#------------------------------------------------------------------------------ #$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $ #$Revision: 88054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/89/2018926.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_2018926_Fobs loop_ _publ_author_name 'Liu, Ting' 'Pan, Yu-Peng' 'Wang, Suna' 'Dou, Jian-Min' _publ_section_title ; Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units ; _journal_coeditor_code QS3024 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 394 _journal_page_last 399 _journal_volume 69 _journal_year 2013 _space_group_IT_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 15.3731 _cell_length_b 15.3731 _cell_length_c 13.2874 _exptl_crystal_F_000 2496.00 _reflns_d_resolution_high 0.8407 _[local]_cod_data_source_file qs3024Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 071018g in I4(1)/a' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1031.90 _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, z+1/2' '-y+3/4, x+1/4, z+1/4' 'y+3/4, -x+3/4, z+3/4' 'x+1/2, y+1/2, z+1/2' '-x+1, -y+1/2, z+1' '-y+5/4, x+3/4, z+3/4' 'y+5/4, -x+5/4, z+5/4' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'y-3/4, -x-1/4, -z-1/4' '-y-3/4, x-3/4, -z-3/4' '-x+1/2, -y+1/2, -z+1/2' 'x, y+1/2, -z' 'y-1/4, -x+1/4, -z+1/4' '-y-1/4, x-1/4, -z-1/4' 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 0 2 0 429800.72 347197.31 13976.65 o 2 2 0 10124.89 12498.53 389.32 o -2 4 0 1361.26 2709.96 345.33 o 0 4 0 649967.62 523322.06 16700.16 o 2 4 0 340681.78 325637.59 7040.47 o 4 4 0 68594.49 68722.85 1654.41 o -4 6 0 419420.22 411370.31 15225.39 o -2 6 0 65488.77 67072.17 2130.38 o 0 6 0 1064812.38 873283.81 35800.76 o 2 6 0 325712.59 321024.63 6068.71 o 4 6 0 49557.75 50667.42 1364.10 o 6 6 0 636492.25 605948.63 13067.67 o -6 8 0 129605.48 134024.97 4217.96 o -4 8 0 63537.52 64801.79 2581.97 o -2 8 0 30.78 62.27 382.96 o 0 8 0 13722.08 14388.13 647.04 o 2 8 0 431.25 273.18 305.43 o 4 8 0 31.60 -326.80 284.46 o 6 8 0 171.38 297.70 309.96 o 8 8 0 2586.56 3073.08 682.55 o -8 10 0 8933.13 8470.08 986.44 o -6 10 0 50626.58 50110.34 2036.83 o -4 10 0 154443.92 155151.95 7300.66 o -2 10 0 54.99 -232.15 549.99 o 0 10 0 207577.67 211875.64 5025.18 o 2 10 0 133029.23 139800.28 3602.78 o 4 10 0 20982.65 22204.64 917.63 o 6 10 0 232167.84 239594.45 12913.13 o 8 10 0 83849.33 86552.38 3517.44 o 10 10 0 39537.70 43130.44 2572.71 o -10 12 0 125395.37 123374.99 7493.67 o -8 12 0 13728.48 12106.79 1195.35 o -6 12 0 152668.95 145063.39 4581.84 o -4 12 0 239351.73 232605.00 9341.20 o -2 12 0 291.11 632.78 607.99 o 0 12 0 276500.19 277276.97 10073.80 o 2 12 0 167349.64 181824.86 5362.34 o 4 12 0 18148.54 19369.75 1004.45 o 6 12 0 198014.59 211371.27 7467.90 o 8 12 0 51309.30 56765.01 3996.79 o 10 12 0 11988.19 13429.75 1304.94 o 12 12 0 40237.80 34785.03 3121.54 o -10 14 0 19474.24 22141.30 1728.11 o -8 14 0 