#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016632.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_2016632_Fobs loop_ _publ_author_name '\"Ozdemir, Nam\?ik' 'Din\,cer, Muharrem' 'Dayan, Osman' '\,Cetinkaya, Bekir' _publ_section_title ; Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1\k^3^N,N',N'';3\k^3^N,N',N''-di-\m-chlorido-1:2\k^2^Cl:Cl;2:3\k^2^Cl:Cl-trichlorido-1\kCl,2\kCl,3\kCl-2-copper(I)-1,3-dicopper(II) ; _journal_coeditor_code GA3087 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m224 _journal_page_last m227 _journal_volume 64 _journal_year 2008 _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 112.774 _cell_angle_gamma 90.000 _cell_length_a 18.4646 _cell_length_b 9.0930 _cell_length_c 28.0986 _exptl_crystal_F_000 2144.00 _reflns_d_resolution_high 0.8092 _[local]_cod_data_source_file ga3087Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' namikoz9 in P 1 21/c 1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 449.35 _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 16182.46 18512.52 274.02 o 3 0 0 63464.43 68066.28 565.48 o 4 0 0 111949.13 116055.40 4176.07 o 5 0 0 11337.81 11258.56 356.72 o 6 0 0 19409.95 20288.40 685.23 o 7 0 0 36835.86 38887.25 1246.60 o 8 0 0 15.34 42.12 57.33 o 9 0 0 8050.31 7745.89 189.47 o 10 0 0 23620.28 23824.79 768.90 o 11 0 0 375.10 423.03 59.02 o 12 0 0 21326.84 21390.85 895.91 o 13 0 0 27.14 122.15 68.19 o 14 0 0 2744.97 2528.16 208.51 o 15 0 0 6760.89 6786.92 147.73 o 16 0 0 2239.85 1901.24 70.98 o 17 0 0 435.97 587.38 78.76 o 18 0 0 86.83 133.54 60.68 o 19 0 0 152.23 113.78 61.95 o 20 0 0 216.89 257.96 57.57 o 1 1 0 516.79 671.39 76.29 o 2 1 0 8319.08 8453.57 168.47 o 3 1 0 3200.49 3407.55 74.30 o 4 1 0 71809.57 74517.14 1632.77 o 5 1 0 23403.90 26361.63 608.16 o 6 1 0 3745.96 3826.45 65.39 o 7 1 0 3926.40 3846.11 54.31 o 8 1 0 1241.53 1215.37 42.61 o 9 1 0 324.96 296.27 40.71 o 10 1 0 137.64 105.64 50.90 o 11 1 0 1514.00 1600.10 60.31 o 12 1 0 3136.06 3015.46 61.07 o 13 1 0 1708.06 1677.14 43.76 o 14 1 0 8024.80 7978.92 190.60 o 15 1 0 18.39 12.29 40.92 o 16 1 0 183.24 185.48 43.60 o 17 1 0 277.72 397.39 42.10 o 18 1 0 6.87 -0.79 42.33 o 19 1 0 89.93 68.77 46.26 o 20 1 0 36.35 55.31 44.55 o 0 2 0 1709.77 1789.14 118.68 o 1 2 0 611.33 616.37 76.52 o 2 2 0 222.42 217.16 71.15 o 3 2 0 14962.11 14465.59 293.80 o 4 2 0 365.89 315.73 55.11 o 5 2 0 1153.58 1238.14 59.73 o 6 2 0 22445.02 23006.94 400.98 o 7 2 0 28978.95 27903.98 614.96 o 8 2 0 14384.79 14829.39 275.11 o 9 2 0 3397.42 3434.44 81.68 o 10 2 0 71.53 116.22 41.02 o 11 2 0 4574.49 4578.06 82.68 o 12 2 0 11027.83 11011.06 172.11 o 13 2 0 72.54 0.46 40.11 o 14 2 0 1010.64 999.70 50.18 o 15 2 0 221.30 