#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216233.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_2216233_Fobs loop_ _publ_author_name 'Zhong, H.' 'Yang, X.-M.' 'Duan, S.-H.' 'Hong, Y.-P.' _publ_section_title ; catena-Poly[[tetra-\m-anilinoacetato-bis(1,10-phenanthroline)dieuropium(III)]-di-\m-anilinoacetato] ; _journal_coeditor_code AT2497 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m3142 _journal_page_last m3143 _journal_volume 63 _journal_year 2007 _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 105.816 _cell_angle_gamma 90.000 _cell_length_a 19.7826 _cell_length_b 8.8013 _cell_length_c 21.2014 _exptl_crystal_F_000 1576.00 _reflns_d_resolution_high 0.7841 _[local]_cod_data_source_file at2497Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' aa in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 383.87 _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 7721.71 7239.35 140.89 o 6 0 0 15724.87 12878.83 162.82 o 8 0 0 20240.73 19400.76 224.17 o 10 0 0 13859.91 15450.67 227.53 o 12 0 0 572.94 374.04 44.84 o 14 0 0 15199.36 15578.83 223.68 o 16 0 0 3807.14 4056.85 194.17 o 18 0 0 271.62 106.33 78.93 o 20 0 0 1091.53 1293.41 158.38 o 22 0 0 2898.77 2650.63 227.53 o 24 0 0 231.97 115.79 162.75 o 1 1 0 3149.71 3013.11 39.16 o 2 1 0 21654.94 21442.95 163.08 o 4 1 0 60013.88 65133.71 473.80 o 5 1 0 11919.21 15610.54 132.92 o 6 1 0 24669.91 27261.11 201.62 o 7 1 0 5879.55 6085.94 66.80 o 8 1 0 1522.67 1222.73 34.82 o 9 1 0 2306.68 2427.69 50.45 o 10 1 0 27185.88 29453.51 256.92 o 11 1 0 2241.02 2803.96 55.34 o 12 1 0 7898.96 7260.30 92.21 o 13 1 0 360.79 248.49 48.32 o 14 1 0 54.52 48.94 30.16 o 15 1 0 609.96 670.62 51.18 o 16 1 0 2500.34 2778.20 79.27 o 17 1 0 159.66 165.08 51.54 o 18 1 0 4481.98 4362.33 136.29 o 19 1 0 35.71 -18.87 64.17 o 20 1 0 743.28 910.46 88.07 o 21 1 0 294.22 250.81 85.94 o 22 1 0 0.18 -0.67 99.60 o 23 1 0 228.16 190.34 119.19 o 24 1 0 628.83 786.81 140.08 o 0 2 0 17399.70 15834.35 333.43 o 1 2 0 80.18 105.62 11.88 o 4 2 0 8232.58 8671.31 86.24 o 5 2 0 7267.57 6808.11 73.68 o 6 2 0 22549.58 22413.64 188.50 o 7 2 0 1.59 2.68 15.26 o 8 2 0 14538.79 15467.60 136.20 o 9 2 0 8242.08 8845.94 95.10 o 10 2 0 831.61 734.17 32.87 o 11 2 0 3963.26 3625.93 62.89 o 12 2 0 2908.55 3141.29 86.69 o 13 2 0 