#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218233.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_2218233_Fobs loop_ _publ_author_name 'Ali, Hapipah M.' 'Mohamed Mustafa, Mohamed Ibrahim' 'Rizal, Mohd. Razali' 'Ng, Seik Weng' _publ_section_title ; Dichloridobis(2-{1-[2-(1H-indol-3-yl)ethyliminio]ethyl}phenolate-\kO)zinc(II)--2-{1-[2-(1H-indol-3-yl)ethyliminio]ethyl}phenolate (1/2) ; _journal_coeditor_code SG2225 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m718 _journal_page_last m719 _journal_volume 64 _journal_year 2008 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 112.566 _cell_angle_gamma 90.000 _cell_length_a 25.8073 _cell_length_b 9.1754 _cell_length_c 14.3265 _exptl_crystal_F_000 1312.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file sg2225Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2: 3369 Friedel pairs' _shelx_refln_list_code 4 _shelx_F_calc_maximum 321.93 _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, -z' 'x+1/2, y+1/2, z' '-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 1 -11 0 117.94 105.81 30.90 o 3 -11 0 18.21 13.76 23.93 o 5 -11 0 516.37 461.70 48.35 o 7 -11 0 211.35 253.20 40.40 o 9 -11 0 205.23 204.92 59.19 o 11 -11 0 24.70 4.39 29.23 o 0 -10 0 344.49 486.21 62.14 o 2 -10 0 48.09 43.38 28.56 o 4 -10 0 489.07 506.98 46.22 o 6 -10 0 197.73 195.57 28.77 o 8 -10 0 337.54 397.59 36.74 o 10 -10 0 349.79 402.40 38.47 o 12 -10 0 149.21 180.08 26.23 o 14 -10 0 67.30 94.65 91.19 o 16 -10 0 14.45 3.05 31.11 o 1 -9 0 115.95 144.84 28.54 o 3 -9 0 143.07 118.68 22.53 o 5 -9 0 169.03 203.81 26.95 o 7 -9 0 336.32 323.92 32.04 o 9 -9 0 543.33 594.16 38.25 o 11 -9 0 268.94 281.50 142.23 o 13 -9 0 204.74 240.96 32.12 o 15 -9 0 194.91 256.94 33.49 o 17 -9 0 118.37 120.96 39.19 o 19 -9 0 156.89 117.05 40.64 o 0 -8 0 2112.38 2145.75 137.53 o 2 -8 0 2915.71 2862.86 72.71 o 4 -8 0 1480.21 1608.80 54.17 o 6 -8 0 572.94 598.54 36.15 o 8 -8 0 482.06 501.67 46.61 o 10 -8 0 734.38 715.42 44.21 o 12 -8 0 357.45 359.90 29.56 o 14 -8 0 1165.50 1181.61 48.03 o 16 -8 0 264.77 269.90 32.82 o 18 -8 0 9.32 -14.65 18.49 o 20 -8 0 46.54 89.34 46.61 o 22 -8 0 45.72 36.20 32.53 o 1 -7 0 2608.13 2585.97 54.80 o 3 -7 0 2118.59 2141.99 51.62 o 5 -7 0 1167.80 1060.35 47.36 o 7 -7 0 168.54 111.10 26.49 o 9 -7 0 567.65 598.68 38.43 o 