#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/71/2217178.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_2217178_Fobs loop_ _publ_author_name 'Zheng, Zhi-Guo' 'Lin, Cheng-Zhi' 'Chen, Qing-Yang' _publ_section_title ; Di-\m-methacrylato-bis[diaquabis(methacrylato)europium(III)] methacrylic acid disolvate ; _journal_coeditor_code LH2579 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m178 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.830 _cell_angle_beta 85.510 _cell_angle_gamma 61.140 _cell_length_a 10.0080 _cell_length_b 10.0110 _cell_length_c 12.5230 _exptl_crystal_F_000 543.91 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file lh2579Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I in P-1 P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 221.52 _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' 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 2462.16 2921.73 29.23 o 3 0 0 780.17 671.51 9.13 o 4 0 0 6494.67 6085.14 74.98 o 5 0 0 7577.59 7699.11 103.87 o 6 0 0 4177.84 4259.41 53.27 o 7 0 0 2968.48 2962.24 39.01 o 8 0 0 1562.29 1510.94 27.62 o 9 0 0 763.76 786.27 28.19 o 10 0 0 496.00 492.18 18.03 o 11 0 0 180.82 154.86 18.13 o -10 1 0 54.13 43.42 10.25 o -9 1 0 32.16 21.54 4.48 o -8 1 0 87.64 91.18 13.82 o -7 1 0 808.86 845.93 12.37 o -6 1 0 283.39 323.63 7.96 o -5 1 0 379.03 377.45 13.17 o -4 1 0 1614.56 1731.91 30.47 o -3 1 0 1775.44 1835.96 18.73 o -2 1 0 661.74 531.22 7.07 o -1 1 0 1183.36 1350.21 38.70 o 2 1 0 9.95 40.25 4.15 o 3 1 0 264.99 162.48 2.78 o 4 1 0 321.37 379.25 4.62 o 5 1 0 559.88 550.59 8.36 o 6 1 0 493.83 497.83 8.63 o 7 1 0 90.41 112.79 4.79 o 8 1 0 72.87 90.67 15.64 o 9 1 0 237.29 263.67 8.13 o 10 1 0 5.28 4.70 3.57 o 11 1 0 0.75 5.26 5.15 o -10 2 0 200.73 218.99 14.71 o -9 2 0 408.43 420.82 15.31 o -8 2 0 428.79 420.65 13.86 o -7 2 0 745.17 773.37 26.80 o -6 2 0 798.01 842.28 14.21 o -5 2 0 3426.79 3446.22 45.87 o -4 2 0 3373.93 3369.84 51.00 o -3 2 0 5326.65 5102.73 57.78 o -2 2 0 2144.67 2280.97 29.26 o -1 2 0 8713.68 9178.15 184.97 o 0 2 0 49070.86 50252.93 1873.59 o 1 2 0 8442.56 10013.68 108.12 o 2 2 0 452.05 505.82 6.45 o 3 2 0 3882.88 3686.88 34.92 o 4 2 0 13860.54 14040.56 349.51 o 5 2 0 8023.34 9079.79 142.80 o 6 2 0 1142.08 1138.93 13.38 o 7 2 0 1025.88 1010.44 20.51 o 8 2 0 921.59 855.45 13.21 o 9 2 0 976.72 1024.46 38.94 o 10 2 0 1091.79 1067.68 44.60 o 11 2 0 526.93 502.77 27.30 o -9 3 0 179.53 196.47 18.79 o -8 3 0 353.51 355.86 24.51 o -7 3 0 1152.05 1229.39 28.28 o -6 3 0 870.04 885.04 42.48 o -5 3 0 707.55 735.93 13.17 o -4 3 0 1229.11 1279.99 18.91 o -3 3 0 2614.91 2678.22 35.41 o -2 3 0 5100.67 5185.96 61.00 o -1 3 0 8314.49 8581.62 198.94 o 0 3 0 19293.24 20650.78 506.86 o 1 3 0 9878.62 10755.71 140.08 o 2 3 0 2705.47 2472.02 22.51 o 3 3 0 2264.18 2169.72 19.34 o 4 3 0 4875.66 4949.67 49.38 o 5 3 0 4606.74 4837.49 47.42 o 6 3 0 5828.60 5623.90 78.88 o 7 3 0 2067.30 2137.56 26.17 o 8 3 0 1412.03 1440.38 26.34 o 9 3 0 1233.29 1180.29 17.86 o 10 3 0 393.69 381.70 21.37 o 11 3 0 289.08 249.30 25.24 o 12 3 0 146.77 171.34 17.38 o -8 4 0 24.62 37.57 9.66 o -7 4 0 25.88 28.19 7.78 o -6 4 0 