4122.01 4654.55 1061.04 o -6 14 0 9232.49 10332.46 1165.91 o -4 14 0 13121.58 12323.93 2176.08 o -2 14 0 2667.87 1860.09 799.45 o 0 14 0 193.08 -288.65 645.87 o 2 14 0 92.48 -322.01 664.39 o 4 14 0 1507.42 840.69 736.58 o 6 14 0 7588.18 8814.94 1774.63 o 8 14 0 6352.69 7203.75 1515.57 o 10 14 0 276.86 -181.76 1014.55 o -8 16 0 2237.49 1755.80 1415.05 o -6 16 0 21884.72 18317.80 3185.68 o -4 16 0 58558.18 59237.33 4007.07 o -2 16 0 4473.56 2496.76 907.79 o 0 16 0 52320.01 51918.28 2284.54 o 2 16 0 76120.10 76305.52 2914.31 o 4 16 0 333.92 273.80 1303.50 o 6 16 0 76328.11 85806.05 4904.93 o 8 16 0 43854.83 44650.03 3669.14 o -2 18 0 2452.96 2294.96 1062.56 o 0 18 0 40727.71 42420.93 2201.38 o 2 18 0 37633.95 42726.04 3195.54 o 0 1 1 302936.31 258762.63 6499.97 o -1 2 1 8360.70 14103.29 723.04 o 1 2 1 231781.09 228170.59 3202.79 o -2 3 1 62428.63 63340.66 1105.69 o 0 3 1 7927.90 8910.01 252.21 o 2 3 1 112468.16 114011.67 1657.35 o -3 4 1 20229.23 21694.81 451.64 o -1 4 1 229159.22 230489.13 4814.84 o 1 4 1 3018.50 5993.08 338.16 o 3 4 1 130419.59 132183.45 2101.54 o -4 5 1 267322.19 263560.53 4931.31 o -2 5 1 10853.42 11884.50 403.38 o 0 5 1 380544.78 358133.06 5464.64 o 2 5 1 370287.47 356801.81 5083.58 o 4 5 1 12737.61 13274.87 524.34 o -5 6 1 279444.22 284427.38 4434.73 o -3 6 1 67255.29 69297.54 1340.72 o -1 6 1 207427.69 205562.22 3221.99 o 1 6 1 375722.25 365984.88 5620.86 o 3 6 1 44481.56 45179.41 804.55 o 5 6 1 98120.73 103106.81 1745.36 o -6 7 1 136605.69 135777.86 2244.73 o -4 7 1 12337.20 13632.73 603.75 o -2 7 1 84522.53 86083.98 1677.82 o 0 7 1 226418.66 228229.28 4269.93 o 2 7 1 548.35 1389.41 219.09 o 4 7 1 166674.20 163149.20 2724.52 o 6 7 1 72105.16 72903.77 1331.38 o -7 8 1 20495.61 21075.47 1329.36 o -5 8 1 45447.00 45845.47 1255.08 o -3 8 1 120111.91 120034.50 4699.24 o -1 8 1 39208.04 37310.71 1107.26 o 1 8 1 43260.26 44076.96 1361.04 o 3 8 1 191716.63 194452.48 2909.37 o 5 8 1 74084.13 75908.91 1294.57 o 7 8 1 13296.93 12875.97 668.54 o -8 9 1 72013.78 72533.50 1974.50 o -6 9 1 27615.79 27328.57 1401.33 o -4 9 1 16844.44 16499.62 753.78 o -2 9 1 66394.79 65151.39 1894.26 o 0 9 1 2142.74 2991.97 326.20 o 2 9 1 93727.41 97948.88 2564.47 o 4 9 1 37296.73 38709.82 813.89 o 6 9 1 22168.21 22708.92 607.10 o 8 9 1 81035.55 81885.68 4088.29 o -9 10 1 3841.78 3567.05 589.16 o -7 10 1 70834.09 69473.65 2325.23 o -5 10 1 44151.75 45722.23 2594.57 o -3 10 1 485.73 391.06 361.49 o -1 10 1 95641.16 92754.03 4492.04 o 1 10 1 67691.67 72538.73 1699.84 o 3 10 1 2333.46 2539.85 329.03 o 5 10 1 105889.45 108226.20 1801.92 o 7 10 1 34049.07 35406.62 1378.33 o 9 10 1 6506.52 7796.95 662.42 o -10 11 1 42595.40 40957.47 2477.79 o -8 11 1 13694.39 12765.61 818.84 o -6 11 1 26648.92 25680.06 1028.82 o -4 11 1 81121.89 81379.87 4392.88 o -2 11 1 5561.09 5664.83 597.59 o 0 11 1 83773.38 86555.73 2366.71 o 2 11 1 96499.59 102493.38 2644.45 o 4 11 1 2163.83 2102.30 333.41 