11 -7 0 880.97 883.69 38.48 o 13 -7 0 1095.71 1023.92 42.23 o 15 -7 0 1214.83 1197.48 57.26 o 17 -7 0 133.54 94.85 26.07 o 19 -7 0 2.74 27.66 27.73 o 21 -7 0 56.90 40.17 22.68 o 23 -7 0 4.29 23.95 31.65 o 25 -7 0 167.22 156.14 44.88 o 0 -6 0 4402.70 4268.00 154.51 o 2 -6 0 221.23 181.20 13.20 o 4 -6 0 1138.89 1037.61 31.29 o 6 -6 0 1020.48 924.11 46.31 o 8 -6 0 1232.29 1332.63 38.35 o 10 -6 0 1147.23 1251.71 53.17 o 12 -6 0 290.45 231.95 30.76 o 14 -6 0 58.23 84.66 23.11 o 16 -6 0 486.16 486.76 34.93 o 18 -6 0 148.11 133.47 26.56 o 20 -6 0 359.21 368.73 35.46 o 22 -6 0 116.90 92.50 25.66 o 24 -6 0 141.61 171.36 31.12 o 26 -6 0 84.02 86.08 68.16 o 1 -5 0 986.98 1201.09 25.84 o 3 -5 0 750.09 712.17 22.33 o 5 -5 0 4433.60 4378.76 64.93 o 7 -5 0 3154.50 3092.97 52.39 o 9 -5 0 1477.19 1576.14 40.61 o 11 -5 0 858.02 863.68 29.70 o 13 -5 0 1391.70 1419.86 39.58 o 15 -5 0 1994.59 1935.06 56.30 o 17 -5 0 2131.56 1961.98 48.13 o 19 -5 0 421.78 408.27 25.26 o 21 -5 0 1026.51 1047.73 52.35 o 23 -5 0 100.66 124.03 26.41 o 25 -5 0 73.89 90.17 25.76 o 27 -5 0 84.48 115.19 38.95 o 0 -4 0 1820.46 1910.71 43.75 o 2 -4 0 2060.82 2107.82 36.46 o 4 -4 0 4566.74 4757.59 65.24 o 6 -4 0 2697.59 2440.14 37.78 o 8 -4 0 964.25 995.47 21.68 o 10 -4 0 1274.66 1440.82 34.68 o 12 -4 0 613.19 659.85 25.62 o 14 -4 0 718.94 695.53 27.49 o 16 -4 0 813.44 850.02 27.89 o 18 -4 0 380.99 427.01 28.29 o 20 -4 0 628.79 653.58 32.19 o 22 -4 0 319.06 316.02 38.46 o 24 -4 0 170.64 135.65 27.42 o 26 -4 0 34.49 46.72 31.13 o 28 -4 0 12.07 -3.43 21.16 o 1 -3 0 2223.24 2192.40 34.44 o 3 -3 0 1204.60 1391.85 25.49 o 5 -3 0 10693.21 11230.06 120.34 o 7 -3 0 4541.25 4620.00 57.13 o 9 -3 0 7053.82 7038.13 93.47 o 11 -3 0 130.53 106.90 11.84 o 13 -3 0 1742.83 1699.35 34.34 o 15 -3 0 224.75 219.76 20.88 o 17 -3 0 2322.22 2395.64 42.89 o 19 -3 0 2070.14 1873.28 45.55 o 21 -3 0 1505.96 1486.18 45.72 o 23 -3 0 201.05 151.30 26.64 o 25 -3 0 135.43 135.83 26.40 o 27 -3 0 89.02 109.91 25.54 o 29 -3 0 106.20 125.40 31.35 o 0 -2 0 14596.12 14831.76 241.38 o 2 -2 0 20843.96 21179.95 226.26 o 4 -2 0 19127.89 18727.93 187.80 o 6 -2 0 6526.41 6742.03 94.23 o 8 -2 0 3736.67 3794.51 48.23 o 10 -2 0 700.18 724.55 16.46 o 12 -2 0 1438.21 1378.67 24.84 o 14 -2 0 2885.09 2847.67 43.56 o 16 -2 0 388.81 377.18 16.51 o 18 -2 0 74.86 95.59 11.81 