#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:59:55 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181210 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/89/2228984.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_2228984_Fobs loop_ _publ_author_name 'Najafi, Ezzatollah' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; Bis(\m~2~-quinoline-2-carboxylato)-\k^3^N,O^1^:O^1^;\k^3^O^1^:N,O^1^-bis[(acetato-\kO)(ethanol-\kO)lead(II)] ; _journal_coeditor_code BT5469 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m264 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.722 _cell_angle_gamma 90.000 _cell_length_a 7.3419 _cell_length_b 8.4004 _cell_length_c 23.8008 _exptl_crystal_F_000 912.00 _reflns_d_resolution_high 0.7697 _cod_data_source_file bt5469Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 368.02 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 24400.36 23598.86 740.39 o 2 0 0 135436.80 132644.38 3987.71 o 3 0 0 15579.04 16081.81 790.50 o 4 0 0 15505.48 14971.24 485.40 o 5 0 0 14499.97 8757.71 7312.06 o 6 0 0 10711.69 10859.33 528.85 o 7 0 0 17696.16 18019.30 632.50 o 8 0 0 3553.30 3655.44 343.82 o 9 0 0 16788.82 17056.78 865.62 o 1 1 0 1493.31 1455.30 53.65 o 2 1 0 363.63 514.72 58.80 o 3 1 0 56.71 207.91 33.36 o 4 1 0 462.49 671.33 50.82 o 5 1 0 1599.67 1798.35 106.37 o 6 1 0 451.84 577.28 75.66 o 7 1 0 39.70 147.45 58.62 o 8 1 0 149.58 176.96 111.34 o 9 1 0 34.97 -11.34 58.74 o 0 2 0 8019.99 7842.71 286.84 o 1 2 0 186.73 151.29 20.01 o 2 2 0 40489.94 39661.15 554.99 o 3 2 0 9065.71 8772.40 189.77 o 4 2 0 35510.72 35884.80 558.65 o 5 2 0 15618.78 16138.30 356.40 o 6 2 0 12160.20 12433.95 465.23 o 7 2 0 19144.84 20331.46 679.76 o 8 2 0 938.01 1190.13 159.18 o 9 2 0 10268.45 10760.62 543.41 o 1 3 0 25106.93 23949.17 412.69 o 2 3 0 2581.54 2657.74 93.06 o 3 3 0 23485.61 23781.89 399.95 o 4 3 0 6213.12 6299.38 175.56 o 5 3 0 7778.21 7814.17 226.68 o 6 3 0 5491.44 5349.10 209.76 o 7 3 0 1877.04 1820.29 186.59 o 8 3 0 6042.85 6365.12 387.21 o 9 3 0 332.54 162.01 75.12 o 0 4 0 19887.54 20123.68 538.98 o 1 4 0 1602.67 1788.10 84.19 o 2 4 0 17958.49 17708.82 358.85 o 3 4 0 8154.29 7893.91 227.06 o 4 4 0 10931.63 10999.39 368.11 o 5 4 0 7057.37 6870.49 251.42 o 6 4 0 5048.13 4913.40 212.13 o 7 4 0 5338.38 5336.37 251.11 o 8 4 0 1429.59 1344.11 182.96 o 1 5 0 24584.23 23378.44 555.24 o 2 5 0 97.06 171.66 29.08 o 3 5 0 27702.41 27353.85 488.22 o 4 5 0 10234.32 9705.99 454.65 o 5 5 0 10793.87 9718.65 460.39 o 6 5 0 12880.51 13323.29 536.62 o 7 5 0 3309.88 3236.69 472.72 o 8 5 0 7543.75 7523.15 462.57 o 0 6 0 6859.29 6522.02 486.70 o 1 6 0 105.90 144.05 28.27 o 2 6 0 1896.36 1954.70 132.13 o 3 6 0 21.01 133.87 35.14 o 4 6 0 248.15 217.98 39.80 o 5 6 0 28.99 18.00 56.52 o 6 