#------------------------------------------------------------------------------ #$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $ #$Revision: 1024 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225046.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_2225046_Fobs loop_ _publ_author_name 'Starosta, Wojciech' 'Leciejewicz, Janusz' _publ_section_title ; catena-Poly[lead(II)-bis(\m~2~-pyridazine-3-carboxylato-\k^3^N^2^,O:O)] ; _journal_coeditor_code KP2247 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m192 _journal_volume 66 _journal_year 2010 _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 93.720 _cell_angle_gamma 90.000 _cell_length_a 8.0336 _cell_length_b 10.3862 _cell_length_c 13.7660 _exptl_crystal_F_000 832.00 _reflns_d_resolution_high 0.7091 _[local]_cod_data_source_file kp2247Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Pbazym4s in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 320.72 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+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 30969.88 42518.75 258.25 o 4 0 0 90984.80 115308.40 587.58 o 6 0 0 27375.69 34647.24 451.65 o 8 0 0 22880.32 26549.71 517.67 o 10 0 0 8192.37 8713.85 376.31 o 1 1 0 90.99 193.40 18.25 o 2 1 0 12.70 -20.19 92.43 o 3 1 0 99.36 259.42 36.12 o 4 1 0 245.42 358.84 46.99 o 5 1 0 286.31 146.41 189.52 o 6 1 0 3.09 -207.38 230.29 o 7 1 0 161.47 117.28 266.80 o 8 1 0 4.80 469.52 286.99 o 9 1 0 185.85 212.04 99.03 o 10 1 0 22.56 77.28 402.33 o 11 1 0 209.31 380.20 462.14 o 0 2 0 11322.93 12050.57 126.21 o 1 2 0 15359.36 18703.43 160.78 o 2 2 0 73089.95 89405.69 380.20 o 3 2 0 23226.65 27421.94 267.19 o 4 2 0 33708.96 31202.16 339.03 o 5 2 0 6589.92 5864.90 235.34 o 6 2 0 27115.31 27392.04 451.27 o 7 2 0 14115.03 14908.85 409.71 o 8 2 0 16995.99 17779.93 498.26 o 9 2 0 1524.69 1732.05 110.68 o 10 2 0 9918.15 9361.23 403.11 o 11 2 0 2262.74 2151.47 150.68 o 1 3 0 154.32 159.61 86.60 o 2 3 0 46.11 -26.02 96.70 o 3 3 0 1402.35 1912.64 72.62 o 4 3 0 57.93 -102.53 144.08 o 5 3 0 191.53 226.80 46.99 o 6 3 0 23.41 109.52 59.03 o 7 3 0 798.83 849.33 77.67 o 8 3 0 357.49 106.80 306.80 o 9 3 0 219.31 493.60 350.68 o 10 3 0 37.74 661.75 407.38 o 11 3 0 61.61 608.94 478.45 o 0 4 0 27210.61 28414.18 250.88 o 1 4 0 57704.07 67029.99 379.42 o 2 4 0 18023.83 22544.63 252.43 o 3 4 0 21805.81 26167.18 296.31 o 4 4 0 15396.17 17768.67 278.45 o 5 4 0 21337.72 24419.98 352.62 o 6 4 0 12299.79 13260.29 329.71 o 7 4 0 10353.84 10573.28 345.63 o 8 4 0 4879.52 4387.99 210.10 o 9 4 0 7827.09 6182.96 244.66 o 10 4 0 2506.24 2022.93 125.05 o 1 5 0 1988.83 2187.20 94.37 o 2 5 0 381.88 602.72 38.84 o 3 5 0 23.70 123.88 41.17 o 4 5 0 122.27 118.06 158.84 o 5 5 0 22.74 55.15 193.40 o 6 5 0 117.76 152.23 64.85 o 7 5 0 40.36 186.41 260.97 o 8 5 0 10.52 -136.70 296.70 o 9 5 0 54.59 548.35 332.04 o 10 5 0 329.12 -253.59 397.67 o 0 6 0 667.90 600.00 42.33 o 1 6 0 37277.01 41931.17 387.19 o 2 6 0 3404.23 3953.04 