o 20 -2 0 219.77 247.71 19.82 o 22 -2 0 836.84 785.81 34.39 o 24 -2 0 166.94 136.98 25.38 o 26 -2 0 381.64 335.00 35.53 o 28 -2 0 68.97 16.41 23.26 o 30 -2 0 35.72 12.33 24.42 o 1 -1 0 3635.19 3365.55 34.07 o 3 -1 0 19998.82 20028.55 197.17 o 5 -1 0 25315.27 26084.61 233.94 o 7 -1 0 11661.17 11743.01 110.46 o 9 -1 0 337.38 369.69 11.71 o 11 -1 0 4557.65 4465.12 55.55 o 13 -1 0 5157.83 4929.62 62.25 o 15 -1 0 5585.03 5647.09 84.01 o 17 -1 0 1476.91 1482.61 32.17 o 19 -1 0 1431.67 1396.30 33.55 o 21 -1 0 243.00 227.80 16.89 o 23 -1 0 217.30 240.17 29.03 o 25 -1 0 274.27 311.88 33.16 o 27 -1 0 488.66 492.99 41.24 o 29 -1 0 25.84 20.30 22.31 o 2 0 0 11381.29 11506.22 154.19 o 4 0 0 2574.04 2878.91 32.33 o 6 0 0 3924.13 3979.74 39.18 o 8 0 0 4.67 5.26 5.19 o 10 0 0 8414.66 8983.59 88.22 o 12 0 0 15655.16 16055.43 150.67 o 14 0 0 4579.88 4199.56 49.89 o 16 0 0 717.00 750.77 20.84 o 18 0 0 781.41 810.58 26.21 o 20 0 0 1647.74 1640.14 37.04 o 22 0 0 47.09 9.20 10.28 o 24 0 0 64.39 93.36 22.45 o 26 0 0 343.91 392.22 36.55 o 28 0 0 352.75 362.31 49.19 o 30 0 0 11.60 21.10 25.00 o 1 1 0 2917.93 2624.34 22.47 o 3 1 0 20818.44 20813.38 139.87 o 5 1 0 24883.47 25566.12 197.17 o 7 1 0 10779.54 10999.03 92.16 o 9 1 0 223.03 251.07 8.43 o 11 1 0 4009.14 3848.80 40.80 o 13 1 0 5777.21 5691.11 57.13 o 15 1 0 5506.52 5590.02 58.41 o 17 1 0 1363.40 1334.91 30.47 o 19 1 0 1295.82 1300.12 26.60 o 21 1 0 254.69 296.91 19.15 o 23 1 0 199.91 234.83 18.99 o 25 1 0 352.42 423.39 36.18 o 27 1 0 509.70 475.05 49.16 o 29 1 0 35.98 0.07 38.02 o 0 2 0 13782.33 14056.66 127.50 o 2 2 0 22368.73 23187.22 145.11 o 4 2 0 17669.89 17497.28 124.93 o 6 2 0 6453.50 6767.51 55.46 o 8 2 0 3445.09 3547.02 35.88 o 10 2 0 597.66 553.29 16.34 o 12 2 0 1779.18 1799.22 26.24 o 14 2 0 3163.22 3183.49 39.12 o 16 2 0 426.13 419.14 24.72 o 18 2 0 121.67 121.41 11.56 o 20 2 0 294.58 332.65 16.39 o 22 2 0 769.88 715.49 27.62 o 24 2 0 171.46 137.19 19.48 o 26 2 0 432.34 424.64 65.04 o 28 2 0 93.28 81.00 30.73 o 30 2 0 50.93 37.11 30.81 o 1 3 0 2596.73 2598.55 22.66 o 3 3 0 1150.75 1326.67 15.92 o 5 3 0 10218.64 10828.36 83.83 o 7 3 0 4296.89 4353.45 38.56 o 9 3 0 6763.49 6684.74 64.53 o 11 3 0 241.55 223.28 12.69 o 13 3 0 1961.68 1939.41 33.41 o 15 3 0 281.02 224.83 12.57 o 17 3 0 2224.78 2184.05 35.87 o 19 3 0 2035.76 1959.10 