6 0 129.18 138.34 61.56 o 7 6 0 274.01 571.57 163.40 o 1 7 0 31517.98 30346.99 784.47 o 2 7 0 3355.98 3389.33 180.75 o 3 7 0 20498.02 20586.81 542.64 o 4 7 0 8006.65 7960.89 397.76 o 5 7 0 8862.38 8886.11 476.93 o 6 7 0 10741.35 11366.62 957.00 o 7 7 0 2352.20 2361.49 501.16 o 0 8 0 2811.86 2766.96 198.20 o 1 8 0 346.75 316.37 54.07 o 2 8 0 639.15 738.77 102.51 o 3 8 0 298.98 399.73 103.26 o 4 8 0 14.55 135.02 63.33 o 5 8 0 33.36 -44.11 49.10 o 6 8 0 4.33 -128.51 85.67 o 1 9 0 10473.77 10689.33 371.25 o 2 9 0 1241.06 1190.60 118.47 o 3 9 0 9241.03 8959.45 548.59 o 4 9 0 3394.10 3213.72 337.47 o 5 9 0 5077.97 4915.02 557.94 o 0 10 0 5242.58 5507.43 325.89 o 1 10 0 164.69 158.54 65.63 o 2 10 0 3552.95 3474.27 255.65 o 3 10 0 715.76 639.02 167.78 o -9 1 1 14797.24 16150.64 600.94 o -8 1 1 41.60 12.38 42.51 o -7 1 1 24969.10 24099.80 757.21 o -6 1 1 4190.45 4170.23 233.12 o -5 1 1 30223.36 30589.31 643.02 o -4 1 1 14357.77 14287.62 401.88 o -3 1 1 31349.86 29707.90 540.40 o -2 1 1 47751.03 47347.95 778.58 o -1 1 1 22843.73 23144.86 384.49 o 0 1 1 89349.53 79866.91 1811.68 o 1 1 1 1046.68 1113.91 40.17 o 2 1 1 48026.22 45766.14 626.93 o 3 1 1 147.49 183.34 24.08 o 4 1 1 34741.46 33277.13 640.32 o 5 1 1 5014.74 5707.33 244.59 o 6 1 1 23376.40 23458.72 577.15 o 7 1 1 14147.15 14544.60 474.11 o 8 1 1 6537.88 7164.50 347.93 o 9 1 1 10838.08 11485.57 488.76 o -9 2 1 233.68 146.98 66.91 o -8 2 1 2258.70 2337.69 222.40 o -7 2 1 418.73 445.58 74.90 o -6 2 1 6704.01 6590.04 235.14 o -5 2 1 1818.23 1859.74 81.61 o -4 2 1 5478.84 5515.58 148.52 o -3 2 1 6780.79 7055.06 161.02 o -2 2 1 4782.16 4931.59 114.95 o -1 2 1 1696.89 1578.18 58.33 o 0 2 1 4163.62 4247.45 136.83 o 1 2 1 1387.71 1307.48 50.24 o 2 2 1 356.05 471.61 34.20 o 3 2 1 12509.90 13047.15 269.86 o 4 2 1 2398.33 2482.91 100.18 o 5 2 1 10714.96 11260.83 316.41 o 6 2 1 2414.94 2488.32 119.72 o 7 2 1 2319.29 2532.05 215.21 o 8 2 1 1816.74 2071.16 209.62 o 9 2 1 481.06 591.53 111.45 o -9 3 1 10452.26 10158.55 926.08 o -8 3 1 12.93 64.74 46.60 o -7 3 1 15536.09 16873.53 626.37 o -6 3 1 1542.08 1649.39 115.02 o -5 3 1 16970.76 17461.28 374.63 o -4 3 1 7202.01 7071.87 183.92 o -3 3 1 20756.30 21147.33 363.88 o -2 3 1 19410.08 18337.30 354.46 o -1 3 1 5930.23 5440.49 155.56 o 0 3 1 28556.64 27560.06 490.12 o 1 3 1 133.00 161.65 21.12 o 2 3 1 36774.95 35981.18 493.85 o 3 3 1 1742.09 1892.09 86.92 o 4 3 1 26956.39 26815.70 534.14 o 5 3 1 2439.92 2583.15 140.43 o 6 3 1 13278.55 13601.06 469.30 o 7 3 1 4161.29 4325.90 287.95 o 8 3 1 5596.36 6540.93 395.65 o 9 3 1 6602.18 6680.22 743.72 o -8 4 1 8023.17 8199.14 465.88 o -7 4 1 359.48 458.09 70.46 o -6 4 1 11184.10 11834.41 384.50 o -5 4 1 1528.45 1476.60 92.92 o -4 4 1 19892.85 18891.89 681.08 o -3 4 1 10511.68 10302.91 268.60 