o 6 11 1 79687.40 78986.73 3189.16 o 8 11 1 27909.55 29658.46 1184.68 o 10 11 1 14186.93 16013.73 841.47 o -11 12 1 44380.66 44868.85 1828.34 o -9 12 1 40475.93 37749.31 1417.99 o -7 12 1 5735.87 5790.05 672.05 o -5 12 1 88968.34 88817.03 4081.71 o -3 12 1 51275.00 50852.11 2964.93 o -1 12 1 11569.75 13998.99 845.08 o 1 12 1 100535.96 107667.66 3410.86 o 3 12 1 54178.84 53627.79 2056.61 o 5 12 1 2486.65 2071.38 416.87 o 7 12 1 41682.96 45999.35 2199.63 o 9 12 1 24244.57 25040.10 1141.71 o 11 12 1 991.27 504.44 650.12 o -12 13 1 18105.65 21067.10 1259.60 o -10 13 1 13885.31 14803.04 1589.85 o -8 13 1 8426.17 8848.71 798.79 o -6 13 1 47343.18 42553.66 2005.87 o -4 13 1 4491.09 4775.78 638.89 o -2 13 1 33495.08 32659.21 1991.10 o 0 13 1 48172.14 49197.14 2289.81 o 2 13 1 2033.60 1796.25 494.44 o 4 13 1 64278.98 65310.78 1720.84 o 6 13 1 25896.68 24129.41 987.50 o 8 13 1 8546.05 9806.94 1469.67 o 10 13 1 32205.75 34759.90 1845.30 o 12 13 1 987.36 1103.03 742.26 o -11 14 1 996.84 93.96 772.53 o -9 14 1 37370.47 38020.00 1427.15 o -7 14 1 33928.42 30293.91 2578.72 o -5 14 1 483.39 368.48 557.45 o -3 14 1 47922.15 49302.50 1815.22 o -1 14 1 36016.95 34179.55 1323.72 o 1 14 1 148.05 114.09 454.36 o 3 14 1 31013.77 33232.93 1173.70 o 5 14 1 32017.53 36626.42 1956.52 o 7 14 1 769.06 1133.53 739.57 o 9 14 1 16728.54 18182.03 1580.05 o 11 14 1 16913.21 16987.98 1251.85 o -10 15 1 589.68 -545.75 633.72 o -8 15 1 20169.36 20222.92 1153.16 o -6 15 1 8276.35 8367.83 837.84 o -4 15 1 7719.54 7841.91 795.54 o -2 15 1 24595.85 25218.02 1483.58 o 0 15 1 479.83 250.44 531.63 o 2 15 1 20666.46 21271.00 1031.57 o 4 15 1 11340.57 13546.60 1371.65 o 6 15 1 6476.22 6278.99 1254.74 o 8 15 1 27971.52 32436.78 2126.39 o 10 15 1 986.26 1360.08 1779.50 o -7 16 1 16899.11 15189.97 1142.86 o -5 16 1 31966.22 30201.35 2172.49 o -3 16 1 1596.87 2376.01 673.76 o -1 16 1 20807.83 19832.73 1393.78 o 1 16 1 30819.31 35010.64 3134.75 o 3 16 1 1163.88 2551.54 1035.25 o 5 16 1 14323.53 16388.11 2357.50 o 7 16 1 17531.70 21518.08 2019.86 o -6 17 1 9838.87 9297.39 956.19 o -4 17 1 27912.38 28301.56 1290.01 o -2 17 1 977.00 740.06 672.05 o 0 17 1 21603.85 22827.03 1161.47 o 2 17 1 25406.60 26779.95 1219.39 o 4 17 1 465.24 -1077.72 1200.64 o 6 17 1 31639.79 36920.79 3305.31 o -3 18 1 20593.11 21064.38 1231.32 o -1 18 1 656.60 518.12 658.99 o 1 18 1 14682.33 15954.67 1077.57 o 3 18 1 18039.95 20921.32 1818.66 o 1 1 2 19096.88 20880.59 415.60 o 0 2 2 6052.46 9649.68 274.02 o 2 2 2 678722.88 580497.50 9957.06 o -1 3 2 8455.16 9945.05 323.51 o 1 3 2 15324.23 19186.82 370.27 o 3 3 2 348.51 2614.10 225.17 o -2 4 2 598581.94 532837.75 12225.61 o 0 4 2 61765.02 64322.31 1283.35 o 2 4 2 180869.88 178345.52 2782.90 o 4 4 2 248405.77 239919.22 4266.96 o -3 5 2 26393.75 28394.27 576.44 o -1 5 2 22508.23 22202.85 473.50 o 1 5 2 28176.25 28525.59 583.95 o 3 5 2 9854.19 11480.07 317.01 o 5 5 2 39204.07 39712.03 896.89 