209.37 41.53 o 16 2 0 1464.89 1531.71 63.34 o 17 2 0 66.24 101.59 44.49 o 18 2 0 6.60 90.54 40.07 o 19 2 0 1496.21 1438.18 52.21 o 20 2 0 39.29 17.45 45.14 o 1 3 0 9985.35 10222.87 97.60 o 2 3 0 15878.03 16207.88 273.61 o 3 3 0 40972.59 40959.35 403.04 o 4 3 0 2500.40 2507.52 55.85 o 5 3 0 1524.54 1823.14 54.97 o 6 3 0 563.16 626.98 46.59 o 7 3 0 11925.34 10626.09 191.49 o 8 3 0 28491.67 28327.90 471.27 o 9 3 0 6903.76 6342.40 120.14 o 10 3 0 488.04 525.53 45.20 o 11 3 0 375.01 394.81 41.32 o 12 3 0 14.34 47.13 41.44 o 13 3 0 98.47 113.38 41.71 o 14 3 0 41.07 81.84 50.97 o 15 3 0 3150.11 3101.27 48.10 o 16 3 0 377.44 426.77 46.25 o 17 3 0 283.09 364.29 39.76 o 18 3 0 301.62 392.03 46.86 o 19 3 0 0.04 20.01 48.34 o 20 3 0 173.07 194.89 46.28 o 0 4 0 39596.14 39865.85 216.91 o 1 4 0 211.53 249.56 59.86 o 2 4 0 4866.82 5062.22 91.86 o 3 4 0 4120.09 4448.20 85.44 o 4 4 0 12380.79 12410.25 335.20 o 5 4 0 2868.65 2875.30 132.85 o 6 4 0 10021.50 10004.69 368.97 o 7 4 0 1398.23 1514.81 52.78 o 8 4 0 46.29 117.82 46.06 o 9 4 0 11877.59 11164.63 211.44 o 10 4 0 3577.82 3604.98 49.79 o 11 4 0 859.18 835.43 48.32 o 12 4 0 99.80 115.19 44.53 o 13 4 0 4.07 57.86 45.36 o 14 4 0 1341.40 1271.01 44.11 o 15 4 0 3466.33 3477.25 88.91 o 16 4 0 140.03 158.82 48.10 o 17 4 0 11.31 51.49 53.21 o 18 4 0 138.98 170.82 43.80 o 19 4 0 555.11 578.41 53.32 o 1 5 0 99.45 73.96 55.46 o 2 5 0 9872.11 10048.02 237.16 o 3 5 0 10264.93 10912.69 236.79 o 4 5 0 12794.38 12738.45 205.33 o 5 5 0 1538.43 1388.66 60.01 o 6 5 0 1962.42 1916.88 76.76 o 7 5 0 622.92 533.36 52.88 o 8 5 0 668.54 631.11 59.77 o 9 5 0 3007.47 3104.91 71.18 o 10 5 0 1.93 -19.02 44.38 o 11 5 0 294.77 359.81 48.57 o 12 5 0 165.96 75.67 48.75 o 13 5 0 5438.67 5159.72 80.15 o 14 5 0 734.15 799.54 51.37 o 15 5 0 1508.72 1471.26 54.53 o 16 5 0 26.33 -2.33 45.21 o 17 5 0 48.43 23.14 57.75 o 18 5 0 712.04 677.32 56.70 o 0 6 0 4750.44 4451.39 96.36 o 1 6 0 8843.48 8434.37 102.90 o 2 6 0 2113.67 2061.23 59.93 o 3 6 0 6379.89 6272.64 127.93 o 4 6 0 2786.19 2817.79 59.47 o 5 6 0 3774.03 4019.81 143.69 o 6 6 0 3008.08 3056.37 121.13 o 7 6 0 1373.14 1375.76 60.37 o 8 6 0 211.69 338.00 96.68 o 9 6 0 21.17 39.68 46.54 o 10 6 0 7.52 39.78 50.45 o 11 6 0 2844.17 2762.35 128.32 o 12 6 0 68.21 111.66 57.67 o 13 6 0 448.20 521.21 52.94 o 14 6 0 156.97 146.85 86.48 o 15 6 0 126.32 233.42 59.93 o 16 6 0 510.79 560.16 63.05 o 17 6 0 1.77 58.78 59.20 o 1 7 0 6374.72 6489.48 111.52 o 2 7 0 557.42 582.79 53.11 o 3 7 0 1762.96 1716.16 58.77 o 4 7 0 779.81 816.34 55.54 o 5 7 0 63.30 143.26 66.66 o 6 7 0 24979.29 25559.94 951.70 o 7 7 0 5899.64 6285.94 93.94 o 8 7 0 1640.73 1588.39 60.98 o 9 7 0 845.73 763.66 58.20 o 10 7 0 1491.46 