o -2 4 1 14947.81 14668.92 292.75 o -1 4 1 23689.11 22674.36 464.82 o 0 4 1 7507.07 7977.34 206.53 o 1 4 1 41989.12 41032.66 676.79 o 2 4 1 760.04 857.44 60.14 o 3 4 1 25318.51 24367.97 479.89 o 4 4 1 1373.12 1366.92 126.63 o 5 4 1 8924.37 8720.03 262.29 o 6 4 1 4536.06 4578.52 273.31 o 7 4 1 4697.68 4719.84 309.88 o 8 4 1 5527.08 5675.13 379.34 o -8 5 1 26.31 120.90 104.53 o -7 5 1 2355.34 2482.77 333.06 o -6 5 1 582.67 623.91 100.55 o -5 5 1 1538.82 1365.33 159.70 o -4 5 1 1457.02 1251.05 95.33 o -3 5 1 2852.00 3363.16 139.10 o -2 5 1 6048.56 6208.70 183.35 o -1 5 1 3958.19 3979.04 191.61 o 0 5 1 9688.72 9632.86 254.60 o 1 5 1 1472.20 1603.77 102.85 o 2 5 1 8676.37 8708.15 237.35 o 3 5 1 3.43 48.74 24.08 o 4 5 1 7879.54 7273.16 280.93 o 5 5 1 426.06 456.43 73.06 o 6 5 1 3786.71 3771.23 333.08 o 7 5 1 621.86 724.85 116.12 o 8 5 1 1341.52 1216.28 179.93 o -7 6 1 132.54 65.18 52.87 o -6 6 1 21540.31 19891.45 876.75 o -5 6 1 4172.89 3698.59 327.71 o -4 6 1 15636.94 15517.77 574.15 o -3 6 1 14745.84 14005.53 372.51 o -2 6 1 7020.96 7002.53 270.06 o -1 6 1 29443.35 28865.95 489.33 o 0 6 1 3318.79 3539.40 179.67 o 1 6 1 34892.65 34061.09 840.15 o 2 6 1 631.42 640.57 72.94 o 3 6 1 42290.50 40384.19 877.61 o 4 6 1 4990.55 5187.88 240.19 o 5 6 1 16658.17 14822.40 915.72 o 6 6 1 6833.38 6443.58 397.19 o 7 6 1 5922.09 6160.55 870.30 o -7 7 1 14.44 16.98 79.81 o -6 7 1 27.64 63.87 56.27 o -5 7 1 854.81 832.64 130.14 o -4 7 1 1138.69 1319.14 155.86 o -3 7 1 34.71 193.82 67.12 o -2 7 1 259.61 262.67 49.07 o -1 7 1 1.06 65.67 38.83 o 0 7 1 513.13 540.63 93.58 o 1 7 1 96.35 87.77 28.03 o 2 7 1 419.38 525.83 71.54 o 3 7 1 160.89 214.13 44.91 o 4 7 1 50.20 7.64 43.46 o 5 7 1 63.33 78.14 62.22 o 6 7 1 195.61 173.35 71.30 o 7 7 1 880.82 1161.28 361.50 o -6 8 1 9868.69 9388.57 946.46 o -5 8 1 3512.43 3358.69 288.52 o -4 8 1 13025.14 13431.48 767.16 o -3 8 1 12169.82 12028.99 771.36 o -2 8 1 6927.89 7167.09 330.04 o -1 8 1 12614.87 13148.95 383.63 o 0 8 1 2710.35 2776.28 191.87 o 1 8 1 18806.02 19718.73 575.69 o 2 8 1 11.58 10.66 21.10 o 3 8 1 14420.45 15166.81 557.53 o 4 8 1 480.51 543.91 98.94 o 5 8 1 12880.11 12087.75 653.37 o 6 8 1 3540.30 2751.48 454.44 o -5 9 1 1392.96 1466.32 308.71 o -4 9 1 1622.66 1513.59 231.94 o -3 9 1 1032.26 1048.47 184.88 o -2 9 1 1815.58 1876.85 148.20 o -1 9 1 601.10 698.72 87.61 o 0 9 1 2594.14 2603.09 144.59 o 1 9 1 87.78 98.35 39.56 o 2 9 1 1516.23 1516.88 132.09 o 3 9 1 136.16 269.62 78.58 o 4 9 1 1291.40 1230.28 205.68 o -3 10 1 3677.04 3356.90 401.92 o -2 10 1 3198.72 3069.22 200.35 o -1 10 1 7951.63 8273.72 303.49 o 0 10 1 1134.98 1146.65 117.98 o 1 10 1 8150.03 7996.75 514.93 o 2 10 1 79.73 78.35 46.78 o 3 10 1 8716.77 7118.49 613.69 o -9 0 2 12143.66 13227.24 753.70 o -8 0 2 512.73 640.87 