#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:31:11 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181060 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/40/2214019.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_2214019_Fobs loop_ _publ_author_name 'Tai, Xi-Shi' 'Yin, Jie' 'Hao, Ming-Yang' _publ_section_title ; Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II) pyridine solvate ; _journal_coeditor_code AT2306 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1927 _journal_page_last m1928 _journal_volume 63 _journal_year 2007 _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 15.4466 _cell_length_b 10.0122 _cell_length_c 23.5982 _exptl_crystal_F_000 1584.00 _reflns_d_resolution_high 0.8408 _cod_data_source_file at2306Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070522c in Pbcn' _shelx_refln_list_code 4 _shelx_f_calc_maximum 436.51 _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+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y-1/2, -z-1/2' 'x, -y, z-1/2' '-x-1/2, y-1/2, z' 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 0 128.26 153.05 18.74 o 4 0 0 67702.41 72572.87 1188.08 o 6 0 0 12961.58 14598.90 272.12 o 8 0 0 5358.51 5772.52 239.64 o 10 0 0 320.55 389.71 49.65 o 12 0 0 747.25 908.56 72.17 o 14 0 0 3844.60 3243.97 186.81 o 16 0 0 406.19 371.03 110.85 o 18 0 0 431.09 490.65 131.59 o 1 1 0 12543.71 13165.39 183.80 o 3 1 0 18370.60 18143.11 460.40 o 5 1 0 2359.12 2147.82 44.34 o 7 1 0 6725.66 6798.77 107.53 o 9 1 0 2175.50 2046.21 62.26 o 11 1 0 151.37 166.62 30.23 o 13 1 0 6239.21 6098.76 123.26 o 15 1 0 5.58 -24.18 81.64 o 17 1 0 189.25 206.37 76.16 o 0 2 0 1299.95 1156.75 53.63 o 2 2 0 1075.31 1149.30 37.61 o 4 2 0 14.09 3.16 10.73 o 6 2 0 1299.36 1458.65 69.05 o 8 2 0 5202.79 5382.35 139.14 o 10 2 0 305.69 460.96 39.38 o 12 2 0 3940.03 3680.22 88.80 o 14 2 0 405.22 504.86 62.33 o 16 2 0 1.36 -31.14 53.86 o 18 2 0 0.16 -45.28 62.81 o 1 3 0 3992.61 3680.20 84.87 o 3 3 0 9748.08 9503.68 132.85 o 5 3 0 7009.30 6865.19 107.26 o 7 3 0 1992.91 1826.63 50.29 o 9 3 0 813.07 761.39 43.48 o 11 3 0 21.45 -4.93 23.98 o 13 3 0 655.02 776.94 57.65 o 15 3 0 501.84 699.87 89.01 o 17 3 0 405.09 379.71 85.46 o 0 4 0 12492.20 12329.32 341.72 o 2 4 0 3502.26 3342.27 75.66 o 