o -4 6 2 1533.67 1620.34 329.52 o -2 6 2 34567.11 36704.44 946.75 o 0 6 2 5174.43 7450.00 458.79 o 2 6 2 15233.19 16008.46 398.90 o 4 6 2 89723.07 91344.10 1434.44 o 6 6 2 4535.16 4821.62 276.69 o -5 7 2 17269.80 16977.20 688.73 o -3 7 2 950.57 903.58 143.56 o -1 7 2 19480.10 20475.14 491.90 o 1 7 2 25322.03 25692.99 585.14 o 3 7 2 59.46 313.82 166.72 o 5 7 2 30068.00 31427.04 656.46 o 7 7 2 7921.18 8514.75 436.19 o -6 8 2 66919.53 67213.20 1645.20 o -4 8 2 192820.08 187784.25 4865.54 o -2 8 2 552099.50 540411.94 8734.80 o 0 8 2 20976.09 20413.92 652.12 o 2 8 2 265396.75 257791.17 4465.95 o 4 8 2 405072.31 387530.06 5554.93 o 6 8 2 363.19 689.48 225.68 o 8 8 2 294497.34 287315.16 9544.09 o -7 9 2 1030.14 1390.57 430.99 o -5 9 2 694.27 820.12 387.27 o -3 9 2 192.34 711.44 327.97 o -1 9 2 666.10 739.50 206.17 o 1 9 2 4332.17 4308.00 304.24 o 3 9 2 8376.16 9758.44 441.47 o 5 9 2 6929.54 7255.55 371.79 o 7 9 2 2120.46 2724.05 407.46 o 9 9 2 367.05 447.97 460.47 o -8 10 2 193462.97 189784.11 8569.17 o -6 10 2 103796.30 98418.06 3480.56 o -4 10 2 48080.25 49058.89 1365.77 o -2 10 2 252859.81 248999.38 12691.94 o 0 10 2 38165.27 37979.14 872.36 o 2 10 2 75758.01 75013.99 1418.01 o 4 10 2 119430.88 122963.55 1988.40 o 6 10 2 36.90 14.97 283.64 o 8 10 2 37312.76 38600.68 1654.49 o 10 10 2 5606.76 6674.87 603.44 o -9 11 2 5020.02 4784.66 647.09 o -7 11 2 3813.40 3861.20 607.61 o -5 11 2 17300.01 16505.04 944.87 o -3 11 2 7870.18 8300.71 1874.36 o -1 11 2 7557.65 7439.00 588.40 o 1 11 2 18927.62 19841.40 1099.42 o 3 11 2 8601.38 8487.30 651.05 o 5 11 2 3964.79 3494.63 385.73 o 7 11 2 17939.01 17802.69 911.98 o 9 11 2 2492.59 1834.69 603.15 o 11 11 2 7332.92 5981.92 797.99 o -10 12 2 3925.26 3863.65 846.92 o -8 12 2 6984.67 6688.60 710.50 o -6 12 2 1401.81 261.80 491.74 o -4 12 2 12591.43 13202.22 796.76 o -2 12 2 57796.09 57186.27 2361.16 o 0 12 2 13226.17 13054.97 1619.95 o 2 12 2 19551.86 19503.88 859.18 o 4 12 2 81323.03 82065.61 1632.45 o 6 12 2 14950.26 16028.44 827.42 o 8 12 2 37883.09 41562.89 1413.85 o 10 12 2 76952.56 82441.55 3699.15 o 12 12 2 2093.05 2267.89 771.33 o -11 13 2 2856.12 2930.26 764.17 o -9 13 2 4290.69 4497.67 717.38 o -7 13 2 74.67 131.58 512.47 o -5 13 2 1602.78 1578.07 552.21 o -3 13 2 95.99 37.23 468.02 o -1 13 2 1478.57 1456.42 494.76 o 1 13 2 675.59 933.73 486.66 o 3 13 2 1332.87 2087.20 642.04 o 5 13 2 112.70 -346.41 731.50 o 7 13 2 563.71 -74.14 488.35 o 9 13 2 13.04 -541.17 622.15 o 11 13 2 260.59 -665.97 670.86 o -10 14 2 3362.40 2354.47 865.98 o -8 14 2 101557.98 95513.71 4917.35 o -6 14 2 64644.03 62394.43 4006.41 o -4 14 2 22737.27 23483.52 1276.60 o -2 14 2 204911.25 200694.08 12126.08 o 0 14 2 59304.67 59823.72 1675.54 o 2 14 2 60360.04 60622.29 2768.34 o 4 14 2 195876.23 209823.33 7439.44 o 6 14 2 15626.97 19168.95 1601.06 o 8 14 2 65981.57 71047.90 2515.71 o 10 14 2 76461.12 80873.47 3825.75 o -9 15 2 324.63 -96.90 798.61 o -7 15 2 6.04 -63.39 609.46 o -5 15 2 536.45 -234.50 589.52 o -3 15 2 282.32 -113.39 540.62 o -1 15 2 1270.27 773.62 554.50 o 1 15 2 1314.99 1469.33 591.18 o 3 15 2 280.78 355.77 551.47 o 5 15 2 2419.69 1651.44 1613.00 o 7 15 2 3623.79 4566.71 1199.60 o 9 15 2 218.05 -46.10 805.79 o -8 16 2 36520.43 34250.12 2665.39 o -6 16 2 30631.40 30322.23 2496.76 o -4 16 2 1680.52 708.41 640.82 o -2 16 2 38375.90 37131.07 2617.53 o 0 16 2 13045.12 13932.74 1064.16 o 2 16 2 3981.18 4474.85 712.95 o 4 16 2 13019.37 12941.41 1443.78 o 6 16 2 841.42 494.68 1056.56 o 8 16 2 1627.58 1196.73 1149.25 o -5 17 2 4655.41 5011.49 842.09 o -3 17 2 3393.22 3748.77 763.32 o -1 17 2 1291.49 633.54 652.45 o 1 17 2 7614.70 6748.11 815.73 o 3 17 2 3429.46 2467.48 1106.36 o 5 17 2 240.90 33.40 1000.80 o -2 18 2 25240.78 25663.80 1397.37 o 0 18 2 19094.20 17655.70 1912.95 o 2 18 2 3655.56 5066.46 1728.38 o 0 1 3 32055.64 32980.95 726.44 o -1 2 3 11282.67 13801.00 326.50 o 1 2 3 244309.08 237185.50 4531.98 o -2 3 3 329228.06 311758.47 4731.25 o 0 3 3 46.88 120.15 122.99 o 2 3 3 301330.63 298049.41 4208.79 o -3 4 3 200503.50 198789.72 2861.08 o -1 4 3 314777.16 304384.44 5605.96 o 1 4 3 10808.91 12786.20 356.89 o 3 4 3 165373.87 168593.23 2449.98 o -4 5 3 166344.42 165095.78 2425.99 o -2 5 3 29082.64 30629.08 616.56 o 0 5 3 36802.82 35426.92 819.82 o 2 5 3 107132.97 111435.39 1679.33 o 4 5 3 15858.02 16693.78 458.79 o -5 6 3 77894.91 77499.60 1253.48 o -3 6 3 69041.08 70007.72 1227.48 o -1 6 3 1333.03 1579.44 183.84 o 1 6 3 91110.63 92664.58 1711.08 o 3 6 3 55434.11 57300.18 963.41 o 5 6 3 670.45 1063.69 188.26 o -6 7 3 47292.81 48558.80 892.16 o -4 7 3 140.95 330.06 168.90 o -2 7 3 159122.95 159097.34 2569.01 o 0 7 3 70228.62 71804.16 1270.74 o 2 7 3 21339.60 21562.45 600.46 o 4 7 3 260252.28 260680.16 3785.05 o 6 7 3 14790.36 14563.77 435.65 o -7 8 3 61732.59 59116.78 1449.39 o -5 8 3 14170.02 13807.77 856.73 o -3 8 3 178241.75 176249.59 4009.69 o -1 8 3 80564.93 79521.63 1639.33 o 1 8 3 46579.70 47294.18 1025.45 o 3 8 3 247054.38 239349.92 3514.01 o 5 8 3 51465.93 50066.15 933.92 o 7 8 3 53158.60 52483.10 1410.22 o -8 9 3 112550.70 112864.47 4371.44 o -6 9 3 29362.52 28767.65 1034.73 o -4 9 3 60358.80 59505.20 2954.52 o -2 9 3 217338.02 217651.94 8260.58 o 0 9 3 7750.20 7728.77 365.71 o 2 9 3 102427.52 99403.95 1912.78 o 4 9 3 81569.76 82818.98 1404.70 o 6 9 3 11830.73 11660.79 449.03 o 8 9 3 75438.36 73731.91 2356.13 o -9 10 3 27699.41 27953.85 1115.22 o -7 10 3 104836.09 102941.34 3806.67 o -5 10 3 20435.87 19082.57 1394.93 o -3 10 3 34802.79 35220.13 1645.04 o -1 10 3 124638.12 119842.44 6594.74 o 1 10 3 19615.86 18900.18 599.90 o 3 10 3 22479.83 23468.69 874.87 o 5 10 3 37029.88 37641.37 906.09 o 7 10 3 4350.05 3972.26 585.94 o 9 10 3 3291.24 3478.27 602.34 o -10 11 3 14680.77 14823.06 966.70 o -8 11 3 14886.16 16125.91 911.62 o -6 11 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