149.12 o -7 0 2 22223.08 22477.36 904.61 o -6 0 2 52.94 49.67 38.20 o -5 0 2 42297.95 43910.92 1598.75 o -4 0 2 1976.54 2189.69 191.45 o -3 0 2 69583.93 69098.84 2155.49 o -2 0 2 17550.16 16761.35 632.79 o -1 0 2 53756.80 52843.26 1630.87 o 1 0 2 23303.44 23488.15 553.17 o 2 0 2 95423.35 91660.42 2008.62 o 3 0 2 1765.76 1780.09 95.62 o 4 0 2 37294.14 37694.11 1000.01 o 5 0 2 11.14 272.26 69.62 o 6 0 2 31565.55 32091.59 1048.01 o 7 0 2 8830.07 8502.87 407.26 o 8 0 2 13222.87 14817.58 734.11 o 9 0 2 7824.42 8248.98 568.56 o -9 1 2 120.02 248.92 81.30 o -8 1 2 1646.35 1707.63 166.69 o -7 1 2 353.98 480.45 68.91 o -6 1 2 1420.01 1540.33 122.43 o -5 1 2 17.87 24.88 19.38 o -4 1 2 2595.28 2471.71 126.82 o -3 1 2 3067.08 3048.33 97.72 o -2 1 2 547.77 710.67 50.40 o -1 1 2 911.83 979.06 83.82 o 0 1 2 3626.76 3489.01 97.12 o 1 1 2 3460.85 3422.01 79.38 o 2 1 2 618.67 631.73 40.29 o 3 1 2 8822.00 9931.70 210.71 o 4 1 2 493.83 680.11 54.96 o 5 1 2 3167.25 3298.80 133.32 o 6 1 2 46.78 45.00 38.51 o 7 1 2 1321.38 1187.66 124.13 o 8 1 2 102.60 196.43 63.39 o 9 1 2 482.66 415.80 95.66 o -9 2 2 9340.07 9997.13 524.20 o -8 2 2 1963.90 2085.16 211.43 o -7 2 2 19141.06 20136.16 581.89 o -6 2 2 4.86 18.43 24.88 o -5 2 2 28594.14 28701.80 545.20 o -4 2 2 2544.78 2535.46 96.70 o -3 2 2 37470.83 37735.20 603.98 o -2 2 2 23860.00 24250.09 409.22 o -1 2 2 38053.58 34541.29 750.74 o 0 2 2 78239.30 73909.62 1062.23 o 1 2 2 13792.03 13456.57 223.52 o 2 2 2 40042.61 39318.04 617.97 o 3 2 2 6467.90 7149.89 179.46 o 4 2 2 47519.18 47478.42 710.46 o 5 2 2 135.80 166.14 84.09 o 6 2 2 28668.23 28964.54 795.99 o 7 2 2 2153.06 2152.14 164.18 o 8 2 2 11177.57 12212.83 538.10 o 9 2 2 4242.54 4394.66 295.35 o -9 3 2 1044.70 1278.57 308.17 o -8 3 2 3200.71 3204.69 271.61 o -7 3 2 815.04 986.04 156.03 o -6 3 2 9639.85 9377.64 303.48 o -5 3 2 176.65 280.30 36.03 o -4 3 2 12286.81 12105.04 255.48 o -3 3 2 3628.47 3691.68 135.97 o -2 3 2 12980.99 12632.63 270.99 o -1 3 2 14670.98 14391.69 384.88 o 0 3 2 13047.06 13171.31 277.64 o 1 3 2 22932.32 22860.21 332.02 o 2 3 2 4188.52 4218.48 105.96 o 3 3 2 18610.16 19186.69 345.40 o 4 3 2 11.37 -0.70 14.90 o 5 3 2 12743.80 13030.65 294.94 o 6 3 2 280.30 399.34 93.24 o 7 3 2 7310.91 7391.44 300.48 o 8 3 2 858.62 929.52 142.00 o 9 3 2 3293.28 2834.15 479.85 o -8 4 2 1167.29 1219.02 175.70 o -7 4 2 7415.90 7598.52 415.57 o -6 4 2 44.67 36.22 36.17 o -5 4 2 6368.41 6673.64 312.29 o -4 4 2 153.72 194.81 36.68 o -3 4 2 19503.04 18976.01 403.83 o -2 4 2 4408.03 4288.99 153.63 o -1 4 2 23523.81 23208.54 474.85 o 0 4 2 9752.59 10076.99 236.13 o 1 4 2 5941.12 5517.12 173.50 o 2 4 2 18701.14 19203.80 330.89 o 3 4 2 117.68 57.48 33.08 o 4 4 2 18455.62 18430.71 353.97 o 5 4 2 69.41 172.90 37.16 o 6 4 2 10430.28 10774.15 