4 4 0 1477.36 1406.31 42.86 o 6 4 0 4730.37 3983.78 79.39 o 8 4 0 3741.00 3900.02 83.31 o 10 4 0 1831.47 1724.02 59.13 o 12 4 0 132.90 176.78 37.30 o 14 4 0 759.43 924.75 77.96 o 16 4 0 773.42 1022.58 166.87 o 1 5 0 4457.68 4555.29 123.49 o 3 5 0 4332.64 4359.74 98.60 o 5 5 0 2076.42 1853.60 53.14 o 7 5 0 2.68 -18.35 21.48 o 9 5 0 4.60 -3.69 24.75 o 11 5 0 522.39 471.25 48.55 o 13 5 0 111.02 89.96 48.34 o 15 5 0 3.66 -36.65 53.65 o 0 6 0 1631.29 1689.85 109.85 o 2 6 0 10.03 -7.29 32.70 o 4 6 0 245.77 215.63 50.87 o 6 6 0 903.97 842.81 44.29 o 8 6 0 121.86 133.55 33.00 o 10 6 0 356.33 433.72 47.07 o 12 6 0 64.08 54.08 57.38 o 14 6 0 298.99 297.99 77.67 o 1 7 0 6969.42 6986.25 186.76 o 3 7 0 357.70 416.76 61.23 o 5 7 0 711.76 750.58 50.61 o 7 7 0 563.84 591.54 50.25 o 9 7 0 449.86 571.53 97.24 o 11 7 0 126.12 146.27 51.15 o 13 7 0 269.28 340.20 83.06 o 0 8 0 1292.74 1113.29 110.05 o 2 8 0 1163.29 1103.32 96.49 o 4 8 0 132.94 191.47 70.38 o 6 8 0 3201.02 3084.37 102.28 o 8 8 0 631.12 891.49 79.50 o 10 8 0 29.20 -49.06 43.32 o 12 8 0 230.29 278.76 131.39 o 1 9 0 0.75 -33.80 64.20 o 3 9 0 104.14 30.79 54.68 o 5 9 0 1355.85 1491.30 97.54 o 7 9 0 930.11 932.93 117.03 o 9 9 0 7.59 -8.08 49.40 o 11 9 0 2.71 -14.46 66.60 o 0 10 0 1329.00 1415.54 171.46 o 2 10 0 835.45 917.72 170.46 o 4 10 0 660.31 665.48 95.70 o 6 10 0 1569.20 1794.30 186.60 o 8 10 0 7.35 10.65 58.24 o 1 11 0 286.76 227.99 78.86 o 3 11 0 617.93 659.69 103.51 o 5 11 0 6.48 -46.29 65.37 o 7 11 0 920.24 1014.64 405.82 o 1 1 1 18449.37 14259.62 2653.93 o 2 1 1 484.74 565.99 11.01 o 3 1 1 379.98 338.41 14.32 o 4 1 1 1145.25 1212.03 20.71 o 5 1 1 8790.89 9222.28 90.27 o 6 1 1 1096.89 1057.29 23.20 o 7 1 1 10993.91 11334.13 113.32 o 8 1 1 245.41 191.51 17.95 o 9 1 1 5633.00 5909.88 74.10 o 10 1 1 6.71 -8.11 14.87 o 11 1 1 4744.99 4627.90 68.04 o 12 1 1 364.16 398.12 29.40 o 13 1 1 724.75 747.08 48.55 o 14 1 1 340.33 443.75 41.51 o 15 1 1 596.97 619.63 59.07 o 16 1 1 16.58 -56.83 38.49 o 17 1 1 33.61 -43.53 40.54 o 18 1 1 1.04 -63.09 42.06 o 0 2 1 247.11 264.34 37.46 o 1 2 1 262.98 274.73 13.59 o 2 2 1 14062.67 14069.27 133.81 o 3 2 1 373.54 355.99 15.11 o 4 2 1 6187.33 6258.02 65.83 o 5 2 1 4029.19 4068.77 49.71 o 6 2 1 13936.65 14381.32 136.68 o 7 2 1 460.36 583.92 25.23 