#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/93/2209395.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_2209395_Fobs loop_ _publ_author_name 'Chen, Hsuan-Ying' 'Lin, Chu-Chieh' _publ_section_title ; Bis{\m~2~-2-[2-(dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)] ; _journal_coeditor_code BI2022 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1693 _journal_page_last m1694 _journal_volume 62 _journal_year 2006 _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 91.634 _cell_angle_gamma 90.000 _cell_length_a 7.6532 _cell_length_b 24.2058 _cell_length_c 13.6466 _exptl_crystal_F_000 1200.00 _reflns_d_resolution_high 0.8080 _[local]_cod_data_source_file bi2022Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' snznclm.ins in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 294.76 _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 55102.72 54722.91 398.65 o 4 0 0 350.90 317.61 44.94 o 6 0 0 2194.33 2292.02 163.24 o 8 0 0 56.72 63.02 94.66 o 1 1 0 178.78 238.25 28.92 o 2 1 0 1256.19 1271.19 47.18 o 3 1 0 2071.49 2166.88 74.12 o 4 1 0 1258.91 1299.47 48.89 o 5 1 0 1105.68 1144.65 56.28 o 6 1 0 796.83 834.18 53.87 o 7 1 0 1674.62 1724.82 111.83 o 8 1 0 172.99 200.74 66.70 o 9 1 0 16.60 20.74 66.94 o 1 2 0 44407.37 47710.10 1421.58 o 2 2 0 5984.90 5191.05 219.96 o 3 2 0 176.94 292.36 29.45 o 4 2 0 2433.64 2544.27 64.36 o 5 2 0 98.91 116.74 35.28 o 6 2 0 1160.64 1172.78 62.59 o 7 2 0 134.95 158.43 61.54 o 8 2 0 1253.22 1344.60 102.57 o 9 2 0 119.50 38.68 68.93 o 1 3 0 19883.56 20227.75 555.18 o 2 3 0 9277.68 9647.05 388.51 o 3 3 0 2545.40 2391.77 52.75 o 4 3 0 13011.57 12841.75 231.34 o 5 3 0 5476.69 5532.50 87.32 o 6 3 0 1358.81 1364.80 75.02 o 7 3 0 255.44 232.62 65.26 o 8 3 0 73.58 74.65 65.68 o 9 3 0 372.15 313.98 79.95 o 0 4 0 2007.85 1984.33 45.72 o 1 4 0 5135.66 5477.40 184.49 o 2 4 0 378.04 365.34 24.31 o 3 4 0 27988.40 24387.46 931.97 o 4 4 0 3074.84 3105.04 139.30 o 5 4 0 87.15 104.06 38.01 o 6 4 0 415.30 484.75 57.05 o 7 4 0 1774.72 1623.38 97.33 o 8 4 0 44.35 56.19 64.91 o 9 4 0 54.24 124.94 74.70 o 1 5 0 28159.53 30463.24 681.24 o 2 5 0 2668.33 2398.64 81.65 o 3 5 0 4376.24 4051.86 132.49 o 4 5 0 6822.20 6645.36 325.25 o 5 5 0 515.16 517.56 44.43 o 6 5 0 1324.67 1380.12 81.13 o 7 5 0 2.62 -31.39 57.67 o 8 5 0 62.88 34.59 76.00 o 9 5 0 238.42 218.90 123.45 o 0 6 0 18486.40 20602.90 137.18 o 1 6 0 16895.66 19058.54 115.56 o 2 6 0 12452.43 12915.76 332.53 o 3 6 0 6.03 9.17 15.14 o 4 6 0 6223.18 5495.40 303.87 o 5 6 0 1614.82 1500.61 127.99 o 6 6 0 615.94 761.29 92.68 o 7 6 0 41.12 50.20 51.45 o 8 6 0 849.61 848.54 87.99 o 9 6 0 1.28 -21.30 70.78 o 1 7 0 8410.63 9191.23 254.88 o 2 7 0 3983.59 3722.91 