1357.64 1314.48 53.81 o 14 2 0 5297.14 5475.15 104.17 o 15 2 0 718.23 549.51 70.38 o 16 2 0 2531.21 2740.37 93.82 o 17 2 0 1724.72 1916.10 111.63 o 18 2 0 120.00 70.92 64.29 o 19 2 0 982.12 963.73 90.94 o 20 2 0 589.41 544.55 87.38 o 21 2 0 19.99 19.18 83.12 o 22 2 0 556.16 726.64 101.94 o 23 2 0 252.57 201.78 101.56 o 1 3 0 28407.64 27461.21 275.07 o 2 3 0 731.59 684.44 25.49 o 4 3 0 39.30 128.01 20.99 o 5 3 0 9181.47 9192.08 112.21 o 6 3 0 54.24 89.99 18.10 o 7 3 0 18993.94 18149.83 166.89 o 8 3 0 1349.62 1399.48 42.24 o 9 3 0 8208.96 8203.06 107.88 o 10 3 0 1912.87 1873.84 48.30 o 11 3 0 197.59 197.04 33.06 o 12 3 0 2362.27 2347.94 79.64 o 13 3 0 1742.98 1670.31 68.46 o 14 3 0 78.05 84.63 40.72 o 15 3 0 5879.33 5973.03 134.07 o 16 3 0 251.81 228.03 50.66 o 17 3 0 1774.70 1951.97 109.48 o 18 3 0 197.70 105.76 54.57 o 19 3 0 363.29 236.57 78.44 o 20 3 0 145.47 172.17 83.08 o 21 3 0 1014.65 1083.70 106.67 o 22 3 0 1.09 44.97 96.63 o 23 3 0 446.45 436.66 106.34 o 0 4 0 187.29 438.82 39.98 o 1 4 0 17115.14 18070.98 241.15 o 2 4 0 320.88 330.95 29.82 o 3 4 0 16903.38 14962.47 286.51 o 4 4 0 1129.50 1441.59 38.36 o 5 4 0 16793.95 17127.07 322.21 o 6 4 0 407.08 443.00 28.75 o 7 4 0 1757.32 1766.18 71.81 o 8 4 0 225.74 219.66 56.15 o 9 4 0 7385.29 7179.42 98.41 o 10 4 0 64.34 37.69 31.86 o 11 4 0 11251.19 11440.97 160.54 o 12 4 0 100.31 82.71 37.31 o 13 4 0 5471.57 5304.73 114.74 o 14 4 0 226.90 197.89 49.05 o 15 4 0 823.93 744.29 67.98 o 16 4 0 65.88 30.66 49.59 o 17 4 0 1751.85 2264.47 105.99 o 18 4 0 158.36 104.17 65.87 o 19 4 0 1614.14 1611.96 110.39 o 20 4 0 40.24 12.78 81.31 o 21 4 0 293.85 265.17 97.98 o 22 4 0 66.14 -9.55 98.65 o 1 5 0 16892.32 15319.39 187.86 o 2 5 0 238.77 142.56 33.36 o 3 5 0 1224.19 1391.39 54.28 o 4 5 0 45.47 21.51 27.53 o 5 5 0 5734.56 6173.46 86.93 o 6 5 0 302.05 335.84 32.08 o 7 5 0 10335.42 10311.03 190.08 o 8 5 0 75.53 184.85 44.99 o 9 5 0 5311.29 5188.03 128.37 o 10 5 0 2288.60 2429.83 127.37 o 11 5 0 173.02 117.17 58.96 o 12 5 0 768.50 730.50 81.30 o 13 5 0 2406.51 2427.62 99.23 o 14 5 0 264.53 107.14 60.92 o 15 5 0 4892.95 4839.61 141.66 o 16 5 0 31.88 -6.33 68.55 o 17 5 0 600.21 610.66 88.35 o 18 5 0 304.17 260.27 85.31 o 19 5 0 240.11 175.04 87.02 o 20 5 0 11.59 56.67 97.14 o 21 5 0 742.80 861.54 119.05 o 0 6 0 9219.25 