11 0 102.02 137.74 30.15 o 3 11 0 247.30 230.92 42.72 o 4 11 0 884.21 943.50 62.41 o 5 11 0 1009.84 1009.93 145.27 o 6 11 0 557.06 648.53 73.41 o 7 11 0 1476.85 1416.28 125.84 o 8 11 0 713.67 718.24 87.52 o 9 11 0 800.15 790.28 92.56 o 0 12 0 7071.13 6946.94 186.86 o 1 12 0 5981.01 5914.23 117.53 o 2 12 0 10445.33 11008.32 312.46 o 3 12 0 7291.31 7464.84 261.25 o 4 12 0 6788.19 6642.90 278.27 o 5 12 0 3176.93 2955.70 124.84 o 6 12 0 4052.24 4241.71 245.53 o 7 12 0 3196.31 3113.49 136.00 o 8 12 0 2938.12 2815.72 240.42 o 1 13 0 4.82 -2.38 30.76 o 2 13 0 432.18 479.09 53.03 o 3 13 0 654.91 663.16 71.95 o 4 13 0 122.05 109.06 57.66 o 5 13 0 381.03 393.12 69.62 o 6 13 0 876.90 1005.27 90.84 o 7 13 0 446.57 458.38 77.31 o 0 14 0 7280.11 7702.31 211.33 o 1 14 0 6456.40 6577.88 194.93 o 2 14 0 3712.89 3654.88 121.89 o 3 14 0 5518.61 5345.47 173.17 o 4 14 0 3492.74 3377.41 137.08 o 5 14 0 3377.85 3204.02 257.81 o 6 14 0 1675.75 1758.55 113.24 o 1 15 0 63.29 49.05 48.70 o 2 15 0 275.41 239.96 61.93 o 3 15 0 738.31 780.67 216.89 o 4 15 0 278.63 181.86 67.26 o 5 15 0 345.76 241.14 72.54 o 0 16 0 2515.82 2696.78 190.29 o 1 16 0 4495.51 4417.56 241.44 o 2 16 0 2372.00 2652.57 128.16 o 3 16 0 2502.43 2585.25 211.77 o 4 16 0 1111.65 1235.42 120.72 o 1 17 0 38.87 87.98 108.44 o -11 0 1 7883.02 8544.58 339.66 o -9 0 1 16249.58 16487.59 529.94 o -7 0 1 24458.48 23949.77 707.96 o -5 0 1 23407.87 23610.12 677.26 o -3 0 1 67610.20 72113.27 1972.45 o -1 0 1 43382.14 46955.30 796.00 o 1 0 1 33315.16 32253.28 491.84 o 3 0 1 18859.37 19880.05 568.82 o 5 0 1 271.21 243.49 51.15 o 7 0 1 3525.53 3351.54 161.64 o 9 0 1 109.64 196.43 83.89 o 11 0 1 218.78 291.07 75.12 o -11 1 1 4.90 113.11 61.38 o -10 1 1 833.57 911.48 53.69 o -9 1 1 590.20 634.88 43.66 o -8 1 1 3695.83 3595.74 94.76 o -7 1 1 385.97 434.64 38.95 o -6 1 1 8345.78 8441.70 158.65 o -5 1 1 92.11 138.95 23.21 o -4 1 1 29788.59 30646.79 515.53 o -3 1 1 657.02 759.33 23.96 o -2 1 1 21240.93 21635.34 299.84 o -1 1 1 561.08 465.81 16.54 o 0 1 1 82745.11 80916.33 1100.30 o 1 1 1 3072.96 3510.90 89.65 o 2 1 1 41893.08 43818.03 585.25 o 3 1 1 714.83 601.19 38.98 o 4 1 1 43669.54 44454.84 599.16 o 5 1 1 4.63 5.12 28.94 o 6 1 1 36717.27 36556.21 1027.15 o 7 1 1 152.21 212.82 37.97 o 8 1 1 17450.15 17635.19 307.44 o 9 1 1 46.68 28.23 40.92 o 10 1 1 14336.55 