60.86 o 3 7 0 7240.26 6941.93 97.53 o 4 7 0 4239.56 3902.43 75.11 o 5 7 0 5125.74 5118.72 316.06 o 6 7 0 1157.65 1398.89 93.92 o 7 7 0 795.36 860.50 70.69 o 8 7 0 157.38 95.98 69.64 o 9 7 0 42.39 6.92 103.55 o 0 8 0 10100.85 10595.01 411.13 o 1 8 0 1396.30 1537.08 35.39 o 2 8 0 2802.30 3174.29 139.16 o 3 8 0 1048.36 1038.11 39.01 o 4 8 0 11334.08 10465.45 80.04 o 5 8 0 700.43 701.43 55.70 o 6 8 0 727.66 640.48 54.20 o 7 8 0 76.39 69.98 35.10 o 8 8 0 6.73 -19.03 82.30 o 9 8 0 93.09 129.26 100.84 o 1 9 0 396.93 484.36 26.02 o 2 9 0 481.21 578.00 36.18 o 3 9 0 585.06 662.81 35.74 o 4 9 0 434.20 516.07 30.81 o 5 9 0 4756.29 4603.19 68.42 o 6 9 0 1322.00 1383.53 57.64 o 7 9 0 890.81 950.30 54.15 o 8 9 0 32.40 68.46 92.19 o 9 9 0 32.43 98.61 103.80 o 0 10 0 7472.84 8513.01 103.06 o 1 10 0 6046.59 5793.09 161.81 o 2 10 0 1704.08 1624.88 42.41 o 3 10 0 1998.37 2173.23 74.52 o 4 10 0 846.96 832.70 42.87 o 5 10 0 68.26 50.20 32.25 o 6 10 0 25.81 8.30 31.06 o 7 10 0 75.55 75.31 52.38 o 8 10 0 410.83 414.96 104.05 o 1 11 0 10799.04 11235.72 273.54 o 2 11 0 931.22 980.47 37.11 o 3 11 0 1515.87 1509.87 56.58 o 4 11 0 4283.93 4351.66 141.69 o 5 11 0 2155.24 2207.65 75.62 o 6 11 0 869.53 967.86 54.88 o 7 11 0 296.55 240.63 53.49 o 8 11 0 185.05 159.09 56.53 o 0 12 0 6.51 1.38 24.49 o 1 12 0 30.13 31.72 18.57 o 2 12 0 1409.33 1439.92 82.19 o 3 12 0 2717.62 2527.83 74.23 o 4 12 0 571.38 660.87 51.90 o 5 12 0 5.37 -10.80 35.55 o 6 12 0 34.89 7.05 45.10 o 7 12 0 1876.36 1739.83 89.19 o 8 12 0 206.06 178.34 56.83 o 1 13 0 5.85 -6.60 18.82 o 2 13 0 2634.97 2393.78 77.96 o 3 13 0 3177.90 3062.86 101.27 o 4 13 0 1628.08 1513.89 52.93 o 5 13 0 0.42 27.81 36.94 o 6 13 0 475.27 503.61 62.47 o 7 13 0 5.96 -25.59 46.27 o 8 13 0 229.74 213.76 58.87 o 0 14 0 1081.67 1087.77 57.74 o 1 14 0 7029.98 7176.32 186.82 o 2 14 0 3515.23 3559.64 230.80 o 3 14 0 3784.42 3807.79 128.67 o 4 14 0 4951.62 4870.50 278.16 o 5 14 0 0.04 32.57 48.00 o 6 14 0 2218.04 2006.62 208.10 o 7 14 0 67.01 3.54 48.81 o 8 14 0 636.22 563.40 91.32 o 1 15 0 630.52 754.52 49.23 o 2 15 0 746.24 822.33 43.85 o 3 15 0 831.36 903.27 81.83 o 4 15 0 1409.66 1488.85 123.37 o 5 15 0 279.94 214.36 54.04 o 6 15 0 1136.00 999.85 158.67 o 7 15 0 90.41 134.27 52.51 o 8 15 0 99.50 131.59 58.16 o 0 16 0 22789.94 23416.47 210.21 o 1 16 0 1537.85 1596.04 51.77 o 2 16 0 5440.73 5582.65 180.89 o 3 16 0 812.77 839.08 54.97 o 4 16 0 168.67 193.67 53.27 o 5 16 0 289.54 271.60 57.58 o 6 16 0 0.10 -18.62 47.66 o 7 16 0 22.43 -29.31 77.11 o 1 17 0 378.77 434.97 35.82 o 2 17 0 237.07 222.86 31.13 o 3 17 0 199.86 221.56 33.94 o 4 17 0 2.69 -45.73 46.38 o 5 17 0 2834.73 2895.11 514.56 o 6 17 0 294.46 281.82 98.36 o 7 17 0 