#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/65/2206589.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_2206589_Fobs loop_ _publ_author_name 'Huang, Jinshan' 'Wu, Yongfei' 'Zhu, Xinde' _publ_section_title ; Bis(\m-2,4-dihydroxyacetophenone salicylhydrazidato)bis[pyridinezinc(II)] dimethylformamide disolvate ; _journal_coeditor_code WN6369 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1548 _journal_page_last m1549 _journal_volume 61 _journal_year 2005 _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 92.545 _cell_angle_gamma 90.000 _cell_length_a 9.8061 _cell_length_b 9.9171 _cell_length_c 23.7427 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file wn6369Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 050527bm in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 285.17 _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 2 0 0 60.29 67.75 11.66 o 3 0 0 47.16 44.77 11.66 o 4 0 0 2249.54 2125.32 77.71 o 5 0 0 342.16 396.60 40.83 o 6 0 0 2294.06 2120.74 92.69 o 7 0 0 3167.80 3007.00 122.39 o 8 0 0 501.68 546.44 57.29 o 9 0 0 67.84 56.26 29.43 o 10 0 0 1.93 9.96 28.17 o 11 0 0 217.41 203.77 59.49 o 12 0 0 20.59 45.49 35.17 o 1 1 0 4340.63 4991.67 59.16 o 3 1 0 4127.91 4441.60 81.40 o 4 1 0 5312.97 5757.13 105.23 o 5 1 0 101.94 140.25 29.07 o 6 1 0 938.03 896.70 49.49 o 7 1 0 34.85 66.11 13.63 o 8 1 0 414.15 401.93 32.74 o 9 1 0 66.37 55.84 24.50 o 10 1 0 6.16 -0.05 18.63 o 11 1 0 33.33 53.30 35.08 o 12 1 0 46.72 81.47 43.79 o 0 2 0 888.87 912.60 29.96 o 1 2 0 223.26 196.33 13.29 o 2 2 0 2397.12 2413.27 35.50 o 3 2 0 178.67 191.86 14.14 o 4 2 0 0.47 -1.03 4.28 o 5 2 0 374.71 351.55 21.44 o 6 2 0 283.88 266.41 23.37 o 7 2 0 499.17 577.97 37.53 o 8 2 0 162.00 203.15 24.32 o 9 2 0 70.29 29.66 30.51 o 10 2 0 100.04 94.28 28.69 o 11 2 0 0.79 12.73 19.35 o 1 3 0 179.55 168.57 15.53 o 2 3 0 735.18 637.98 25.96 o 3 3 0 2610.74 2645.70 51.76 o 4 3 0 46.33 26.59 6.41 o 5 3 0 3967.12 4371.13 82.25 o 6 3 0 3196.63 3396.83 66.42 o 7 3 0 13.42 10.98 8.01 o 8 3 0 1.02 -13.07 9.43 o 9 3 0 495.56 624.82 50.83 o 10 3 0 1497.04 1440.13 86.01 o 11 3 0 492.13 397.51 57.47 o 0 4 0 3138.24 2737.62 75.11 o 1 4 0 8063.24 8704.53 98.68 o 2 4 0 16.01 39.13 9.72 o 3 4 0 1430.40 1547.81 