o 8 2 1 5223.78 5041.75 65.12 o 9 2 1 73.10 78.21 16.56 o 10 2 1 2459.70 2483.59 46.30 o 11 2 1 22.27 -3.46 17.19 o 12 2 1 997.72 1069.16 39.62 o 13 2 1 172.99 161.33 29.16 o 14 2 1 2975.13 3142.69 82.02 o 15 2 1 320.31 386.95 48.22 o 16 2 1 334.58 246.32 51.23 o 17 2 1 15.22 -60.62 40.41 o 18 2 1 117.41 178.78 54.73 o 1 3 1 234.21 309.37 22.27 o 2 3 1 1785.87 1789.81 36.02 o 3 3 1 444.25 419.26 15.82 o 4 3 1 4.45 -11.80 7.86 o 5 3 1 708.15 613.67 19.28 o 6 3 1 2045.80 2151.00 36.78 o 7 3 1 957.52 1138.22 27.97 o 8 3 1 335.48 355.10 22.82 o 9 3 1 926.06 854.72 27.87 o 10 3 1 0.57 -22.58 15.38 o 11 3 1 121.69 166.39 21.58 o 12 3 1 148.40 126.60 24.68 o 13 3 1 877.73 1046.84 49.03 o 14 3 1 66.74 45.99 30.60 o 15 3 1 887.22 1038.80 78.11 o 16 3 1 80.03 42.24 43.70 o 17 3 1 26.09 -55.68 40.98 o 0 4 1 10658.24 10711.48 215.97 o 1 4 1 39.55 7.93 13.05 o 2 4 1 774.73 768.75 24.52 o 3 4 1 6.89 -16.39 10.93 o 4 4 1 1062.61 946.22 24.17 o 5 4 1 184.93 183.00 16.91 o 6 4 1 2475.06 2287.01 40.41 o 7 4 1 243.14 303.46 22.29 o 8 4 1 2200.41 2087.06 41.70 o 9 4 1 0.19 -22.34 14.89 o 10 4 1 2.47 8.40 18.35 o 11 4 1 2.56 -27.10 18.07 o 12 4 1 128.02 121.04 25.00 o 13 4 1 2.98 -33.34 22.22 o 14 4 1 183.47 210.60 35.80 o 15 4 1 138.02 111.15 44.00 o 16 4 1 381.93 477.40 114.83 o 17 4 1 1.66 -40.65 63.13 o 1 5 1 920.91 908.91 37.24 o 2 5 1 0.00 -17.78 14.95 o 3 5 1 2489.69 2309.44 47.99 o 4 5 1 52.16 37.59 13.55 o 5 5 1 390.52 461.99 25.06 o 6 5 1 13.85 -4.38 14.13 o 7 5 1 2470.35 2418.43 45.94 o 8 5 1 1511.94 1485.99 37.32 o 9 5 1 2185.64 2064.05 45.25 o 10 5 1 134.31 95.99 22.87 o 11 5 1 506.80 632.31 42.30 o 12 5 1 387.97 401.25 36.04 o 13 5 1 1043.09 1220.29 66.46 o 14 5 1 5.53 -4.96 34.01 o 15 5 1 1190.62 1174.30 152.02 o 16 5 1 15.01 55.40 65.00 o 0 6 1 6978.34 6548.93 168.47 o 1 6 1 494.34 490.56 49.01 o 2 6 1 1166.23 989.62 43.08 o 3 6 1 8.85 -10.99 17.59 o 4 6 1 1784.85 1543.29 42.89 o 5 6 1 189.75 181.28 20.97 o 6 6 1 3252.72 3098.59 54.53 o 7 6 1 46.23 47.83 19.45 o 8 6 1 2218.85 2174.40 47.64 o 9 6 1 43.30 31.89 21.70 o 10 6 1 2581.24 2521.25 59.21 o 11 6 1 204.06 180.37 31.26 o 12 6 1 891.07 968.28 69.21 o 13 6 1 55.81 23.25 40.90 o 14 6 1 992.91 1147.34 92.86 o 15 6 1 4.39 -50.60 46.64 o 1 7 1 304.10 325.36 40.44 o 2 7 1 35.59 -9.90 26.63 o 3 7 1 436.77 483.49 45.31 o 4 7 1 22.65 -3.01 22.05 o 5 7 1 301.74 281.07 26.41 o 6 7 1 233.76 291.86 27.90 o 7 7 1 918.81 1016.40 45.45 o 8 7 1 27.32 3.26 23.89 o 9 7 1 323.06 318.93 35.48 o 10 7 1 37.58 38.09 31.73 o 11 7 1 194.63 156.13 49.47 o 12 7 1 28.51 20.94 38.37 o 13 7 1 142.07 174.41 50.55 o 14 7 1 8.63 -34.54 45.01 o 0 8 1 580.15 718.62 77.09 o 1 8 1 179.92 102.30 37.31 o 2 8 1 1076.10 1092.09 67.10 o 3 8 1 52.04 40.90 32.93 o 4 8 1 48.06 30.82 32.70 o 5 8 1 29.54 43.52 24.60 o 6 8 1 375.29 405.93 35.26 o 7 8 1 412.58 422.74 42.21 o 8 8 1 2296.95 2232.93 64.73 o 9 8 1 66.84 66.61 34.12 o 10 8 1 399.93 453.53 48.82 o 11 8 1 3.94 34.51 39.35 o 12 8 1 727.33 946.16 151.91 o 13 8 1 23.75 -13.01 47.79 o 1 9 1 1167.27 1244.41 67.90 o 2 9 1 1.65 -6.95 35.27 o 3 9 1 480.39 530.31 59.00 o 4 9 1 55.29 17.86 35.24 o 5 9 1 3240.48 2946.58 92.09 o 6 9 1 9.55 35.30 35.54 o 7 9 1 693.11 797.79 66.65 o 8 9 1 71.88 52.97 35.04 o 9 9 1 699.76 846.09 66.54 o 10 9 1 5.78 -43.58 36.09 o 11 9 1 333.63 428.34 58.28 o 12 9 1 13.34 -17.42 48.82 o 0 10 1 236.18 384.62 80.18 o 1 10 1 45.22 53.29 40.99 o 2 10 1 97.12 73.08 44.11 o 3 10 1 54.89 6.13 42.26 o 4 10 1 936.71 1082.19 97.27 o 5 10 1 349.70 401.87 63.42 o 6 10 1 4.80 29.61 43.69 o 7 10 1 0.09 2.88 44.83 o 8 10 1 351.50 325.69 54.48 o 9 10 1 4.77 18.87 38.59 o 1 11 1 9.85 -22.70 43.12 o 2 11 1 13.78 -52.95 42.62 o 3 11 1 35.21 13.05 46.30 o 4 11 1 15.12 -55.31 45.02 o 5 11 1 3.04 -66.36 44.24 o 6 11 1 0.03 -45.89 44.94 o 7 11 1 307.71 341.26 65.02 o 0 0 2 49101.47 49912.80 1174.89 o 1 0 2 11.93 -33.88 22.58 o 2 0 2 8755.42 9661.65 245.60 o 3 0 2 43918.45 44008.48 1728.63 o 4 0 2 12205.94 13035.16 166.36 o 5 0 2 12531.94 12921.27 169.17 o 6 0 2 24291.53 24060.71 300.13 o 7 0 2 577.29 546.79 28.84 o 8 0 2 12039.56 12130.73 172.96 o 9 0 2 71.93 44.99 21.98 o 10 0 2 8897.77 8861.30 143.54 o 11 0 2 272.52 301.95 35.05 o 12 0 2 1860.68 1781.27 59.70 o 13 0 2 77.77 55.88 38.85 o 14 0 2 4282.10 3986.20 117.16 o 15 0 2 212.52 234.47 52.62 o 16 0 2 204.57 193.35 112.15 o 17 0 2 31.92 -25.48 80.94 o 18 0 2 734.98 691.97 104.39 o 1 1 2 7594.50 7792.58 91.87 o 2 1 2 23782.41 25144.52 226.24 o 3 1 2 948.71 831.60 15.55 o 4 1 2 304.28 295.01 20.84 o 5 1 2 10393.56 10800.72 103.19 o 