173.21 o 3 6 0 41272.00 46736.25 443.50 o 4 6 0 787.64 928.55 54.76 o 5 6 0 21529.25 25247.17 405.83 o 6 6 0 453.56 460.59 70.68 o 7 6 0 18178.84 20262.28 458.26 o 8 6 0 433.24 -110.29 324.66 o 9 6 0 8787.94 8347.63 399.61 o 10 6 0 757.97 686.61 417.87 o 1 7 0 930.72 1252.05 47.77 o 2 7 0 1242.18 1324.28 61.36 o 3 7 0 38.35 -77.67 184.08 o 4 7 0 5.41 137.48 196.89 o 5 7 0 1002.86 1118.07 70.68 o 6 7 0 482.13 593.40 74.56 o 7 7 0 2.35 396.51 292.04 o 8 7 0 271.61 453.60 326.60 o 9 7 0 42.51 -365.44 395.34 o 0 8 0 3204.87 3370.12 146.02 o 1 8 0 28767.48 29534.97 400.39 o 2 8 0 1096.26 996.12 55.15 o 3 8 0 20786.13 23146.96 391.46 o 4 8 0 1872.42 2228.37 93.98 o 5 8 0 19463.11 21752.00 448.55 o 6 8 0 605.20 397.67 286.60 o 7 8 0 12115.14 13103.39 431.46 o 8 8 0 762.73 631.07 102.14 o 9 8 0 7394.28 7890.15 332.04 o 1 9 0 22.88 -38.45 198.06 o 2 9 0 536.62 523.50 62.52 o 3 9 0 452.95 499.03 66.02 o 4 9 0 58.32 124.66 248.93 o 5 9 0 19.25 260.97 276.51 o 6 9 0 108.25 70.68 295.54 o 7 9 0 220.04 253.98 332.43 o 8 9 0 59.07 400.39 375.93 o 0 10 0 8877.08 8537.93 323.89 o 1 10 0 10607.08 11040.47 347.19 o 2 10 0 6252.76 6501.02 282.33 o 3 10 0 8854.63 9241.62 343.69 o 4 10 0 5358.19 5698.29 248.93 o 5 10 0 7112.75 7007.43 264.47 o 6 10 0 4873.31 4920.81 234.56 o 7 10 0 4741.37 5159.26 210.88 o 8 10 0 2922.86 2948.76 130.87 o 1 11 0 38.93 -267.96 267.96 o 2 11 0 116.91 59.81 273.79 o 3 11 0 126.72 -69.90 293.21 o 4 11 0 55.57 -66.41 310.29 o 5 11 0 9.12 -111.46 328.55 o 6 11 0 27.45 489.32 363.11 o 7 11 0 12.77 530.10 396.51 o 0 12 0 10134.08 10042.79 405.44 o 1 12 0 1996.28 1758.07 91.65 o 2 12 0 9959.00 9905.70 403.11 o 3 12 0 2454.19 2586.43 100.19 o 4 12 0 6592.81 6841.21 254.76 o 5 12 0 1825.58 1751.47 109.90 o 6 12 0 5183.88 5648.20 226.41 o 1 13 0 0.16 -341.36 341.36 o 2 13 0 15.63 -165.44 333.59 o 3 13 0 3.30 102.91 337.48 o 4 13 0 70.02 -391.07 391.07 o 5 13 0 75.72 88.16 386.80 o 0 14 0 6635.84 5833.44 244.27 o 1 14 0 11.71 -254.37 361.17 o 2 14 0 6817.52 6060.63 254.76 o 3 14 0 45.02 56.70 362.33 o -11 0 1 184.57 20.58 429.13 o -9 0 1 114.27 -314.18 314.18 o -7 0 1 271.29 128.54 231.07 o -5 0 1 27.12 19.03 148.35 o -3 0 1 201.16 276.51 29.51 o -1 0 1 0.92 -10.49 62.14 o 1 0 1 169.94 274.18 22.91 o 3 0 1 345.87 426.80 38.06 o 5 0 1 547.28 632.63 55.92 o 7 0 1 1133.58 1377.87 81.94 o 9 0 1 223.41 105.24 374.37 o 11 0 1 702.78 867.97 474.57 o -11 1 1 443.46 -168.93 438.06 o -10 1 1 11158.71 12042.42 489.71 o -9 1 1 196.36 -45.44 328.55 o -8 1 1 19439.29 23046.77 480.78 o -7 1 1 888.06 1098.26 69.52 o -6 1 1 22820.11 27867.77 397.28 o -5 1 1 2720.20 3603.91 143.69 o -4 1 1 48350.37 57219.83 404.27 o -3 1 1 548.45 634.57 31.07 o -2 1 1 63928.42 67059.13 354.95 o 0 1 1 102862.23 107410.61 1163.11 o 2 1 1 47905.92 43578.57 286.60 o 3 1 1 1144.03 1255.54 47.38 o 4 1 1 74410.66 77189.68 535.54 o 5 1 1 1325.23 1479.23 78.06 o 6 1 1 21601.47 24436.68 442.33 o 7 1 1 7570.00 8186.08 339.42 o 8 1 1 17030.64 