47.99 o 4 4 0 1343.13 1573.93 64.94 o 5 4 0 840.83 812.39 27.80 o 6 4 0 525.92 567.98 49.31 o 7 4 0 1427.90 1390.05 98.06 o 8 4 0 1837.95 1842.15 66.63 o 9 4 0 541.68 530.11 69.75 o 10 4 0 469.61 433.16 58.09 o 11 4 0 37.22 40.54 22.48 o 1 5 0 92.65 94.99 9.75 o 2 5 0 8.79 7.47 7.90 o 3 5 0 1517.18 1509.75 51.61 o 4 5 0 5.13 -0.84 7.96 o 5 5 0 21.76 12.84 10.57 o 6 5 0 0.47 13.41 10.94 o 7 5 0 20.17 25.09 17.52 o 8 5 0 31.29 66.69 17.36 o 9 5 0 144.96 164.16 28.98 o 10 5 0 7.25 25.23 20.48 o 11 5 0 69.36 58.50 35.62 o 0 6 0 2821.10 2757.64 126.34 o 1 6 0 1420.66 1457.80 36.01 o 2 6 0 1122.19 1128.39 46.94 o 3 6 0 83.28 102.99 18.34 o 4 6 0 351.70 306.63 43.35 o 5 6 0 391.60 448.65 39.07 o 6 6 0 950.16 918.45 57.50 o 7 6 0 398.38 425.35 40.85 o 8 6 0 49.36 34.58 13.68 o 9 6 0 21.35 26.63 18.06 o 10 6 0 67.65 113.82 36.03 o 1 7 0 849.44 784.42 48.28 o 2 7 0 4281.49 4154.90 133.49 o 3 7 0 3558.21 3378.58 91.59 o 4 7 0 1642.10 1613.70 106.23 o 5 7 0 577.47 554.31 45.78 o 6 7 0 24.01 37.71 19.55 o 7 7 0 34.09 45.85 15.52 o 8 7 0 18.20 40.93 13.42 o 9 7 0 172.45 163.96 29.34 o 0 8 0 1733.63 1494.70 107.23 o 1 8 0 955.85 976.94 55.55 o 2 8 0 6.67 16.21 10.18 o 3 8 0 79.80 69.50 15.94 o 4 8 0 11.25 28.66 12.12 o 5 8 0 41.64 25.87 11.90 o 6 8 0 153.48 161.36 23.06 o 7 8 0 510.78 486.12 44.56 o 8 8 0 314.72 292.24 39.55 o 9 8 0 223.19 236.62 36.62 o 1 9 0 0.42 -13.39 22.61 o 2 9 0 7.34 14.58 14.94 o 3 9 0 105.79 101.85 23.08 o 4 9 0 95.12 65.35 19.72 o 5 9 0 10.40 15.47 12.68 o 6 9 0 41.69 54.04 15.54 o 7 9 0 28.91 17.47 17.25 o 8 9 0 7.67 -11.14 16.33 o 0 10 0 600.25 716.13 100.77 o 1 10 0 498.16 602.60 66.45 o 2 10 0 107.64 108.32 24.69 o 3 10 0 70.53 50.67 20.05 o 4 10 0 20.21 26.75 18.91 o 5 10 0 42.00 10.92 16.70 o 6 10 0 118.99 154.34 25.87 o 1 11 0 138.33 188.39 46.43 o 2 11 0 618.60 530.58 65.77 o 3 11 0 464.35 487.95 51.80 o 4 11 0 231.31 267.04 39.19 o 5 11 0 485.31 552.93 65.43 o 0 12 0 184.21 303.64 71.24 o 1 12 0 93.31 113.92 28.65 o 2 12 0 20.79 76.49 40.92 o -12 1 1 7.77 -29.52 29.25 o -11 1 1 230.89 161.06 58.41 o -10 1 1 54.30 61.51 26.38 o -9 1 1 15.36 2.80 16.19 o -8 1 1 765.57 699.49 33.98 o -7 1 1 936.49 963.90 80.72 o -6 1 1 2522.53 2319.19 57.21 o -5 1 1 1222.99 1288.77 38.19 o -4 