1532.03 60.44 o 11 7 0 66.97 127.16 52.49 o 12 7 0 259.02 179.23 58.58 o 13 7 0 135.57 215.82 53.55 o 14 7 0 0.82 34.13 52.65 o 15 7 0 118.24 28.80 79.05 o 16 7 0 1657.43 1501.93 62.00 o 0 8 0 87.86 65.11 74.84 o 1 8 0 94.07 80.85 52.06 o 2 8 0 730.94 803.64 50.46 o 3 8 0 114.86 134.97 49.33 o 4 8 0 1689.52 1608.34 52.46 o 5 8 0 798.06 808.99 137.75 o 6 8 0 1035.62 1169.77 69.08 o 7 8 0 276.71 221.70 66.73 o 8 8 0 1650.94 1797.22 70.46 o 9 8 0 723.07 655.38 49.98 o 10 8 0 457.94 468.58 52.82 o 11 8 0 815.24 968.72 70.38 o 12 8 0 286.64 356.84 61.58 o 13 8 0 94.11 80.08 67.14 o 14 8 0 0.09 71.36 63.09 o 1 9 0 69.43 107.94 46.91 o 2 9 0 3922.69 3892.00 128.86 o 3 9 0 128.88 136.65 57.64 o 4 9 0 59.35 30.86 58.20 o 5 9 0 505.04 533.42 69.02 o 6 9 0 515.40 537.54 70.23 o 7 9 0 568.15 612.24 61.55 o 8 9 0 1093.40 1016.55 67.17 o 9 9 0 53.06 63.73 53.89 o 10 9 0 28.78 117.00 61.17 o 11 9 0 168.76 213.39 53.64 o 12 9 0 0.72 30.08 65.03 o 0 10 0 90.80 70.86 69.53 o 1 10 0 2618.67 2439.86 76.63 o 2 10 0 556.15 502.98 46.37 o 3 10 0 3.78 -24.18 49.63 o 4 10 0 691.85 642.62 72.62 o 5 10 0 40.50 -6.48 61.71 o 6 10 0 306.09 253.93 72.92 o 7 10 0 1.38 35.18 63.38 o 8 10 0 689.67 609.61 65.34 o 9 10 0 758.75 746.54 66.34 o 1 11 0 283.18 283.12 48.41 o 2 11 0 21.93 38.91 49.73 o 3 11 0 20.29 24.00 59.13 o -21 1 1 22.75 75.83 41.22 o -20 1 1 99.31 140.51 47.56 o -19 1 1 1071.07 1102.94 62.17 o -18 1 1 349.80 314.55 49.18 o -17 1 1 1264.62 1219.43 43.06 o -16 1 1 71.13 103.30 45.17 o -15 1 1 20.41 59.75 40.87 o -14 1 1 4144.96 4211.41 55.89 o -13 1 1 1333.76 1359.08 49.03 o -12 1 1 1084.33 1075.61 44.36 o -11 1 1 4694.27 4726.32 75.55 o -10 1 1 27624.18 27325.84 495.19 o -9 1 1 778.10 836.72 45.60 o -8 1 1 1567.35 1393.55 44.80 o -7 1 1 10923.80 10533.59 221.90 o -6 1 1 8762.92 9576.63 214.15 o -5 1 1 114.20 83.67 51.12 o -4 1 1 2968.23 3162.65 68.92 o -3 1 1 23130.83 24622.46 496.57 o -2 1 1 1203.90 1392.35 72.37 o -1 1 1 53082.66 58897.83 1797.53 o 0 1 1 21928.32 24252.63 489.74 o 1 1 1 156.96 183.47 66.58 o 2 1 1 83491.93 88888.82 1681.51 o 3 1 1 20390.22 21535.13 428.42 o 4 1 1 4739.27 4933.48 96.60 o 5 1 1 1001.93 1333.36 53.89 o 6 1 1 11498.58 12100.18 204.14 o 7 1 1 32143.33 33011.20 366.82 o 8 1 1 13045.00 13473.83 147.03 o 9 1 1 10143.41 10345.38 172.89 o 10 1 1 4380.99 4500.78 50.09 o 11 1 1 4971.42 4808.31 94.19 o 12 1 1 695.18 675.76 54.77 o 13 1 1 8.63 40.73 41.88 o 14 1 1 15143.81 14681.89 305.68 o 15 1 1 6.34 66.48 40.51 o 16 1 1 190.34 265.04 43.61 o 17 1 1 59.92 83.65 40.99 o 18 1 1 206.27 170.75 46.24 o 19 1 1 483.67 427.42 44.03 o 20 1 1 1.04 3.60 45.01 o -20 2 1 28.49 -12.43 47.59 o -19 2 1 914.28 857.45 51.73 o -18 2 1 113.11 115.00 