14686.92 327.44 o 11 1 1 2.72 43.69 45.29 o -11 2 1 6909.61 6613.04 290.55 o -10 2 1 54.06 55.67 48.18 o -9 2 1 17100.25 16883.09 231.71 o -8 2 1 483.68 541.34 39.04 o -7 2 1 24172.95 24880.96 363.95 o -6 2 1 33.77 72.46 21.85 o -5 2 1 23483.00 22302.96 320.73 o -4 2 1 4658.88 4798.59 87.71 o -3 2 1 35021.37 36894.62 509.40 o -2 2 1 9505.63 10589.73 131.39 o -1 2 1 20257.40 21782.11 349.05 o 0 2 1 2788.35 3237.75 60.42 o 1 2 1 26535.28 26932.48 436.19 o 2 2 1 2449.47 2347.90 59.07 o 3 2 1 12963.89 12962.71 189.07 o 4 2 1 2961.19 2720.67 64.21 o 5 2 1 1992.58 2200.43 77.44 o 6 2 1 215.87 189.56 32.02 o 7 2 1 620.04 649.59 37.82 o 8 2 1 259.08 279.04 51.78 o 9 2 1 21.79 -40.51 40.76 o 10 2 1 233.10 174.50 49.58 o 11 2 1 74.39 22.51 96.17 o -11 3 1 22.65 -8.68 150.39 o -10 3 1 118.16 63.93 52.44 o -9 3 1 544.28 539.80 64.08 o -8 3 1 3202.54 3191.85 66.66 o -7 3 1 72.42 53.42 22.64 o -6 3 1 12540.50 12290.93 164.69 o -5 3 1 45.85 38.43 16.05 o -4 3 1 18307.07 18635.28 232.41 o -3 3 1 4749.33 5054.37 73.19 o -2 3 1 62211.25 62981.11 773.40 o -1 3 1 250.34 249.89 22.53 o 0 3 1 41716.96 41291.26 574.06 o 1 3 1 17065.82 18073.25 299.15 o 2 3 1 71500.43 73845.36 1047.82 o 3 3 1 555.16 567.03 23.64 o 4 3 1 51402.85 51489.17 711.28 o 5 3 1 2464.16 2410.81 75.12 o 6 3 1 24587.23 24684.88 410.04 o 7 3 1 786.41 754.47 51.96 o 8 3 1 21186.25 20918.48 355.15 o 9 3 1 480.69 495.13 52.05 o 10 3 1 8712.46 9242.30 364.21 o 11 3 1 235.99 156.45 65.25 o -11 4 1 7873.11 7842.87 231.37 o -10 4 1 546.80 574.10 72.17 o -9 4 1 12166.02 11797.59 291.53 o -8 4 1 402.22 464.32 65.55 o -7 4 1 16318.73 16607.72 262.67 o -6 4 1 984.36 1097.96 51.09 o -5 4 1 39494.05 40479.77 567.31 o -4 4 1 748.23 722.49 40.46 o -3 4 1 12079.13 12493.12 221.14 o -2 4 1 266.67 243.08 16.33 o -1 4 1 37426.24 38675.05 679.38 o 0 4 1 1067.08 1133.20 36.92 o 1 4 1 7638.63 7396.74 115.97 o 2 4 1 6804.96 6949.33 112.95 o 3 4 1 6518.07 6658.32 141.84 o 4 4 1 134.61 175.34 20.59 o 5 4 1 4821.26 4563.18 119.81 o 6 4 1 185.63 332.57 69.22 o 7 4 1 17.90 -9.74 41.88 o 8 4 1 192.58 125.35 52.44 o 9 4 1 37.74 31.46 51.55 o 10 4 1 6.43 -73.94 65.48 o 11 4 1 98.83 57.47 64.40 o -11 5 1 139.19 166.40 65.80 o -10 5 1 480.64 441.59 73.66 o -9 5 1 252.09 312.10 59.27 o -8 5 1 3366.50 3500.52 125.85 o -7 5 1 2380.16 2273.08 141.75 o -6 5 1 10164.77 