19991.99 506.02 o 9 1 1 285.12 122.72 378.26 o 10 1 1 9171.09 10078.13 440.39 o 11 1 1 1239.09 1281.56 150.68 o -11 2 1 39.10 -111.85 443.50 o -10 2 1 125.18 -214.37 385.25 o -9 2 1 109.18 204.66 320.78 o -8 2 1 54.31 145.63 290.10 o -7 2 1 26.45 -252.43 252.43 o -6 2 1 248.04 352.62 210.49 o -5 2 1 237.63 -21.36 183.30 o -3 2 1 34.90 49.32 114.56 o -2 2 1 2.03 44.27 97.09 o -1 2 1 1354.36 1710.69 76.12 o 0 2 1 1349.11 1606.12 47.23 o 1 2 1 97.54 132.04 22.91 o 2 2 1 140.01 90.49 92.82 o 3 2 1 2059.78 2689.34 109.90 o 4 2 1 900.59 1324.28 54.76 o 5 2 1 592.39 492.04 52.43 o 6 2 1 23.87 297.09 215.92 o 7 2 1 579.19 468.35 77.28 o 8 2 1 13.43 208.55 314.18 o 9 2 1 223.62 269.13 106.02 o 10 2 1 103.12 499.03 406.99 o 11 2 1 162.27 235.73 497.09 o -11 3 1 2385.67 2292.83 149.13 o -10 3 1 6422.59 6064.90 264.86 o -9 3 1 5523.74 5060.62 209.32 o -8 3 1 9741.38 9097.15 385.63 o -7 3 1 12443.98 11012.51 376.70 o -6 3 1 26667.03 28739.62 422.92 o -5 3 1 7048.96 8784.92 238.84 o -4 3 1 35172.76 46874.90 406.22 o -3 3 1 48371.15 61909.18 411.27 o -2 3 1 44269.51 56728.56 351.85 o -1 3 1 28129.36 32757.91 246.60 o 0 3 1 34594.13 36989.43 262.14 o 1 3 1 22545.47 25718.63 218.25 o 2 3 1 37120.32 43931.96 309.13 o 3 3 1 19786.24 22851.81 267.96 o 4 3 1 22684.85 22798.22 306.41 o 5 3 1 18903.54 17762.85 312.24 o 6 3 1 22157.49 20732.57 400.39 o 7 3 1 3700.90 3351.87 155.34 o 8 3 1 12365.38 9782.21 412.04 o 9 3 1 5220.45 4525.86 142.91 o 10 3 1 5335.23 4411.29 168.54 o 11 3 1 2532.58 2277.69 152.23 o -10 4 1 20.33 -254.37 402.33 o -9 4 1 15.01 -121.94 330.10 o -8 4 1 21.95 160.78 271.85 o -7 4 1 311.69 405.83 71.46 o -6 4 1 10.58 285.44 208.55 o -5 4 1 85.60 79.61 172.04 o 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17166.46 16459.15 426.41 o 8 5 1 2416.10 2256.33 111.07 o 9 5 1 7778.51 7488.60 328.55 o 10 5 1 1905.55 1613.99 123.11 o -10 6 1 385.16 243.11 119.61 o -9 6 1 218.93 327.38 363.11 o -8 6 1 10.79 252.82 310.68 o -7 6 1 2.20 100.19 273.01 o -6 6 1 6.28 240.00 232.23 o -5 6 1 438.97 454.37 62.14 o -4 6 1 1341.98 1449.33 57.09 o -3 6 1 214.85 210.88 164.66 o -2 6 1 10.60 -76.51 147.19 o -1 6 1 1209.14 1457.49 61.75 o 0 6 1 587.65 543.85 63.50 o 1 6 1 393.96 581.36 40.39 o 2 6 1 67.20 -6.60 145.24 o 3 6 1 302.10 413.98 46.99 o 4 6 1 1256.32 1365.83 55.92 o 5 6 1 638.99 771.27 62.91 o 6 6 1 1312.28 1303.31 73.40 o 7 6 1 8.92 -161.94 283.89 o 8 6 1 127.16 98.64 307.19 o 9 6 1 10.84 260.20 358.84 o 10 6 1 20.48 393.01 392.62 o -9 7 1 9655.49 10258.33 396.90 o -8 7 1 23.60 298.25 310.68 o -7 7 1 16073.73 17385.37 462.14 o -6 7 1 20.03 29.90 251.65 o -5 7 1 25257.53 29460.02 464.08 o -4 7 1 465.63 565.83 60.58 o -3 7 1 35600.31 40266.31 457.48 o -2 7 1 87.36 171.65 170.88 o -1 7 1 40114.06 42836.04 434.57 o 0 7 1 177.29 118.73 138.45 o 1 7 1 32120.77 35023.16 392.24 o 2 7 1 742.79 738.26 50.10 o 3 7 1 31709.44 34584.32 427.96 o 4 7 1 443.80 493.98 59.03 o 5 7 1 24492.96 27484.08 447.38 o 6 7 1 385.84 