1 1 763.90 799.93 26.35 o -3 1 1 2174.52 2101.07 52.62 o -2 1 1 8857.90 9234.80 101.77 o -1 1 1 2207.01 2613.58 41.72 o 0 1 1 17660.11 19661.15 201.00 o 1 1 1 3728.93 4264.85 61.53 o 2 1 1 453.23 457.77 16.76 o 3 1 1 2142.21 1283.03 56.62 o 4 1 1 170.44 197.04 30.69 o 6 1 1 3914.26 3865.61 125.80 o 7 1 1 2711.70 2776.09 124.01 o 8 1 1 250.32 253.51 33.08 o 9 1 1 4.04 21.62 12.12 o 10 1 1 551.89 586.24 70.80 o 11 1 1 1.08 -1.70 31.23 o 12 1 1 72.82 136.75 48.72 o -11 2 1 71.33 100.69 29.04 o -10 2 1 219.98 274.01 46.07 o -9 2 1 610.60 561.27 83.54 o -8 2 1 4.04 36.31 11.19 o -7 2 1 629.04 703.85 45.69 o -6 2 1 3991.67 4281.12 82.86 o -5 2 1 11443.66 12005.57 137.27 o -4 2 1 6469.64 6304.19 81.74 o -3 2 1 2455.44 2581.17 42.03 o -2 2 1 25396.14 27901.49 286.45 o -1 2 1 346.66 398.40 17.17 o 0 2 1 2895.45 3119.55 37.04 o 1 2 1 193.75 221.68 14.09 o 2 2 1 183.35 150.00 13.31 o 3 2 1 3679.35 3809.33 67.26 o 4 2 1 6270.88 6063.46 97.03 o 5 2 1 2209.33 1806.28 63.42 o 6 2 1 2612.88 2447.25 80.83 o 7 2 1 3.41 15.12 9.11 o 8 2 1 422.21 387.83 33.00 o 9 2 1 1102.62 1160.48 57.84 o 10 2 1 561.86 461.09 58.62 o 11 2 1 518.02 574.63 67.87 o -11 3 1 19.98 29.01 19.92 o -10 3 1 53.80 43.29 24.83 o -9 3 1 187.03 179.71 37.44 o -8 3 1 62.12 56.91 14.28 o -7 3 1 1493.41 1398.03 43.15 o -6 3 1 458.36 422.91 25.89 o -5 3 1 38.40 64.14 10.03 o -4 3 1 2666.39 3247.92 62.58 o -3 3 1 6532.30 7183.03 123.99 o -2 3 1 479.90 426.85 13.13 o -1 3 1 433.80 472.22 21.46 o 0 3 1 6433.18 6890.19 72.61 o 1 3 1 623.10 578.82 33.91 o 2 3 1 1163.39 1218.45 36.34 o 3 3 1 1613.23 1624.83 31.98 o 4 3 1 132.10 171.98 13.88 o 5 3 1 7.62 9.47 5.91 o 6 3 1 802.86 712.29 35.38 o 7 3 1 493.51 471.32 36.19 o 8 3 1 421.07 398.47 42.02 o 9 3 1 703.30 637.62 70.98 o 10 3 1 15.88 34.32 31.45 o 11 3 1 25.72 44.96 25.09 o -11 4 1 18.36 4.59 20.26 o -10 4 1 352.07 351.73 54.51 o -9 4 1 33.19 43.34 22.82 o -8 4 1 8.01 30.48 12.58 o -7 4 1 82.16 88.33 17.54 o -6 4 1 698.66 683.90 39.13 o -5 4 1 758.46 712.41 30.53 o -4 4 1 53.49 77.42 10.26 o -3 4 1 1429.73 1388.94 96.66 o -2 4 1 1433.48 1402.10 43.43 o -1 4 1 131.63 142.16 16.34 o 0 4 1 2132.51 2136.65 39.57 o 1 4 1 1.44 9.91 3.69 o 2 4 1 249.75 283.16 23.74 o 3 4 1 1234.17 1338.48 44.40 o 4 4 1 