9433.79 229.14 o 1 6 0 3780.60 4075.37 153.19 o 2 6 0 1437.89 1304.10 58.64 o 3 6 0 7092.09 6500.30 117.49 o 4 6 0 1082.07 905.07 49.73 o 5 6 0 6777.51 7157.19 111.81 o 6 6 0 1027.69 1180.13 87.77 o 7 6 0 13.01 6.02 44.92 o 8 6 0 982.31 993.13 67.59 o 9 6 0 2678.45 2492.11 107.76 o 10 6 0 654.02 737.84 78.42 o 11 6 0 1884.01 2053.18 138.30 o 12 6 0 46.55 33.77 74.40 o 13 6 0 1438.17 1443.61 111.59 o 14 6 0 1749.48 1589.58 97.99 o 15 6 0 337.49 144.47 79.32 o 16 6 0 136.40 172.56 79.88 o 17 6 0 1016.40 1004.73 104.96 o 18 6 0 15.57 16.15 92.29 o 19 6 0 851.75 764.42 114.10 o 20 6 0 289.23 285.91 108.65 o 1 7 0 1574.13 1363.69 110.77 o 2 7 0 3144.39 2880.26 146.39 o 3 7 0 557.75 650.33 61.77 o 4 7 0 6541.29 6770.28 174.91 o 5 7 0 247.03 280.05 73.06 o 6 7 0 1246.01 1317.21 107.61 o 7 7 0 2319.23 2243.80 163.48 o 8 7 0 499.55 454.89 116.27 o 9 7 0 393.55 421.26 82.19 o 10 7 0 3258.61 3824.65 346.79 o 11 7 0 188.58 87.30 83.69 o 12 7 0 2129.68 2146.19 187.20 o 13 7 0 578.07 526.94 153.84 o 14 7 0 43.97 29.36 101.67 o 15 7 0 701.42 713.64 134.31 o 16 7 0 20.47 25.86 120.23 o 17 7 0 2.75 33.34 129.80 o 18 7 0 1262.65 1436.16 173.63 o 3 8 0 559.56 479.34 153.19 o 4 8 0 134.68 49.72 131.33 o 5 8 0 1.29 14.25 130.20 o 6 8 0 4520.39 4733.01 269.95 o 13 8 0 193.07 157.24 197.73 o 14 8 0 2134.54 1998.66 262.50 o 15 8 0 45.26 -19.43 208.09 o 16 8 0 591.45 865.89 260.88 o 17 8 0 0.54 -19.43 211.49 o 1 9 0 260.47 330.52 156.92 o 2 9 0 3574.72 3693.20 283.72 o 3 9 0 178.69 75.95 158.54 o 4 9 0 3942.27 4205.57 291.17 o 12 9 0 1522.15 1082.57 255.86 o 13 9 0 27.14 19.59 221.05 o 14 9 0 6.85 -59.59 208.09 o 0 10 0 1888.49 1638.34 249.55 o 1 10 0 275.01 325.66 198.70 o 2 10 0 847.89 654.40 211.33 o 3 10 0 655.67 560.96 205.50 o 11 10 0 513.95 509.95 259.91 o 1 11 0 476.54 471.73 158.04 o 2 11 0 215.71 115.14 199.19 o -23 0 1 1474.63 1694.86 198.86 o -21 0 1 1758.04 1750.08 189.63 o -19 0 1 0.69 9.44 84.83 o -17 0 1 1976.13 2406.55 199.51 o -15 0 1 12164.40 11823.04 192.21 o -13 0 1 7023.09 7766.98 140.37 o -9 0 1 15872.56 13957.43 177.67 o -7 0 1 57388.20 58400.41 572.28 o -5 0 1 32347.21 37710.94 371.77 o -3 0 1 2429.74 2048.21 58.95 o 3 0 1 54143.21 67465.53 736.43 o 7 0 1 55618.05 58137.54 619.13 o 9 0 1 12069.30 12545.42 166.20 o 11 0 1 83.66 102.99 51.82 o 13 0 1 8023.23 