229.90 262.14 o 7 7 1 14336.20 15113.12 438.06 o 8 7 1 113.69 -333.59 333.59 o 9 7 1 8878.38 8602.00 348.35 o -9 8 1 57.38 531.65 400.00 o -8 8 1 13.05 -168.16 345.25 o -7 8 1 0.02 167.38 309.13 o -6 8 1 1032.81 963.50 84.27 o -5 8 1 183.92 206.99 260.58 o -4 8 1 1040.57 1035.35 67.96 o -3 8 1 204.51 90.87 208.55 o -2 8 1 1161.66 1076.90 56.31 o -1 8 1 9.85 29.51 177.87 o 0 8 1 139.26 196.58 118.53 o 1 8 1 15.21 189.52 166.60 o 2 8 1 397.08 303.69 184.86 o 3 8 1 41.48 332.82 197.67 o 4 8 1 27.16 -226.02 226.02 o 5 8 1 571.96 531.27 75.34 o 6 8 1 22.62 461.75 263.30 o 7 8 1 54.78 558.45 300.58 o 8 8 1 42.32 533.98 339.81 o 9 8 1 1.20 -9.32 410.88 o -8 9 1 1641.02 1834.58 115.34 o -7 9 1 7657.19 8134.43 321.56 o -6 9 1 2604.69 2815.17 132.82 o -5 9 1 14454.55 14374.47 427.96 o 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4092.91 3831.87 192.62 o -4 11 1 8443.28 9918.13 358.06 o -3 11 1 3697.41 3806.24 193.40 o -2 11 1 10848.24 10316.97 384.47 o -1 11 1 5394.68 5629.94 222.91 o 0 11 1 9193.99 8979.97 282.91 o 1 11 1 5333.87 4777.90 220.97 o 2 11 1 9901.14 9337.93 367.77 o 3 11 1 4655.20 4836.15 171.65 o 4 11 1 7438.43 7671.12 362.72 o 5 11 1 3789.84 3717.31 145.24 o 6 11 1 6420.80 5725.48 257.87 o 7 11 1 2915.09 2869.92 126.99 o -6 12 1 89.77 545.64 404.27 o -5 12 1 12.56 -8.93 363.89 o -4 12 1 11.01 41.94 350.68 o -3 12 1 50.66 -193.40 329.32 o -2 12 1 99.80 -30.68 302.91 o -1 12 1 21.70 313.79 295.15 o 0 12 1 44.02 488.61 200.99 o 1 12 1 69.88 -116.89 292.04 o 2 12 1 11.68 528.16 292.04 o 3 12 1 61.28 -140.20 326.60 o 4 12 1 144.93 -106.02 329.71 o 5 12 1 70.67 -78.45 356.51 o 6 12 1 9.63 -241.94 407.77 o -5 13 1 167.83 138.25 392.62 o -4 13 1 6993.76 7678.89 306.02 o -3 13 1 265.68 -182.53 356.51 o -2 13 1 9501.31 9557.74 378.26 o -1 13 1 166.88 169.71 332.82 o 0 13 1 9293.10 7973.12 232.44 o 2 13 1 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53.25 o 1 1 2 304.05 366.22 24.08 o 2 1 2 494.90 592.24 31.84 o 3 1 2 248.65 222.14 37.28 o 5 1 2 568.98 550.68 53.98 o 6 1 2 157.33 338.25 225.24 o 7 1 2 751.23 939.04 80.39 o 8 1 2 65.86 -87.77 309.13 o 9 1 2 555.03 549.13 108.35 o 10 1 2 71.33 321.56 437.28 o 11 1 2 449.00 379.42 513.79 o -11 2 2 1204.53 1168.94 127.38 o -10 2 2 6552.42 7123.93 274.95 o -9 2 2 1731.31 2020.60 94.76 o -8 2 2 14664.23 16035.84 405.83 o -7 2 2 5331.13 7133.64 285.05 o -6 2 2 25400.66 28703.12 411.65 o -5 2 2 6428.39 6173.25 224.86 o -4 2 2 34386.96 35257.34 390.29 o -3 2 2 32232.51 38731.54 358.45 o -2 2 2 66693.16 80603.30 438.45 o -1 2 2 2056.66 2275.74 98.25 o 0 2 2 69822.75 67673.12 4017.31 o 1 2 2 18416.04 18106.54 177.48 o 2 2 2 47352.13 47822.09 314.57 o 3 2 2 4078.28 4175.56 153.01 o 4 2 2 45925.94 41528.84 413.98 o 5 2 2 6800.06 7090.15 252.04 o 6 2 2 30890.40 27618.06 464.47 o 7 2 2 3338.81 3301.38 126.99 o 8 2 2 14147.00 13254.46 444.66 o 9 2 2 2786.58 2827.59 119.22 o 10 2 2 9802.11 9689.00 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