35.26 o 21 3 0 1536.41 1458.64 42.32 o 23 3 0 146.94 157.74 28.33 o 25 3 0 164.61 145.75 22.69 o 27 3 0 111.58 158.76 32.70 o 29 3 0 107.90 166.89 38.57 o 0 4 0 1786.54 1772.91 32.08 o 2 4 0 1781.10 1754.84 19.29 o 4 4 0 5038.98 5235.17 44.26 o 6 4 0 2812.17 2621.48 28.46 o 8 4 0 833.09 848.68 17.59 o 10 4 0 1109.44 1150.64 22.34 o 12 4 0 589.46 608.29 16.29 o 14 4 0 895.75 913.55 21.71 o 16 4 0 900.31 902.47 27.76 o 18 4 0 268.88 270.40 17.57 o 20 4 0 699.08 730.26 26.18 o 22 4 0 319.22 314.21 25.17 o 24 4 0 152.26 165.99 22.15 o 26 4 0 44.97 69.10 21.48 o 28 4 0 14.57 12.69 19.76 o 1 5 0 1279.66 1468.07 18.42 o 3 5 0 678.96 637.64 12.62 o 5 5 0 4498.39 4334.79 40.98 o 7 5 0 3585.94 3391.85 36.37 o 9 5 0 1659.43 1677.51 27.02 o 11 5 0 814.32 886.58 32.04 o 13 5 0 1177.25 1184.84 25.63 o 15 5 0 1924.88 1810.40 37.68 o 17 5 0 1923.27 1694.79 37.71 o 19 5 0 453.67 416.40 22.06 o 21 5 0 1058.96 998.12 35.47 o 23 5 0 73.09 93.75 26.57 o 25 5 0 51.43 50.24 20.98 o 27 5 0 71.31 69.51 23.85 o 0 6 0 4128.57 3877.26 51.01 o 2 6 0 136.66 117.73 7.60 o 4 6 0 1074.40 1047.13 20.55 o 6 6 0 1137.36 1047.97 26.88 o 8 6 0 1265.71 1227.07 24.37 o 10 6 0 1224.45 1326.85 24.05 o 12 6 0 176.36 134.38 11.87 o 14 6 0 110.18 138.79 14.11 o 16 6 0 400.45 324.66 18.36 o 18 6 0 196.52 203.68 18.13 o 20 6 0 412.73 463.88 24.59 o 22 6 0 142.95 162.40 22.57 o 24 6 0 106.60 94.10 21.09 o 26 6 0 74.66 54.78 23.59 o 1 7 0 2617.75 2403.76 30.32 o 3 7 0 2276.22 2135.65 30.77 o 5 7 0 1360.29 1290.51 36.46 o 7 7 0 255.74 242.97 13.07 o 9 7 0 584.61 586.09 18.09 o 11 7 0 776.88 750.44 22.21 o 13 7 0 1129.18 1062.68 32.46 o 15 7 0 1293.21 1215.41 32.15 o 17 7 0 142.47 117.35 15.44 o 19 7 0 6.47 -9.53 11.87 o 21 7 0 64.21 62.90 18.39 o 23 7 0 0.45 13.46 18.37 o 25 7 0 138.76 156.78 28.29 o 0 8 0 2222.33 2240.68 44.25 o 2 8 0 2875.64 2767.35 35.14 o 4 8 0 1424.46 1454.57 26.97 o 6 8 0 481.90 489.74 17.78 o 8 8 0 390.45 373.22 16.46 o 10 8 0 718.18 698.89 22.73 o 12 8 0 390.14 391.27 19.09 o 14 8 0 1146.45 1135.34 31.21 o 16 8 0 267.33 287.80 19.71 o 18 8 0 5.74 -1.70 12.37 o 20 8 0 39.13 29.74 15.33 o 22 8 0 39.27 41.30 20.28 o 1 9 0 137.22 151.22 11.64 o 3 9 0 92.46 114.12 11.79 o 5 9 0 146.82 150.49 12.60 o 7 9 0 240.67 206.79 14.49 o 9 9 0 459.94 452.93 20.73 o 11 9 0 309.55 309.41 18.53 o 13 9 0 209.40 