42.92 o -17 2 1 203.57 196.66 44.79 o -16 2 1 314.05 360.10 40.83 o -15 2 1 1521.05 1465.39 60.92 o -14 2 1 2965.18 2937.29 65.73 o -13 2 1 1207.24 1135.02 44.49 o -12 2 1 3.74 29.67 40.68 o -11 2 1 450.75 467.02 48.24 o -10 2 1 1260.54 1158.43 50.68 o -9 2 1 3150.92 2914.73 51.12 o -8 2 1 132.08 92.00 48.42 o -7 2 1 6236.95 6184.93 99.67 o -6 2 1 9032.21 9915.50 186.14 o -5 2 1 1489.21 1774.06 56.12 o -4 2 1 4587.97 5229.93 85.13 o -3 2 1 4777.34 5159.54 80.98 o -2 2 1 21461.60 22507.12 335.23 o -1 2 1 374.48 477.03 81.82 o 0 2 1 23666.65 25857.11 174.12 o 1 2 1 2.93 61.80 78.37 o 2 2 1 14120.80 14890.30 374.55 o 3 2 1 7530.75 8057.71 175.50 o 4 2 1 962.38 986.57 57.65 o 5 2 1 12838.18 13506.96 308.16 o 6 2 1 80.36 78.13 49.82 o 7 2 1 249.51 395.43 46.43 o 8 2 1 6.93 53.61 44.85 o 9 2 1 4624.79 5182.97 75.47 o 10 2 1 7811.35 7861.42 108.58 o 11 2 1 3356.52 3222.53 56.94 o 12 2 1 1172.02 1247.93 42.50 o 13 2 1 516.65 392.82 42.99 o 14 2 1 2615.69 2688.79 66.14 o 15 2 1 69.06 55.06 43.21 o 16 2 1 6.87 -7.31 42.06 o 17 2 1 134.69 175.30 48.73 o 18 2 1 336.59 408.49 46.69 o 19 2 1 7.02 14.85 41.06 o 20 2 1 99.04 132.50 49.31 o -20 3 1 323.00 306.49 46.36 o -19 3 1 459.77 471.21 47.92 o -18 3 1 0.60 16.98 40.32 o -17 3 1 1692.34 1602.16 92.34 o -16 3 1 161.28 230.42 47.03 o -15 3 1 14.04 76.21 42.76 o -14 3 1 14.37 9.05 43.24 o -13 3 1 1108.61 1102.70 40.81 o -12 3 1 791.73 862.31 45.55 o -11 3 1 140.55 181.56 43.79 o -10 3 1 5877.70 5846.49 87.07 o -9 3 1 2590.08 2882.15 60.86 o -8 3 1 453.23 435.19 46.74 o -7 3 1 4937.29 4534.09 70.54 o -6 3 1 13952.34 13857.46 252.32 o -5 3 1 20132.55 19834.77 305.49 o -4 3 1 159.25 226.32 49.42 o -3 3 1 829.28 1063.70 60.88 o -2 3 1 125.43 47.79 69.04 o -1 3 1 5585.98 5441.03 86.54 o 0 3 1 10601.30 11186.76 103.75 o 1 3 1 2390.75 2545.82 70.89 o 2 3 1 13690.36 13274.31 232.55 o 3 3 1 2525.29 2766.82 73.92 o 4 3 1 1640.21 1552.59 48.46 o 5 3 1 2138.45 1794.21 56.16 o 6 3 1 15079.07 15422.72 291.41 o 7 3 1 11057.44 11188.15 251.30 o 8 3 1 2463.40 2559.28 52.84 o 9 3 1 3656.91 3590.23 66.81 o 10 3 1 3263.40 3221.81 69.82 o 11 3 1 9380.32 9279.63 187.19 o 12 3 1 81.51 71.28 42.59 o 13 3 1 29.56 57.85 47.57 o 14 3 1 1023.52 1175.25 52.44 o 15 3 1 574.80 565.65 51.25 o 16 3 1 118.00 100.01 46.29 o 17 3 1 716.42 799.96 47.35 o 18 3 1 178.66 195.20 51.00 o 19 3 1 19.67 36.82 47.61 o -19 4 1 150.78 126.89 45.06 o -18 4 1 248.30 269.97 51.01 o -17 4 1 160.28 226.13 46.75 o -16 4 1 352.21 353.05 50.13 o -15 4 1 770.61 834.29 64.24 o -14 4 1 1546.51 1671.95 71.99 o -13 4 1 2535.01 2478.02 52.97 o -12 4 1 12.39 80.96 49.72 o -11 4 1 8572.04 8731.09 192.52 o -10 4 1 841.14 816.98 43.50 o -9 4 1 304.67 244.20 46.19 o -8 4 