295.53 289.98 64.81 o 0 18 0 1758.27 1967.72 83.30 o 1 18 0 6911.27 7064.60 90.08 o 2 18 0 83.51 133.81 30.89 o 3 18 0 557.93 593.38 48.25 o 4 18 0 27.73 40.27 49.65 o 5 18 0 134.47 110.64 55.67 o 6 18 0 4.95 -6.44 55.31 o 7 18 0 55.49 71.81 60.46 o 1 19 0 650.00 735.02 44.93 o 2 19 0 972.87 986.86 52.26 o 3 19 0 644.42 548.31 47.85 o 4 19 0 603.14 850.25 148.78 o 5 19 0 1148.64 1204.83 185.11 o 6 19 0 521.52 447.26 88.85 o 7 19 0 9.40 -48.65 48.65 o 0 20 0 3646.54 3815.87 104.10 o 1 20 0 1470.96 1492.20 57.88 o 2 20 0 611.66 649.22 51.91 o 3 20 0 1597.66 1917.97 241.96 o 4 20 0 443.72 458.70 67.02 o 5 20 0 248.79 314.81 64.73 o 6 20 0 22.53 37.18 56.00 o 7 20 0 196.56 168.88 63.17 o 1 21 0 148.55 163.78 32.75 o 2 21 0 1267.85 1335.97 104.31 o 3 21 0 831.49 806.47 102.07 o 4 21 0 391.83 406.22 65.71 o 5 21 0 210.04 226.62 63.70 o 6 21 0 68.98 83.76 66.23 o 0 22 0 1351.84 1632.26 86.45 o 1 22 0 241.92 187.52 41.27 o 2 22 0 496.74 585.92 73.27 o 3 22 0 28.51 10.93 50.19 o 4 22 0 1538.37 1454.37 161.63 o 5 22 0 16.19 -7.84 53.26 o 6 22 0 381.76 400.77 90.46 o 1 23 0 182.80 203.88 41.66 o 2 23 0 739.42 736.91 71.15 o 3 23 0 1410.15 1440.80 139.51 o 4 23 0 18.20 14.11 54.51 o 5 23 0 393.50 573.43 148.78 o 6 23 0 240.12 192.85 82.05 o 0 24 0 735.90 808.66 96.39 o 1 24 0 163.50 154.54 41.73 o 2 24 0 526.20 639.61 75.67 o 3 24 0 20.29 38.76 51.79 o 4 24 0 12.54 -33.71 56.73 o 5 24 0 12.02 -21.46 57.41 o 1 25 0 245.58 278.20 58.35 o 2 25 0 5.16 -23.98 38.57 o 3 25 0 25.91 -11.73 50.90 o 4 25 0 14.03 6.75 57.96 o 5 25 0 1129.11 1300.40 188.08 o 0 26 0 257.39 263.95 86.01 o 1 26 0 1226.22 1242.35 89.08 o 2 26 0 215.36 226.24 59.89 o 3 26 0 112.72 198.70 85.39 o 4 26 0 7.01 5.64 125.55 o 1 27 0 215.87 279.14 64.91 o 2 27 0 32.77 -9.39 74.14 o 3 27 0 66.05 65.13 57.22 o 4 27 0 144.89 259.85 74.49 o 0 28 0 40.68 -75.38 75.38 o 1 28 0 205.94 209.69 59.27 o 2 28 0 216.11 337.60 98.36 o 3 28 0 154.10 184.37 93.92 o 1 29 0 3.11 -17.81 50.34 o 2 29 0 442.10 405.32 111.96 o -9 0 1 61.13 -15.08 88.48 o -7 0 1 2.38 -37.57 73.40 o -5 0 1 742.96 805.99 72.97 o -3 0 1 20804.24 21837.71 211.56 o -1 0 1 26622.96 30103.79 243.93 o 1 0 1 86880.95 82724.98 561.51 o 3 0 1 20361.89 21800.17 292.62 o 5 0 1 68.09 94.29 53.62 o 7 0 1 10.87 19.52 86.75 o 9 0 1 135.13 77.11 100.09 o -9 1 1 298.26 245.83 77.97 o -8 1 1 15.97 -58.86 58.86 o -7 1 1 536.49 632.20 99.85 o -6 1 1 2461.11 2373.47 114.15 o -5 1 1 4317.19 4355.27 80.95 o -4 1 1 4360.23 4035.26 84.47 o -3 1 1 1686.54 1776.02 53.14 o -2 1 1 1001.99 1146.28 38.07 o -1 1 1 13879.68 13597.03 292.87 o 0 1 1 386.19 358.86 16.56 o 1 1 1 12445.76 12768.94 652.22 o 2 1 1 9745.99 10664.23 149.91 o 3 1 1 122.08 255.95 51.40 o 4 1 