279.72 19.89 o 15 9 0 250.56 323.99 22.37 o 17 9 0 124.75 112.58 19.69 o 19 9 0 162.71 188.55 24.27 o 0 10 0 375.96 325.08 22.54 o 2 10 0 21.11 16.08 9.87 o 4 10 0 471.93 462.67 19.65 o 6 10 0 160.44 146.99 14.96 o 8 10 0 283.81 271.94 18.01 o 10 10 0 395.34 447.73 22.60 o 12 10 0 162.67 199.31 19.18 o 14 10 0 89.70 110.37 21.19 o 16 10 0 29.45 19.27 18.80 o 1 11 0 164.61 174.67 15.59 o 3 11 0 15.43 19.46 11.57 o 5 11 0 547.76 609.39 24.95 o 7 11 0 200.07 217.11 19.66 o 9 11 0 187.43 229.66 20.85 o 11 11 0 33.52 20.13 15.03 o -11 -11 1 184.76 321.77 68.71 o -9 -11 1 378.97 538.40 77.57 o -7 -11 1 341.90 317.50 64.22 o -5 -11 1 150.59 215.75 54.49 o -3 -11 1 37.11 42.24 26.82 o -1 -11 1 134.47 136.73 33.22 o 1 -11 1 64.21 68.96 29.81 o 3 -11 1 34.66 34.35 26.07 o 5 -11 1 571.30 566.36 89.50 o 7 -11 1 311.79 345.95 57.33 o 9 -11 1 29.84 10.02 21.70 o 11 -11 1 2.29 8.48 20.03 o -16 -10 1 36.32 14.19 32.49 o -14 -10 1 154.83 180.05 42.40 o -12 -10 1 70.83 -2.21 29.49 o -10 -10 1 371.58 309.09 45.26 o -8 -10 1 482.15 537.09 49.87 o -6 -10 1 244.48 219.25 34.78 o -4 -10 1 154.49 199.50 41.68 o -2 -10 1 14.72 0.67 21.04 o 0 -10 1 393.93 327.93 38.58 o 2 -10 1 240.57 364.13 41.17 o 4 -10 1 135.09 155.99 27.84 o 6 -10 1 421.64 472.71 38.63 o 8 -10 1 104.04 166.66 45.42 o 10 -10 1 173.58 214.01 31.60 o 12 -10 1 91.02 82.36 25.58 o 14 -10 1 61.85 82.39 26.98 o 16 -10 1 85.49 36.71 32.40 o -19 -9 1 104.25 159.71 53.39 o -17 -9 1 113.95 142.24 60.07 o -15 -9 1 313.71 360.70 49.57 o -13 -9 1 457.65 435.63 38.13 o -11 -9 1 71.91 12.89 37.83 o -9 -9 1 454.06 463.22 32.17 o -7 -9 1 33.34 43.75 19.87 o -5 -9 1 264.70 342.82 30.83 o -3 -9 1 329.28 299.62 29.07 o -1 -9 1 964.62 899.61 137.75 o 1 -9 1 1282.07 1252.93 64.94 o 3 -9 1 250.48 226.08 27.31 o 5 -9 1 136.43 167.20 25.45 o 7 -9 1 465.54 484.77 44.46 o 9 -9 1 314.11 375.81 44.03 o 11 -9 1 484.40 531.24 40.44 o 13 -9 1 324.53 266.76 33.75 o 15 -9 1 113.20 63.09 26.06 o 17 -9 1 16.82 20.47 30.45 o 19 -9 1 91.32 175.01 45.55 o -22 -8 1 63.32 93.14 39.04 o -20 -8 1 15.02 -10.05 24.81 o -18 -8 1 65.41 46.70 35.50 o -16 -8 1 546.72 507.14 40.36 o -14 -8 1 1326.13 1330.01 72.96 o -12 -8 1 483.61 505.92 32.98 o -10 -8 1 16.45 9.73 18.87 o -8 -8 1 44.34 62.73 17.35 o -6 -8 1 268.33 218.95 25.49 o -4 -8 1 2291.55 2331.61 65.47 o -2 -8 1 2624.87 