7599.09 139.49 o 15 0 1 6379.26 6465.20 287.20 o 17 0 1 576.04 594.21 90.51 o 19 0 1 390.55 530.78 101.10 o 21 0 1 1935.58 1934.21 199.67 o 23 0 1 818.22 1083.21 200.97 o -24 1 1 81.90 134.50 124.32 o -23 1 1 169.43 143.30 114.50 o -22 1 1 463.23 549.91 112.07 o -21 1 1 444.62 547.96 87.34 o -20 1 1 144.45 111.30 72.59 o -19 1 1 3117.91 3374.64 160.58 o -18 1 1 47.03 42.03 60.89 o -17 1 1 2788.74 2839.44 91.96 o -16 1 1 505.34 610.00 51.45 o -15 1 1 151.83 134.01 34.32 o -14 1 1 1624.58 1868.48 59.60 o -13 1 1 5705.69 5221.07 80.77 o -12 1 1 72.56 58.01 21.02 o -11 1 1 19402.83 20711.03 204.89 o -10 1 1 2419.25 2708.33 51.54 o -9 1 1 7992.14 7165.44 121.61 o -8 1 1 2554.38 2292.68 41.79 o -6 1 1 439.91 423.02 24.04 o -5 1 1 16291.98 15568.48 132.08 o -4 1 1 7469.00 8721.79 89.55 o -3 1 1 19648.27 20144.05 209.45 o -2 1 1 8551.84 8901.71 69.96 o 0 1 1 11887.44 13197.12 183.03 o 1 1 1 16550.55 16554.75 197.90 o 2 1 1 24149.92 29061.90 261.87 o 3 1 1 43965.79 46887.87 341.48 o 4 1 1 12063.94 14546.88 123.11 o 5 1 1 30900.63 32320.00 231.82 o 6 1 1 8895.56 10166.11 91.40 o 8 1 1 9540.19 10536.68 100.72 o 9 1 1 21407.85 20768.21 172.59 o 10 1 1 109.39 63.55 17.85 o 11 1 1 9603.69 9152.70 151.70 o 12 1 1 149.58 53.31 21.18 o 13 1 1 1401.14 1436.24 53.94 o 14 1 1 566.41 608.83 47.44 o 15 1 1 1156.60 1145.05 55.73 o 16 1 1 126.88 110.96 47.73 o 17 1 1 3900.79 4079.07 132.56 o 18 1 1 0.10 -3.32 63.83 o 19 1 1 2036.08 2136.35 108.37 o 20 1 1 137.67 116.43 76.17 o 21 1 1 135.14 38.01 83.96 o 22 1 1 271.77 197.58 109.35 o 23 1 1 808.34 826.41 132.33 o -24 2 1 151.27 106.02 120.10 o -23 2 1 413.87 318.32 117.16 o -22 2 1 18.73 14.14 84.49 o -21 2 1 429.00 510.52 93.56 o -20 2 1 632.69 494.54 82.34 o -19 2 1 4.95 13.31 70.21 o -18 2 1 1999.33 2045.85 90.42 o -17 2 1 1209.03 1410.00 77.42 o -16 2 1 1556.49 1468.33 73.20 o -15 2 1 4691.73 4414.00 102.95 o -14 2 1 227.59 168.31 33.37 o -13 2 1 2010.25 2456.44 69.64 o -12 2 1 3502.02 3567.30 65.77 o -11 2 1 13.89 34.82 22.41 o -10 2 1 1536.67 1324.89 40.01 o -9 2 1 104.08 81.18 20.84 o -8 2 1 94.70 58.55 18.98 o -7 2 1 24041.26 25313.18 260.83 o -6 2 1 18465.04 19505.09 166.78 o -5 2 1 20.70 31.87 13.26 o -4 2 1 33729.93 33629.07 401.40 o -3 2 1 10537.93 11660.99 248.80 o -1 2 1 44436.93 47607.45 507.70 o 0 2 1 458.75 