10007.46 204.96 o -5 5 1 313.41 387.85 30.98 o -4 5 1 11059.66 10753.04 166.83 o -3 5 1 4188.11 3973.01 63.52 o -2 5 1 29952.67 28661.59 361.00 o -1 5 1 979.38 1022.90 29.47 o 0 5 1 27674.93 26749.90 380.22 o 1 5 1 250.97 248.56 24.51 o 2 5 1 43587.83 45067.78 870.64 o 3 5 1 6102.96 5936.35 103.51 o 4 5 1 46870.40 47373.69 593.27 o 5 5 1 4996.50 5231.85 86.06 o 6 5 1 21331.45 20848.36 367.23 o 7 5 1 3566.10 3521.50 106.13 o 8 5 1 14409.80 14415.94 459.84 o 9 5 1 1320.31 1320.40 170.85 o 10 5 1 7055.31 6942.19 211.22 o 11 5 1 223.96 149.90 178.01 o -11 6 1 5286.64 5649.28 577.00 o -10 6 1 973.44 1060.48 89.39 o -9 6 1 8874.31 8450.28 233.66 o -8 6 1 312.25 326.03 56.48 o -7 6 1 16613.04 16365.18 373.27 o -6 6 1 5607.55 5505.88 122.77 o -5 6 1 19940.95 19932.78 262.85 o -4 6 1 2199.24 2310.74 48.03 o -3 6 1 26046.85 26099.19 333.86 o -2 6 1 3026.76 3001.67 73.24 o -1 6 1 17414.67 17596.43 257.38 o 0 6 1 2953.11 2820.29 94.51 o 1 6 1 16120.59 16834.59 249.75 o 2 6 1 240.60 295.86 25.06 o 3 6 1 6228.40 6097.98 107.87 o 4 6 1 4730.53 4427.51 88.61 o 5 6 1 3700.31 3618.87 80.99 o 6 6 1 290.22 310.64 52.57 o 7 6 1 477.66 521.26 48.24 o 8 6 1 2.86 -0.74 49.15 o 9 6 1 37.90 -41.45 51.62 o 10 6 1 20.55 152.10 66.13 o -10 7 1 1745.52 1604.33 103.08 o -9 7 1 837.87 776.97 115.61 o -8 7 1 999.05 1179.11 84.41 o -7 7 1 229.53 194.38 47.75 o -6 7 1 2111.43 2120.10 72.00 o -5 7 1 1225.67 1317.23 45.89 o -4 7 1 9736.90 9062.99 131.45 o -3 7 1 979.91 973.60 36.27 o -2 7 1 15251.13 15671.78 234.56 o -1 7 1 4210.75 4269.61 78.36 o 0 7 1 35478.75 35865.05 510.58 o 1 7 1 8536.36 8940.09 144.33 o 2 7 1 23795.25 23394.89 344.08 o 3 7 1 4535.83 4293.07 103.57 o 4 7 1 17862.45 18394.87 282.21 o 5 7 1 4425.03 4448.96 104.84 o 6 7 1 19967.19 19958.13 310.13 o 7 7 1 1160.61 1134.33 81.74 o 8 7 1 11180.93 10685.71 328.40 o 9 7 1 2082.11 2201.88 117.17 o 10 7 1 7495.17 7591.51 233.63 o -10 8 1 1682.28 1746.37 111.29 o -9 8 1 4135.44 4119.21 152.59 o -8 8 1 1321.46 1091.28 82.32 o -7 8 1 10660.45 10450.33 266.91 o -6 8 1 5408.01 5586.29 164.21 o -5 8 1 6675.55 6583.57 120.91 o -4 8 1 3332.22 3062.71 84.85 o -3 8 1 27766.88 27355.06 399.17 o -2 8 1 5780.45 5675.15 101.14 o -1 8 1 16330.95 16336.33 340.52 o 0 8 1 2418.10 2464.13 57.57 o 1 8 1 7799.23 7642.42 129.77 o 2 8 1 377.46 307.01 45.21 o 3 8 1 5988.09 