6 1 2 254.48 248.93 15.77 o 7 1 2 2952.13 2769.21 41.65 o 8 1 2 150.79 105.51 15.33 o 9 1 2 3230.72 3079.95 48.97 o 10 1 2 47.89 20.28 15.73 o 11 1 2 90.48 97.37 19.80 o 12 1 2 75.17 69.69 21.81 o 13 1 2 1586.50 1529.09 50.17 o 14 1 2 86.46 69.82 30.51 o 15 1 2 1073.19 1222.52 84.15 o 16 1 2 20.45 -38.44 36.56 o 17 1 2 221.71 133.83 49.55 o 18 1 2 186.40 234.63 56.35 o 0 2 2 11577.47 11788.12 497.03 o 1 2 2 3372.81 3242.69 46.86 o 2 2 2 46091.25 46491.62 444.51 o 3 2 2 5407.97 5283.27 67.91 o 4 2 2 992.17 1006.21 19.16 o 5 2 2 8288.45 8328.82 85.05 o 6 2 2 1659.54 1547.22 29.11 o 7 2 2 857.91 769.17 22.43 o 8 2 2 558.29 600.77 28.73 o 9 2 2 0.35 -19.93 13.29 o 10 2 2 176.55 250.16 22.12 o 11 2 2 129.85 163.13 22.34 o 12 2 2 93.58 83.75 24.44 o 13 2 2 41.15 -2.90 23.56 o 14 2 2 30.46 42.95 29.83 o 15 2 2 1173.86 1379.41 80.88 o 16 2 2 3.34 -25.52 38.69 o 17 2 2 39.61 -64.91 43.27 o 18 2 2 30.57 -25.29 46.57 o 1 3 2 7131.68 6942.11 90.72 o 2 3 2 403.61 393.31 31.43 o 3 3 2 94.79 56.25 9.72 o 4 3 2 1667.50 1648.17 28.99 o 5 3 2 3855.81 3398.79 46.42 o 6 3 2 2774.33 2929.98 43.95 o 7 3 2 5921.75 5884.74 72.00 o 8 3 2 33.68 29.08 14.69 o 9 3 2 581.61 578.54 26.54 o 10 3 2 6.78 -19.43 15.82 o 11 3 2 737.40 796.51 39.11 o 12 3 2 1.03 -30.58 22.02 o 13 3 2 625.29 719.92 43.62 o 14 3 2 646.22 741.36 51.58 o 15 3 2 1143.96 1450.92 74.74 o 16 3 2 62.68 26.33 43.28 o 17 3 2 159.04 29.95 56.78 o 0 4 2 1627.62 1203.19 53.18 o 1 4 2 265.45 291.78 22.28 o 2 4 2 1878.25 1704.60 36.44 o 3 4 2 871.82 826.78 26.48 o 4 4 2 8468.04 7945.57 86.91 o 5 4 2 152.86 107.93 14.98 o 6 4 2 118.68 103.90 16.10 o 7 4 2 4794.87 4620.23 63.54 o 8 4 2 4324.33 3959.77 59.94 o 9 4 2 323.64 341.75 25.50 o 10 4 2 1716.05 1689.78 48.87 o 11 4 2 54.80 34.97 20.57 o 12 4 2 818.46 929.20 46.51 o 13 4 2 237.10 148.77 29.72 o 14 4 2 865.52 879.44 72.11 o 15 4 2 25.25 -55.56 37.47 o 16 4 2 1040.60 1124.61 87.21 o 17 4 2 19.66 -14.76 50.57 o 1 5 2 2127.53 2062.01 82.97 o 2 5 2 4.84 -24.11 16.36 o 3 5 2 605.11 565.83 30.56 o 4 5 2 1.24 -18.05 12.03 o 5 5 2 498.62 577.25 27.51 o 6 5 2 1366.35 1360.76 35.83 o 7 5 2 7.51 13.57 16.16 o 8 5 2 567.19 596.74 31.84 o 9 5 2 826.37 930.99 38.28 o 10 5 2 58.46 13.69 20.22 o 11 5 2 260.55 224.28 27.83 o 12 5 2 137.38 124.91 32.31 o 