2563.78 57.66 o 0 -8 1 1129.08 1039.62 35.90 o 2 -8 1 1343.37 1313.86 47.83 o 4 -8 1 829.61 878.94 41.89 o 6 -8 1 688.67 653.95 37.69 o 8 -8 1 363.82 381.52 34.68 o 10 -8 1 1522.06 1490.67 60.36 o 12 -8 1 621.79 655.04 58.89 o 14 -8 1 533.02 513.62 63.61 o 16 -8 1 116.89 146.80 38.75 o 18 -8 1 2.10 9.20 21.79 o 20 -8 1 5.22 -1.99 21.32 o 22 -8 1 11.21 40.18 39.72 o -25 -7 1 106.22 89.23 40.41 o -23 -7 1 13.22 16.98 28.21 o -21 -7 1 2.01 -25.67 24.26 o -19 -7 1 46.53 47.15 20.65 o -17 -7 1 370.16 357.49 34.18 o -15 -7 1 217.22 255.21 35.20 o -13 -7 1 932.38 958.61 39.56 o -11 -7 1 1535.75 1525.30 71.31 o -9 -7 1 1572.45 1582.73 80.36 o -7 -7 1 410.58 402.25 38.11 o -5 -7 1 1162.11 1126.85 36.79 o -3 -7 1 383.34 376.99 20.73 o -1 -7 1 2947.27 2946.39 54.55 o 1 -7 1 2580.25 2548.10 49.60 o 3 -7 1 2006.62 2078.38 43.67 o 5 -7 1 513.19 600.29 110.28 o 7 -7 1 106.74 84.89 25.52 o 9 -7 1 411.52 416.75 34.06 o 11 -7 1 1263.94 1308.93 45.96 o 13 -7 1 1224.39 1279.30 47.19 o 15 -7 1 643.14 650.61 36.72 o 17 -7 1 224.16 266.25 28.65 o 19 -7 1 9.07 -12.17 18.61 o 21 -7 1 53.88 60.11 24.06 o 23 -7 1 31.18 -18.80 20.38 o -26 -6 1 49.34 100.63 39.11 o -24 -6 1 45.23 35.76 37.42 o -22 -6 1 16.04 17.74 18.98 o -20 -6 1 133.24 94.67 22.16 o -18 -6 1 150.11 218.59 48.32 o -16 -6 1 417.83 428.37 28.84 o -14 -6 1 1581.10 1655.72 49.65 o -12 -6 1 190.03 227.46 21.79 o -10 -6 1 172.48 200.96 24.72 o -8 -6 1 1036.45 977.63 34.25 o -6 -6 1 1849.49 1794.76 39.55 o -4 -6 1 1027.63 1058.32 26.87 o -2 -6 1 3787.46 3850.69 56.82 o 0 -6 1 784.33 729.52 22.23 o 2 -6 1 339.75 345.08 16.67 o 4 -6 1 499.56 473.64 21.20 o 6 -6 1 2931.26 3032.28 76.67 o 8 -6 1 1799.16 1785.15 50.45 o 10 -6 1 1773.35 1619.89 43.36 o 12 -6 1 2205.12 2110.33 56.82 o 14 -6 1 284.59 344.34 29.65 o 16 -6 1 157.32 213.54 25.01 o 18 -6 1 371.16 462.18 33.14 o 20 -6 1 222.17 238.27 31.73 o 22 -6 1 68.65 36.06 22.55 o 24 -6 1 114.98 155.23 31.25 o 26 -6 1 297.46 385.09 43.36 o -27 -5 1 63.93 40.57 32.15 o -25 -5 1 131.18 116.93 37.22 o -23 -5 1 178.26 215.47 30.34 o -21 -5 1 964.76 1026.97 44.41 o -19 -5 1 428.58 438.43 25.75 o -17 -5 1 275.01 334.34 25.56 o -15 -5 1 3100.04 3454.74 98.00 o -13 -5 1 714.43 738.92 31.84 o -11 -5 1 836.01 738.81 22.02 o -9 -5 1 1948.58 1786.27 37.59 o 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