1 6842.31 6617.08 80.40 o 5 1 1 5434.27 5593.50 89.42 o 6 1 1 1240.43 1314.24 95.84 o 7 1 1 21.53 8.82 58.10 o 8 1 1 89.61 101.23 68.40 o 9 1 1 210.61 214.05 81.73 o -9 2 1 67.58 14.14 66.10 o -8 2 1 0.37 12.16 61.82 o -7 2 1 1844.85 1978.19 85.87 o -6 2 1 70.78 21.75 38.59 o -5 2 1 207.17 311.33 39.26 o -4 2 1 1864.53 1836.22 52.36 o -3 2 1 12727.42 13506.66 534.16 o -2 2 1 24.27 51.11 20.01 o -1 2 1 7387.66 6662.46 103.06 o 0 2 1 60478.48 59239.00 445.60 o 1 2 1 8614.22 7991.09 56.88 o 2 2 1 25125.61 26273.02 1034.67 o 3 2 1 11317.70 10165.72 411.94 o 4 2 1 634.77 719.18 44.32 o 5 2 1 29.07 12.41 32.16 o 6 2 1 1865.85 2053.97 101.35 o 7 2 1 1954.37 2136.73 112.30 o 8 2 1 18.95 -12.83 64.20 o 9 2 1 17.67 -66.64 66.64 o -9 3 1 123.45 36.79 67.71 o -8 3 1 98.01 149.30 65.71 o -7 3 1 1958.19 2041.26 85.76 o -6 3 1 291.13 314.33 45.24 o -5 3 1 1901.08 1896.79 62.76 o -4 3 1 352.78 347.47 37.86 o -3 3 1 7782.22 8018.73 85.21 o -2 3 1 2852.16 2844.00 100.87 o -1 3 1 12003.05 12706.24 132.47 o 0 3 1 280.29 234.41 15.49 o 1 3 1 5538.19 5719.55 249.49 o 2 3 1 76.97 61.79 26.91 o 3 3 1 6420.27 5669.87 193.56 o 4 3 1 470.37 487.51 37.99 o 5 3 1 176.98 227.69 48.25 o 6 3 1 3.25 31.21 46.43 o 7 3 1 1195.61 1240.92 97.37 o 8 3 1 169.74 164.49 71.02 o 9 3 1 208.76 207.39 78.54 o -9 4 1 39.05 -14.86 67.47 o -8 4 1 2444.93 2447.28 114.80 o -7 4 1 74.08 51.35 48.47 o -6 4 1 109.76 118.84 39.84 o -5 4 1 22.43 30.81 35.79 o -4 4 1 6294.59 6128.57 196.40 o -3 4 1 1780.53 1801.33 69.46 o -2 4 1 2004.24 1704.83 102.41 o -1 4 1 13110.09 13770.46 191.18 o 0 4 1 2221.90 2332.04 101.45 o 1 4 1 81.53 101.96 20.02 o 2 4 1 2397.10 2290.87 55.90 o 3 4 1 614.05 560.74 34.29 o 4 4 1 9604.28 8827.87 388.80 o 5 4 1 69.37 102.26 36.64 o 6 4 1 1100.29 1165.33 74.36 o 7 4 1 305.79 356.63 68.60 o 8 4 1 1492.79 1542.06 120.36 o 9 4 1 21.41 -4.34 71.46 o -9 5 1 157.72 196.60 75.41 o -8 5 1 155.34 191.14 111.71 o -7 5 1 702.95 850.56 66.62 o -6 5 1 230.61 202.76 40.24 o -5 5 1 65.90 104.35 37.88 o -4 5 1 878.09 895.41 41.02 o -3 5 1 14623.47 14251.69 266.83 o -2 5 1 4899.79 4411.19 74.55 o -1 5 1 40418.16 43494.74 899.57 o 0 5 1 888.17 964.63 26.68 o 1 5 1 9480.81 9747.03 126.29 o 2 5 1 6284.65 6070.45 267.51 o 3 5 1 4661.90 4347.22 148.54 o 4 5 1 16.67 52.79 19.82 o 5 5 1 114.74 173.31 38.22 o 6 5 1 17.86 22.99 56.53 o 7 5 1 1892.31 1943.83 110.42 o 8 5 1 281.75 314.40 76.90 o 9 5 1 191.88 203.84 80.28 o -9 6 1 70.78 116.16 98.61 o -8 6 1 64.06 111.06 72.78 o -7 6 1 950.86 1029.67 74.27 o -6 6 1 1090.90 1031.27 53.64 o -5 6 1 855.49 882.43 48.28 o -4 6 1 1326.32 1262.54 44.81 o -3 6 1 5012.12 4820.44 376.13 o -2 6 1 1852.56 1914.06 33.27 o -1 6 1 14465.40 15476.26 205.63 o 0 6 