1 1061.53 1053.86 46.04 o -7 4 1 2282.32 2154.20 52.33 o -6 4 1 4918.73 5155.66 110.52 o -5 4 1 2.27 20.04 52.18 o -4 4 1 10995.38 11241.77 121.78 o -3 4 1 3037.36 3214.47 59.69 o -2 4 1 43.59 48.35 65.66 o -1 4 1 13963.91 14210.21 135.07 o 0 4 1 162.08 240.02 62.80 o 1 4 1 4615.60 4274.98 117.73 o 2 4 1 3837.92 3941.46 62.99 o 3 4 1 59.92 86.20 52.49 o 4 4 1 848.69 998.33 54.99 o 5 4 1 2650.03 2538.75 56.56 o 6 4 1 40.57 79.03 46.88 o 7 4 1 3849.65 3835.85 77.27 o 8 4 1 1554.55 1610.96 47.72 o 9 4 1 448.83 518.76 48.77 o 10 4 1 2194.90 2261.21 44.84 o 11 4 1 9819.63 9832.85 209.30 o 12 4 1 249.13 275.16 45.72 o 13 4 1 17.03 2.24 44.84 o 14 4 1 468.72 524.81 46.35 o 15 4 1 181.06 182.87 44.85 o 16 4 1 206.03 244.28 50.33 o 17 4 1 761.12 725.41 49.91 o 18 4 1 194.08 196.43 50.21 o 19 4 1 122.77 74.86 53.76 o -19 5 1 153.40 199.90 161.47 o -18 5 1 136.20 81.44 56.05 o -17 5 1 254.53 232.07 47.95 o -16 5 1 465.18 495.16 47.83 o -15 5 1 140.59 118.28 48.26 o -14 5 1 81.54 63.83 46.38 o -13 5 1 2401.52 2474.74 48.10 o -12 5 1 77.57 147.49 50.47 o -11 5 1 1140.10 1171.38 60.12 o -10 5 1 5.39 82.08 53.28 o -9 5 1 266.06 309.54 54.27 o -8 5 1 1241.43 1321.80 119.72 o -7 5 1 1519.98 1400.90 59.72 o -6 5 1 555.47 542.85 66.16 o -5 5 1 109.25 88.93 48.24 o -4 5 1 546.41 462.73 47.48 o -3 5 1 8096.92 8290.64 173.34 o -2 5 1 2400.78 2169.30 74.35 o -1 5 1 3507.75 3496.76 65.87 o 0 5 1 932.10 963.80 60.12 o 1 5 1 8800.64 9137.42 120.83 o 2 5 1 179.35 238.97 50.95 o 3 5 1 12862.11 13291.69 273.90 o 4 5 1 1693.57 1714.84 76.23 o 5 5 1 4751.12 4555.53 185.59 o 6 5 1 150.10 166.70 94.03 o 7 5 1 112.89 162.27 51.47 o 8 5 1 2608.67 2458.23 66.07 o 9 5 1 619.96 593.53 54.22 o 10 5 1 2058.38 2049.50 52.42 o 11 5 1 782.36 729.57 51.26 o 12 5 1 432.00 472.98 41.92 o 13 5 1 1969.02 1965.27 51.21 o 14 5 1 121.71 129.16 44.87 o 15 5 1 430.91 483.00 46.84 o 16 5 1 404.43 472.24 53.86 o 17 5 1 567.58 514.97 58.62 o 18 5 1 441.74 425.06 53.74 o -17 6 1 212.56 185.19 66.47 o -16 6 1 803.95 798.37 58.77 o -15 6 1 61.20 88.85 50.49 o -14 6 1 226.45 189.05 61.24 o -13 6 1 409.08 330.26 60.17 o -12 6 1 38.12 38.04 78.59 o -11 6 1 320.50 299.05 51.43 o -10 6 1 102.10 113.28 63.82 o -9 6 1 1951.16 2172.75 70.11 o -8 6 1 953.79 1042.84 68.68 o -7 6 1 4400.10 4572.60 131.04 o -6 6 1 28.05 96.73 57.28 o -5 6 1 3241.25 3319.08 66.62 o -4 6 1 10005.50 10190.31 167.86 o -3 6 1 494.48 476.57 45.04 o -2 6 1 2438.63 2297.66 68.45 o -1 6 1 572.29 536.35 57.10 o 0 6 1 10.22 14.66 55.71 o 1 6 1 2380.09 2276.31 56.28 o 2 6 1 35.54 44.53 59.15 o 3 6 1 2572.90 2419.56 53.48 o 4 6 1 2.82 72.74 50.09 o 5 6 1 5899.44 5941.63 232.56 o 6 6 1 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