450.09 o 7 4 2 552.36 536.66 114.43 o 8 4 2 5173.06 4935.27 348.85 o -8 5 2 10828.33 11761.88 594.51 o -7 5 2 356.86 692.50 187.21 o -6 5 2 21827.33 22336.59 704.56 o -5 5 2 1702.23 1940.68 188.77 o -4 5 2 26445.42 24281.34 553.15 o -3 5 2 10727.35 10958.91 269.73 o -2 5 2 16254.54 16131.33 289.05 o -1 5 2 17969.23 17523.73 415.45 o 0 5 2 8757.42 8839.14 410.68 o 1 5 2 19797.50 18741.74 465.72 o 2 5 2 9079.23 8801.86 234.06 o 3 5 2 28574.44 28111.70 455.14 o 4 5 2 298.51 392.92 58.27 o 5 5 2 17624.46 16035.80 508.33 o 6 5 2 1346.41 1224.42 117.12 o 7 5 2 9781.87 9894.92 462.78 o 8 5 2 3139.88 3142.33 324.25 o -7 6 2 1399.21 1257.39 333.71 o -6 6 2 27.25 34.81 53.30 o -5 6 2 4882.85 4606.70 320.53 o -4 6 2 826.85 959.65 130.64 o -3 6 2 1971.68 2231.09 133.97 o -2 6 2 847.03 799.69 86.01 o -1 6 2 505.86 241.96 122.00 o 0 6 2 536.49 592.32 53.78 o 1 6 2 730.73 779.62 72.89 o 2 6 2 398.15 534.95 69.68 o 3 6 2 567.33 587.02 62.72 o 4 6 2 385.14 455.68 66.21 o 5 6 2 18.00 107.33 57.74 o 6 6 2 1316.57 1235.68 173.53 o 7 6 2 602.81 673.50 386.87 o -7 7 2 405.69 731.13 306.18 o -6 7 2 16280.78 16024.18 989.25 o -5 7 2 84.20 116.38 46.16 o -4 7 2 19747.48 19548.33 687.65 o -3 7 2 2370.63 2291.31 186.77 o -2 7 2 17482.77 16313.90 678.87 o -1 7 2 8907.91 8974.08 355.98 o 0 7 2 13387.11 13993.39 350.28 o 1 7 2 26134.61 26448.25 531.36 o 2 7 2 1502.10 1598.62 120.31 o 3 7 2 25275.83 26110.85 622.82 o 4 7 2 448.49 586.04 113.97 o 5 7 2 14087.93 15146.07 631.47 o 6 7 2 1109.28 1098.69 165.37 o 7 7 2 9129.40 9109.15 952.59 o -6 8 2 4.76 -166.52 138.88 o -5 8 2 394.73 276.73 97.78 o -4 8 2 0.42 124.94 70.63 o -3 8 2 1197.41 1221.36 177.39 o -2 8 2 193.13 174.23 52.13 o -1 8 2 671.69 680.33 127.36 o 0 8 2 48.67 61.53 55.81 o 1 8 2 229.90 207.59 147.06 o 2 8 2 57.22 164.63 66.82 o 3 8 2 134.33 99.74 45.84 o 4 8 2 660.02 673.44 109.07 o 5 8 2 5.64 -14.46 87.02 o -5 9 2 149.51 451.33 196.95 o -4 9 2 11209.06 10186.11 622.41 o -3 9 2 3505.24 3450.36 325.66 o -2 9 2 8321.13 8978.56 456.10 o -1 9 2 5876.06 6253.06 244.64 o 0 9 2 5957.54 6417.81 263.18 o 1 9 2 7954.69 7951.17 309.29 o 2 9 2 2724.86 2718.74 177.38 o 3 9 2 10429.10 10243.88 628.59 o 4 9 2 470.68 560.50 141.89 o 5 9 2 11220.36 8961.67 815.88 o -3 10 2 3391.19 3328.71 399.61 o -2 10 2 622.88 506.23 92.43 o -1 10 2 3283.85 3543.25 230.37 o 0 10 2 3900.60 4281.86 257.66 o 1 10 2 1114.11 1186.17 148.98 o 2 10 2 3655.20 3362.73 255.29 o 3 10 2 241.28 215.25 77.08 o -9 1 3 7241.34 7532.00 392.27 o -8 1 3 6538.42 6442.68 369.76 o -7 1 3 19295.36 19686.87 562.89 o -6 1 3 3323.66 3230.72 182.64 o -5 1 3 49624.82 50100.49 869.32 o -4 1 3 56.19 25.32 26.52 o -3 1 3 80297.66 78934.39 1509.88 o -2 1 3 5278.41 5118.94 229.50 o -1 1 3 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