649.69 78.78 o 2 2 1 27598.63 31434.16 288.94 o 3 2 1 949.65 1238.90 40.42 o 4 2 1 6406.36 5006.53 112.29 o 5 2 1 9715.50 9718.87 95.76 o 6 2 1 166.58 137.92 20.01 o 7 2 1 28073.75 27702.97 231.89 o 8 2 1 15531.99 17294.42 175.59 o 9 2 1 1903.92 1875.03 43.44 o 10 2 1 6577.70 5939.93 104.44 o 11 2 1 243.99 186.24 26.73 o 12 2 1 4070.93 4295.50 82.54 o 13 2 1 5921.36 6182.62 106.26 o 14 2 1 3.20 -1.16 32.32 o 15 2 1 5101.90 5248.21 129.77 o 16 2 1 2531.96 2566.41 89.75 o 17 2 1 130.05 113.80 65.69 o 18 2 1 1456.41 1724.46 102.00 o 19 2 1 517.25 490.82 82.53 o 20 2 1 106.50 72.14 78.87 o 21 2 1 707.26 700.34 95.64 o 22 2 1 171.93 119.88 93.66 o 23 2 1 96.16 141.93 102.25 o -23 3 1 42.04 58.39 93.16 o -22 3 1 1188.34 1165.67 112.89 o -21 3 1 142.64 54.19 84.86 o -20 3 1 440.40 444.10 89.92 o -19 3 1 206.23 209.55 66.85 o -18 3 1 733.28 980.94 77.20 o -17 3 1 238.87 187.03 49.70 o -16 3 1 4209.20 4118.16 137.54 o -15 3 1 1.71 8.33 37.58 o -14 3 1 2320.17 2519.88 82.28 o -13 3 1 1222.93 1215.69 103.03 o -12 3 1 26.84 2.92 28.93 o -11 3 1 1440.90 1543.84 50.65 o -10 3 1 2283.41 2124.39 62.03 o -9 3 1 173.43 97.31 21.58 o -8 3 1 43972.76 46074.29 365.00 o -7 3 1 6434.65 6468.57 81.26 o -6 3 1 28447.56 30740.45 252.02 o -5 3 1 4037.01 3692.14 69.35 o -4 3 1 1396.29 1770.97 41.52 o -3 3 1 4517.79 4665.67 52.40 o -2 3 1 39532.05 42820.09 327.57 o -1 3 1 4645.83 4739.26 77.88 o 1 3 1 876.37 842.66 36.24 o 2 3 1 11744.29 13044.05 231.15 o 3 3 1 1626.09 1380.35 51.16 o 4 3 1 2980.00 2789.35 51.29 o 6 3 1 29155.61 28387.94 256.58 o 7 3 1 3170.22 3844.30 79.92 o 8 3 1 14406.74 13404.48 127.72 o 9 3 1 3924.23 3697.41 62.98 o 10 3 1 21.35 2.94 23.20 o 11 3 1 3394.67 3560.20 75.46 o 12 3 1 2129.86 1962.55 61.00 o 13 3 1 2.34 2.76 31.57 o 14 3 1 8857.43 9585.37 206.32 o 15 3 1 149.55 108.75 42.71 o 16 3 1 2072.83 1812.73 82.94 o 17 3 1 436.85 389.15 63.54 o 18 3 1 16.95 24.59 69.65 o 19 3 1 279.03 251.10 78.72 o 20 3 1 998.03 1163.38 105.10 o 21 3 1 20.64 -49.53 85.14 o 22 3 1 766.44 916.81 113.45 o 23 3 1 199.73 100.94 101.11 o -22 4 1 90.26 66.77 101.66 o -21 4 1 34.66 -2.70 87.97 o -20 4 1 1152.72 1214.93 95.35 o -19 4 1 47.29 64.83 64.11 o -18 4 1 2267.26 2618.58 106.62 o -17 4 1 351.58 164.60 57.68 o -16 4 1 959.83 960.32 72.60 o -15 4 1 42.15 31.96 47.65 o -14 4 1 