1133.52 1042.11 27.30 o 5 4 1 2197.28 2182.29 63.03 o 6 4 1 111.98 140.68 20.93 o 7 4 1 41.47 10.69 22.01 o 8 4 1 26.92 17.24 13.04 o 9 4 1 118.98 122.97 29.98 o 10 4 1 227.34 267.72 72.28 o 11 4 1 33.69 20.77 23.40 o -11 5 1 27.27 59.09 26.70 o -10 5 1 291.43 337.37 55.28 o -9 5 1 204.48 222.30 39.86 o -8 5 1 1087.19 1002.78 59.85 o -7 5 1 3084.54 2955.31 75.87 o -6 5 1 1325.25 1191.65 86.54 o -5 5 1 23.64 47.56 12.42 o -4 5 1 173.82 209.27 23.70 o -3 5 1 712.80 701.73 34.21 o -2 5 1 601.59 623.08 36.42 o -1 5 1 3606.22 3763.55 106.35 o 0 5 1 6406.64 6414.62 90.28 o 1 5 1 3480.17 3326.81 54.30 o 2 5 1 21.06 18.63 8.85 o 3 5 1 37.05 39.27 11.61 o 4 5 1 49.77 24.56 15.42 o 5 5 1 1007.32 1017.11 55.55 o 6 5 1 4962.73 4907.89 110.23 o 7 5 1 1532.18 1477.32 102.35 o 8 5 1 613.28 724.88 65.38 o 9 5 1 68.72 68.63 25.20 o 10 5 1 23.88 58.55 28.13 o 11 5 1 4.27 27.69 21.25 o -10 6 1 107.21 115.05 33.80 o -9 6 1 196.09 206.39 43.25 o -8 6 1 3.10 7.68 13.28 o -7 6 1 21.60 16.51 10.78 o -6 6 1 454.57 451.59 35.05 o -5 6 1 843.24 810.14 64.82 o -4 6 1 2866.02 2484.28 141.14 o -3 6 1 4419.97 4139.88 95.24 o -2 6 1 1705.10 1755.92 58.94 o -1 6 1 758.43 706.09 29.99 o 0 6 1 757.95 716.16 29.00 o 1 6 1 898.01 832.56 29.04 o 2 6 1 1234.43 1092.59 46.65 o 3 6 1 3673.96 3775.57 92.04 o 4 6 1 1681.77 1532.05 115.57 o 5 6 1 307.05 278.66 33.70 o 6 6 1 56.92 68.18 19.05 o 7 6 1 168.86 155.36 26.45 o 8 6 1 692.78 605.47 50.10 o 9 6 1 453.31 533.29 51.80 o 10 6 1 166.93 168.19 36.45 o -9 7 1 5.57 39.06 20.46 o -8 7 1 81.92 75.86 20.45 o -7 7 1 14.87 47.52 14.04 o -6 7 1 167.24 163.93 22.29 o -5 7 1 469.53 492.84 43.04 o -4 7 1 44.01 43.87 13.03 o -3 7 1 18.04 12.60 10.79 o -2 7 1 245.03 283.28 34.66 o -1 7 1 32.46 37.88 11.13 o 0 7 1 223.51 256.40 36.16 o 1 7 1 69.10 64.05 25.98 o 2 7 1 79.83 92.63 20.00 o 3 7 1 40.73 47.03 16.74 o 4 7 1 137.88 109.59 21.07 o 5 7 1 304.09 312.25 35.81 o 6 7 1 103.79 130.86 25.16 o 7 7 1 35.42 27.09 17.06 o 8 7 1 15.21 17.03 18.32 o 9 7 1 0.16 -6.35 15.42 o -9 8 1 34.41 63.71 47.42 o -8 8 1 11.75 1.12 15.21 o -7 8 1 186.85 204.37 26.60 o -6 8 1 14.26 33.73 14.62 o -5 8 1 897.67 873.03 64.11 o -4 8 1 716.91 748.52 49.24 o -3 8 1 139.35 146.66 20.91 o -2 8 1 2.37 16.11 9.11 o -1 8 1 3.44 21.40 