13 5 2 351.40 446.47 44.19 o 14 5 2 179.18 154.00 46.34 o 15 5 2 107.06 73.18 44.44 o 16 5 2 16.18 7.92 53.57 o 0 6 2 1296.58 1292.08 69.01 o 1 6 2 5567.92 5683.73 108.32 o 2 6 2 1375.09 1207.15 41.53 o 3 6 2 33.28 -21.21 19.29 o 4 6 2 182.59 164.19 21.54 o 5 6 2 228.65 204.16 21.88 o 6 6 2 105.69 115.03 22.67 o 7 6 2 10.28 -8.29 17.30 o 8 6 2 524.49 615.21 34.92 o 9 6 2 152.06 114.72 27.46 o 10 6 2 6.96 24.10 25.71 o 11 6 2 54.28 24.36 30.12 o 12 6 2 1.71 -10.30 28.23 o 13 6 2 1.45 -42.43 28.29 o 14 6 2 269.74 281.73 54.73 o 15 6 2 13.22 -44.15 50.59 o 1 7 2 5145.37 5136.13 117.61 o 2 7 2 163.07 190.97 32.50 o 3 7 2 826.78 863.37 49.32 o 4 7 2 184.86 200.18 30.75 o 5 7 2 1094.77 1052.91 55.38 o 6 7 2 82.63 39.00 21.88 o 7 7 2 851.24 907.97 45.90 o 8 7 2 120.89 98.16 28.02 o 9 7 2 436.89 466.32 46.36 o 10 7 2 81.07 21.65 27.82 o 11 7 2 126.11 88.73 38.94 o 12 7 2 102.93 80.50 40.34 o 13 7 2 256.34 325.07 58.38 o 14 7 2 142.03 126.60 52.07 o 0 8 2 3442.54 3220.89 125.68 o 1 8 2 159.42 175.55 39.75 o 2 8 2 1094.08 1236.79 100.32 o 3 8 2 2.95 -44.55 29.70 o 4 8 2 1332.90 1232.04 52.43 o 5 8 2 23.75 -13.99 25.15 o 6 8 2 760.71 816.97 45.89 o 7 8 2 12.43 -7.76 25.97 o 8 8 2 28.81 54.29 32.11 o 9 8 2 174.86 145.87 36.93 o 10 8 2 142.37 153.31 43.73 o 11 8 2 2.83 -28.09 35.92 o 12 8 2 92.21 113.05 46.02 o 13 8 2 22.16 13.53 47.13 o 1 9 2 77.61 -39.17 34.85 o 2 9 2 254.00 187.45 45.88 o 3 9 2 10.88 -27.35 35.68 o 4 9 2 36.57 36.11 37.29 o 5 9 2 130.24 110.32 44.93 o 6 9 2 60.12 16.84 36.20 o 7 9 2 89.94 106.19 39.99 o 8 9 2 0.13 -20.79 32.25 o 9 9 2 134.21 109.22 37.83 o 10 9 2 8.17 -35.60 40.03 o 11 9 2 2.44 8.95 42.87 o 0 10 2 824.15 705.73 95.07 o 1 10 2 8.50 2.27 40.33 o 2 10 2 580.97 517.71 62.32 o 3 10 2 21.45 8.36 43.09 o 4 10 2 203.28 225.91 53.19 o 5 10 2 102.56 76.57 47.57 o 6 10 2 1120.39 1221.67 85.14 o 7 10 2 243.53 265.18 51.59 o 8 10 2 457.89 642.13 61.55 o 9 10 2 43.53 52.12 49.27 o 1 11 2 301.86 211.70 55.60 o 2 11 2 3.63 -23.95 46.54 o 3 11 2 513.56 423.04 64.04 o 4 11 2 0.18 5.33 48.01 o 5 11 2 94.87 89.52 50.60 o 6 11 2 3.00 -9.77 48.40 o 1 1 3 8023.58 8897.13 188.19 o 2 1 3 3277.66 3477.32 42.22 o 3 1 3 11641.08 12992.53 116.24 o 4 1 3 3633.71 3379.15 43.97 o 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