2800.61 2793.53 92.87 o -13 4 1 0.29 18.78 40.53 o -12 4 1 15900.41 16285.07 228.82 o -11 4 1 778.70 1056.31 66.76 o -10 4 1 11723.63 11128.82 148.75 o -9 4 1 941.81 920.80 41.83 o -8 4 1 1448.89 1350.21 50.95 o -7 4 1 372.45 323.76 38.34 o -6 4 1 9954.81 10628.57 162.26 o -5 4 1 2.68 9.51 17.07 o -4 4 1 18291.17 15304.10 139.43 o -3 4 1 96.56 155.65 23.91 o -2 4 1 9966.70 10480.41 116.80 o -1 4 1 1041.35 1254.15 57.08 o 0 4 1 1139.63 1072.45 55.33 o 1 4 1 1409.63 1736.11 51.38 o 2 4 1 15398.51 15325.99 179.93 o 3 4 1 1247.89 1254.08 42.31 o 4 4 1 26262.24 24788.64 208.72 o 5 4 1 190.80 210.91 24.68 o 6 4 1 2636.39 2971.71 63.48 o 7 4 1 72.72 79.12 24.98 o 8 4 1 5249.08 4958.14 100.20 o 9 4 1 1196.59 1095.05 48.80 o 10 4 1 6998.91 6450.21 109.29 o 11 4 1 731.49 739.72 59.38 o 12 4 1 6109.67 6206.46 135.22 o 13 4 1 2.15 13.44 50.03 o 14 4 1 29.48 28.51 53.09 o 15 4 1 96.99 71.16 59.63 o 16 4 1 3083.44 3392.58 123.42 o 17 4 1 347.01 192.45 70.76 o 18 4 1 2107.38 2319.56 159.76 o 19 4 1 52.28 69.28 81.08 o 20 4 1 543.90 484.10 97.03 o 21 4 1 22.94 23.11 96.49 o 22 4 1 111.25 35.22 101.04 o -21 5 1 1.82 11.47 98.95 o -20 5 1 170.54 299.39 98.52 o -19 5 1 89.77 41.47 87.20 o -18 5 1 330.10 316.45 84.67 o -17 5 1 2.07 -16.84 64.63 o -16 5 1 3114.92 3058.67 120.27 o -15 5 1 301.93 234.74 66.64 o -14 5 1 3598.07 3649.21 121.75 o -13 5 1 203.16 224.71 88.64 o -12 5 1 1007.67 840.86 75.65 o -11 5 1 973.78 1143.61 80.82 o -10 5 1 1888.92 1915.76 81.98 o -9 5 1 87.56 42.99 37.96 o -8 5 1 11060.51 10657.91 149.57 o -7 5 1 1.41 13.83 26.29 o -6 5 1 5336.77 4628.25 71.73 o -5 5 1 726.71 745.39 35.33 o -4 5 1 127.24 107.89 28.72 o -3 5 1 1253.52 1390.92 48.17 o -2 5 1 14900.44 14604.58 214.72 o -1 5 1 55.15 52.71 30.86 o 0 5 1 12858.27 11465.21 210.80 o 1 5 1 205.67 308.83 36.41 o 2 5 1 7649.17 8570.26 127.88 o 3 5 1 137.18 202.03 35.83 o 4 5 1 4591.01 4679.96 83.48 o 5 5 1 213.73 282.64 31.81 o 6 5 1 10063.09 10076.21 132.24 o 7 5 1 2.97 5.05 28.19 o 8 5 1 9253.96 9482.18 130.87 o 9 5 1 862.21 894.58 72.02 o 10 5 1 5.35 1.07 46.13 o 11 5 1 757.46 691.41 65.70 o 12 5 1 858.15 738.30 69.03 o 13 5 1 6.84 10.41 58.25 o 14 5 1 6542.86 7003.54 163.17 o 15 5 1 177.09 154.86 71.42 o 16 5 1 547.82 503.02 80.34 o 17 5 1 323.92 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