15.58 o 0 8 1 63.95 80.03 23.67 o 1 8 1 242.64 236.76 37.46 o 2 8 1 646.84 652.34 50.36 o 3 8 1 1332.20 1188.95 79.49 o 4 8 1 1109.73 1085.32 59.52 o 5 8 1 454.75 529.30 48.29 o 6 8 1 124.05 132.22 25.19 o 7 8 1 69.86 95.48 19.10 o 8 8 1 4.08 16.31 13.96 o 9 8 1 105.71 98.63 27.61 o -8 9 1 236.76 323.52 42.56 o -7 9 1 814.93 766.16 71.91 o -6 9 1 106.54 103.29 24.76 o -5 9 1 1.41 -7.10 10.82 o -4 9 1 224.09 199.95 24.27 o -3 9 1 1218.62 1188.30 65.83 o -2 9 1 1293.30 1214.92 66.70 o -1 9 1 676.44 602.46 60.92 o 0 9 1 263.25 157.29 32.76 o 1 9 1 321.90 287.93 42.57 o 2 9 1 434.51 338.70 39.99 o 3 9 1 377.01 418.70 44.98 o 4 9 1 2.14 7.89 9.77 o 5 9 1 150.84 154.25 28.32 o 6 9 1 541.05 508.35 42.69 o 7 9 1 960.47 889.30 73.20 o 8 9 1 215.60 171.23 32.56 o -6 10 1 147.01 166.63 26.55 o -5 10 1 350.03 321.62 40.44 o -4 10 1 98.17 98.49 25.99 o -3 10 1 57.58 45.52 30.91 o -2 10 1 11.74 6.21 14.46 o -1 10 1 40.96 32.78 30.87 o 0 10 1 85.74 61.36 22.94 o 1 10 1 34.60 70.82 25.09 o 2 10 1 115.00 212.16 70.44 o 3 10 1 178.10 195.55 32.45 o 4 10 1 208.63 223.85 36.05 o 5 10 1 518.73 498.29 50.35 o 6 10 1 42.71 36.55 25.60 o -5 11 1 19.46 18.36 18.59 o -4 11 1 11.65 29.25 18.62 o -3 11 1 36.29 38.61 41.40 o -2 11 1 115.76 114.44 32.12 o -1 11 1 71.08 88.75 74.25 o 0 11 1 27.44 66.51 26.04 o 1 11 1 22.23 74.93 25.95 o 2 11 1 0.53 1.92 18.17 o 3 11 1 0.02 6.74 41.19 o 4 11 1 4.28 -15.78 15.61 o 5 11 1 4.26 6.77 15.98 o -2 12 1 102.26 95.32 30.68 o -1 12 1 7.43 1.60 25.12 o 0 12 1 153.05 206.63 40.10 o 1 12 1 157.55 142.72 33.73 o 2 12 1 420.60 336.03 52.07 o -12 0 2 16.63 -40.02 30.24 o -11 0 2 99.07 108.21 45.40 o -10 0 2 291.81 316.83 66.85 o -9 0 2 920.20 899.71 101.39 o -8 0 2 1180.81 1228.66 97.63 o -7 0 2 587.38 601.70 40.55 o -6 0 2 400.34 508.14 34.40 o -5 0 2 1201.38 1304.84 74.65 o -4 0 2 1708.30 1489.30 44.35 o -3 0 2 2641.09 2673.67 55.32 o -2 0 2 1615.46 1589.20 33.19 o -1 0 2 25470.50 29541.46 494.77 o 0 0 2 18372.35 19696.68 235.20 o 1 0 2 759.53 810.31 22.49 o 2 0 2 4692.84 4813.42 114.85 o 3 0 2 17802.57 18315.65 343.39 o 4 0 2 6197.69 6398.57 165.10 o 5 0 2 6703.64 6871.17 187.26 o 6 0 2 8684.91 8267.18 223.16 o 7 0 2 2578.15 -1.44 11.22 o 8 0 2 20.19 7.99 17.95 o 9 0 2 684.81 566.10 73.76 