1 16819.01 17575.71 95.50 o 1 6 1 67.16 91.02 19.60 o 2 6 1 1204.09 1351.68 45.95 o 3 6 1 12755.71 11700.71 186.51 o 4 6 1 3896.62 3580.34 148.72 o 5 6 1 246.38 275.44 56.44 o 6 6 1 423.23 447.38 68.22 o 7 6 1 899.82 971.67 86.77 o 8 6 1 42.67 23.73 69.49 o 9 6 1 24.22 -73.40 73.40 o -9 7 1 157.46 167.81 105.53 o -8 7 1 96.05 3.56 63.95 o -7 7 1 1467.56 1515.13 66.98 o -6 7 1 1961.27 1943.98 138.44 o -5 7 1 5227.28 4831.40 137.05 o -4 7 1 5346.71 4897.63 285.98 o -3 7 1 2.15 -16.09 16.09 o -2 7 1 272.09 316.17 25.02 o -1 7 1 2767.85 3066.89 46.77 o 0 7 1 9928.90 10413.35 137.80 o 1 7 1 10759.10 10374.72 139.59 o 2 7 1 2197.77 2248.77 48.96 o 3 7 1 343.70 416.38 44.59 o 4 7 1 6533.17 6324.29 66.85 o 5 7 1 6018.07 5745.79 163.59 o 6 7 1 3661.18 3695.33 349.83 o 7 7 1 492.45 557.66 116.53 o 8 7 1 194.98 123.26 44.28 o 9 7 1 104.93 204.88 119.37 o -9 8 1 90.53 83.78 101.82 o -8 8 1 102.45 -74.39 78.59 o -7 8 1 28.64 41.17 38.45 o -6 8 1 667.33 677.55 78.09 o -5 8 1 1415.80 1399.28 49.15 o -4 8 1 372.71 378.45 24.40 o -3 8 1 2218.68 2193.54 66.20 o -2 8 1 474.63 586.20 35.62 o -1 8 1 637.87 531.05 27.04 o 0 8 1 4723.14 4861.30 50.59 o 1 8 1 1193.53 1112.62 35.03 o 2 8 1 16.94 19.64 20.98 o 3 8 1 662.38 708.50 43.53 o 4 8 1 599.53 693.02 52.05 o 5 8 1 1413.87 1402.75 50.95 o 6 8 1 1084.90 1173.54 68.41 o 7 8 1 250.41 234.68 50.15 o 8 8 1 0.22 -0.96 44.03 o 9 8 1 189.04 196.48 109.73 o -9 9 1 41.43 13.35 90.70 o -8 9 1 60.99 76.37 87.24 o -7 9 1 23.75 78.29 50.00 o -6 9 1 1073.66 980.69 52.48 o -5 9 1 3600.37 3587.97 120.39 o -4 9 1 4086.92 3889.80 62.32 o -3 9 1 851.95 917.94 36.75 o -2 9 1 1.62 3.21 15.75 o -1 9 1 1304.64 1282.57 45.88 o 0 9 1 25.58 38.93 16.75 o 1 9 1 7855.35 8266.42 202.05 o 2 9 1 1517.46 1390.17 64.95 o 3 9 1 901.47 956.72 48.31 o 4 9 1 10024.10 9611.17 134.13 o 5 9 1 10294.07 9748.92 182.31 o 6 9 1 3184.63 3203.16 88.47 o 7 9 1 339.60 318.93 51.31 o 8 9 1 81.60 110.67 52.76 o -8 10 1 96.61 61.54 85.76 o -7 10 1 401.89 316.94 59.15 o -6 10 1 158.80 134.90 49.39 o -5 10 1 277.23 282.90 38.24 o -4 10 1 2391.90 2383.76 77.16 o -3 10 1 9095.69 8529.71 427.50 o -2 10 1 1231.51 1123.57 48.05 o -1 10 1 820.19 841.79 31.52 o 0 10 1 19314.67 19525.88 333.86 o 1 10 1 5549.54 5723.43 116.22 o 2 10 1 135.81 132.34 22.09 o 3 10 1 8810.11 8360.93 111.03 o 4 10 1 2244.51 2360.05 67.15 o 5 10 1 322.23 393.97 35.65 o 6 10 1 32.05 15.87 39.90 o 7 10 1 135.58 122.34 40.99 o 8 10 1 5.70 -44.77 44.77 o -8 11 1 139.13 169.05 91.69 o -7 11 1 468.86 397.69 60.20 o -6 11 1 77.44 122.48 48.48 o -5 11 1 1079.53 1063.31 64.12 o -4 11 1 2539.21 2476.75 109.84 o -3 11 1 961.03 909.65 50.76 o -2 11 1 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