6065.33 156.82 o 4 8 1 1662.10 1647.47 56.41 o 5 8 1 383.84 455.38 38.49 o 6 8 1 221.82 261.06 44.42 o 7 8 1 734.51 881.99 100.26 o 8 8 1 288.87 283.00 65.11 o 9 8 1 0.08 -79.72 58.31 o 10 8 1 40.08 -14.74 63.79 o -10 9 1 203.70 92.82 67.95 o -9 9 1 1085.09 1145.45 121.74 o -8 9 1 232.42 283.83 62.01 o -7 9 1 156.91 125.90 81.84 o -6 9 1 2297.26 2393.71 105.59 o -5 9 1 3120.44 3147.00 115.64 o -4 9 1 7673.28 7551.41 164.75 o -3 9 1 4331.05 4353.32 90.67 o -2 9 1 12887.49 12629.55 199.88 o -1 9 1 5299.85 5382.90 99.87 o 0 9 1 16031.22 15516.60 238.46 o 1 9 1 7761.87 7960.27 136.65 o 2 9 1 13637.39 13344.02 272.38 o 3 9 1 2865.35 2844.25 72.24 o 4 9 1 12468.71 12041.26 215.59 o 5 9 1 3507.50 3398.81 83.62 o 6 9 1 15875.61 15290.79 294.09 o 7 9 1 3715.02 3692.90 168.80 o 8 9 1 8347.55 8145.79 372.39 o 9 9 1 1549.74 1437.29 107.42 o -9 10 1 3626.78 3489.08 236.33 o -8 10 1 3299.00 3189.62 141.18 o -7 10 1 7037.89 6798.09 203.94 o -6 10 1 975.90 1119.90 79.42 o -5 10 1 8010.11 7907.10 276.23 o -4 10 1 3804.46 3484.03 274.18 o -3 10 1 7931.51 8131.59 171.94 o -2 10 1 2731.78 2827.01 80.03 o -1 10 1 5305.08 5266.16 101.92 o 0 10 1 3177.87 2981.51 80.33 o 1 10 1 6194.62 5791.90 131.72 o 2 10 1 2698.07 2838.12 81.51 o 3 10 1 2495.44 2472.76 69.36 o 4 10 1 107.13 158.25 33.25 o 5 10 1 1420.82 1355.50 71.49 o 6 10 1 398.47 379.77 61.76 o 7 10 1 112.73 82.15 57.82 o 8 10 1 2.40 -64.38 53.90 o 9 10 1 32.01 -23.72 63.61 o -9 11 1 323.37 251.81 72.17 o -8 11 1 343.68 329.42 100.26 o -7 11 1 949.76 866.05 107.42 o -6 11 1 3914.27 3887.41 145.94 o -5 11 1 2536.80 2582.80 121.74 o -4 11 1 1315.95 1218.08 82.87 o -3 11 1 5236.78 5344.54 132.57 o -2 11 1 9814.16 9729.11 197.92 o -1 11 1 3270.04 3252.71 76.74 o 0 11 1 6084.61 6018.57 126.40 o 1 11 1 5790.24 5857.71 114.43 o 2 11 1 10349.04 10321.42 177.95 o 3 11 1 6171.52 6149.24 123.33 o 4 11 1 13270.66 12453.76 249.09 o 5 11 1 3603.31 3455.71 129.48 o 6 11 1 4069.38 3952.07 153.46 o 7 11 1 4897.43 4644.38 167.10 o 8 11 1 5758.73 5469.30 189.52 o -8 12 1 2103.40 1997.42 126.86 o -7 12 1 3655.04 3697.80 149.70 o -6 12 1 3220.37 3322.68 462.42 o -5 12 1 7763.75 7478.17 276.23 o -4 12 1 2393.14 2230.92 117.65 o -3 12 1 3121.54 2886.76 114.96 o -2 12 1 1398.67 1292.82 68.45 o -1 12 1 3866.98 3898.64 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