o 10 0 2 693.89 585.48 87.58 o 11 0 2 24.63 38.31 34.01 o 12 0 2 223.64 190.76 59.04 o -12 1 2 72.47 116.47 52.58 o -11 1 2 97.77 66.58 43.70 o -10 1 2 168.13 107.74 58.86 o -9 1 2 45.51 82.35 25.63 o -8 1 2 42.44 52.90 18.03 o -7 1 2 293.76 284.44 22.53 o -6 1 2 2690.08 2851.99 56.69 o -5 1 2 31.77 30.97 7.01 o -4 1 2 2112.09 2103.34 46.46 o -3 1 2 1203.59 1173.47 24.99 o -2 1 2 404.10 408.95 12.11 o -1 1 2 2150.36 2704.95 29.98 o 0 1 2 11487.14 12290.89 153.47 o 1 1 2 75.75 74.04 5.48 o 2 1 2 20696.68 22958.95 233.24 o 3 1 2 13479.61 14548.87 205.34 o 4 1 2 5001.10 4902.49 101.26 o 5 1 2 809.91 1061.55 70.80 o 6 1 2 355.87 340.65 34.32 o 7 1 2 0.67 -9.74 8.61 o 8 1 2 412.43 382.51 59.04 o 9 1 2 407.55 555.21 51.11 o 10 1 2 141.38 164.11 47.29 o 11 1 2 346.22 268.11 67.57 o -11 2 2 94.95 98.05 31.66 o -10 2 2 45.04 46.87 21.06 o -9 2 2 47.74 62.56 23.65 o -8 2 2 89.38 113.41 19.83 o -7 2 2 1119.20 1037.54 36.19 o -6 2 2 243.78 261.64 20.35 o -5 2 2 83.62 78.45 11.00 o -4 2 2 891.01 1193.06 29.97 o -3 2 2 1769.57 1776.48 31.16 o -2 2 2 41190.05 45819.46 341.51 o -1 2 2 10858.24 12115.63 133.20 o 0 2 2 3283.28 3671.10 41.20 o 1 2 2 121.96 125.95 7.81 o 2 2 2 4.26 3.89 4.54 o 3 2 2 702.34 649.76 25.63 o 4 2 2 226.04 215.46 20.87 o 5 2 2 25.44 33.10 13.15 o 6 2 2 42.37 53.24 12.17 o 7 2 2 24.93 22.91 10.01 o 8 2 2 286.47 280.58 38.16 o 9 2 2 578.38 583.86 38.64 o 10 2 2 1.20 25.03 25.84 o 11 2 2 5.82 -3.37 17.35 o -11 3 2 158.90 106.83 60.61 o -10 3 2 101.93 78.51 28.91 o -9 3 2 86.86 77.39 27.46 o -8 3 2 21.72 40.11 14.56 o -7 3 2 3549.49 3530.33 65.53 o -6 3 2 3600.58 3648.04 83.58 o -5 3 2 3448.07 3372.30 56.26 o -4 3 2 378.50 257.90 15.97 o -3 3 2 3490.17 3397.16 59.34 o -2 3 2 2743.32 2852.07 101.99 o -1 3 2 1252.06 1329.98 24.45 o 0 3 2 942.60 996.34 24.25 o 1 3 2 6300.45 6565.44 75.87 o 2 3 2 30.24 26.78 7.72 o 3 3 2 2048.24 1935.09 49.76 o 4 3 2 3237.73 3515.72 74.19 o 5 3 2 1376.74 1299.82 45.79 o 6 3 2 159.94 174.84 22.52 o 7 3 2 189.57 214.42 21.01 o 8 3 2 8.91 10.59 15.23 o 9 3 2 917.05 909.22 54.57 o 10 3 2 1035.67 983.70 113.96 o 11 3 2 117.97 166.95 37.31 o -11 4 2 57.60 79.17 30.28 o -10 4 2 738.17 837.36 83.77 o -9 4 2 1192.63 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