17.65 12.41 6.56 o -5 4 0 230.60 244.97 25.63 o -4 4 0 69.00 78.79 13.36 o -3 4 0 169.56 165.64 8.85 o -2 4 0 9.03 6.66 4.41 o -1 4 0 418.31 404.34 24.96 o 0 4 0 2328.84 2375.18 49.18 o 1 4 0 820.27 869.51 10.53 o 2 4 0 16.69 18.03 3.95 o 3 4 0 788.85 695.92 9.38 o 4 4 0 1718.37 1864.76 17.83 o 5 4 0 2560.37 2788.54 25.71 o 6 4 0 144.54 155.45 6.49 o 7 4 0 305.52 290.56 4.31 o 8 4 0 268.96 270.20 14.32 o 9 4 0 277.94 268.24 13.67 o 10 4 0 615.66 522.24 31.41 o 11 4 0 257.87 188.41 54.82 o 12 4 0 101.71 105.17 30.38 o -8 5 0 130.63 203.59 30.23 o -7 5 0 375.44 438.13 38.44 o -6 5 0 709.43 782.07 27.93 o -5 5 0 1058.02 1692.60 190.69 o -4 5 0 1820.26 1801.34 42.34 o -3 5 0 2227.01 2332.79 45.06 o -2 5 0 3574.44 3667.60 64.19 o -1 5 0 4668.27 4710.31 109.94 o 0 5 0 7362.43 7346.45 174.65 o 1 5 0 6992.01 7586.31 118.52 o 2 5 0 8792.49 8799.24 139.88 o 3 5 0 11555.20 11748.75 169.03 o 4 5 0 12584.16 13144.69 168.28 o 5 5 0 4191.98 4315.62 43.48 o 6 5 0 3562.02 3531.67 35.71 o 7 5 0 1591.65 1649.42 18.26 o 8 5 0 3812.27 3658.83 148.85 o 9 5 0 2541.38 2575.72 59.10 o 10 5 0 1413.01 1414.94 35.16 o 11 5 0 619.36 652.49 85.21 o 12 5 0 360.46 349.48 24.39 o -7 6 0 51.11 66.96 12.09 o -6 6 0 48.84 112.97 46.80 o -5 6 0 86.37 107.86 16.64 o -4 6 0 212.63 253.02 21.13 o -3 6 0 409.32 481.05 21.49 o -2 6 0 264.72 347.24 24.05 o -1 6 0 247.78 267.56 14.43 o 0 6 0 10.88 21.54 8.32 o 1 6 0 615.98 377.79 100.14 o 2 6 0 446.66 491.23 9.68 o 3 6 0 331.05 402.85 7.73 o 4 6 0 227.96 226.97 11.43 o 5 6 0 2.91 6.46 3.65 o 6 6 0 38.79 44.19 5.19 o 7 6 0 1.78 4.59 2.99 o 8 6 0 66.59 63.20 3.74 o 9 6 0 116.86 125.14 10.98 o 10 6 0 2.11 -0.50 6.22 o 11 6 0 10.53 9.81 10.26 o 12 6 0 2.24 0.52 7.35 o -6 7 0 138.38 206.50 55.72 o -5 7 0 250.33 342.98 94.72 o -4 7 0 377.25 407.26 41.79 o -3 7 0 646.51 799.20 122.91 o -2 7 0 1336.83 1482.53 37.02 o -1 7 0 2678.43 2893.60 59.10 o 0 7 0 2146.86 2141.17 60.62 o 1 7 0 1371.57 1453.05 39.82 o 2 7 0 1061.23 1090.22 17.29 o 3 7 0 4363.42 4342.33 65.18 o 4 7 0 5162.64 5528.61 92.07 o 5 7 0 3719.10 3733.85 48.71 o 6 7 0 1903.24 1911.01 25.59 o 7 7 0 1083.82 1080.59 25.60 o 8 7 0 1647.83 1691.63 25.07 o 9 7 0 1148.66 1192.67 28.77 o 10 7 0 680.04 702.41 56.83 o 11 7 0 531.05 526.10 22.37 o 12 7 0 507.28 521.57 24.69 o -4 8 0 290.56 372.47 62.92 o -3 8 0 332.75 436.81 21.47 o -2 8 0 382.83 464.46 20.39 o -1 8 0 617.83 770.04 109.42 o 0 8 0 761.40 851.68 24.58 o 1 8 0 1655.12 1712.98 51.04 o 2 8 0 1445.11 1576.52 64.70 o 3 8 0 1272.16 1347.95 46.36 o 4 8 0 1312.80 1308.83 29.38 o 5 8 0 1057.29 1080.32 18.24 o 6 8 0 1063.54 1057.66 18.99 o 7 8 0 506.47 555.66 15.67 o 8 8 0 1272.72 1345.72 18.73 o 9 8 0 1013.93 967.49 29.47 o 10 8 0 511.12 529.13 30.94 o 11 8 0 290.49 299.57 17.65 o 12 8 0 243.66 241.70 20.24 o -3 9 0 11.85 0.63 8.04 o -2 9 0 38.94 62.60 12.59 o -1 9 0 167.80 185.20 15.36 o 0 9 0 226.50 210.17 17.88 o 1 9 0 99.14 87.97 12.82 o 2 9 0 35.91 32.98 11.07 o 3 9 0 404.38 428.49 35.29 o 4 9 0 414.83 440.73 14.99 o 5 9 0 321.75 332.02 10.48 o 6 9 0 211.77 240.05 8.22 o 7 9 0 349.63 373.40 10.05 o 8 9 0 488.77 496.64 36.51 o 9 9 0 346.07 332.01 12.75 o 10 9 0 104.48 91.65 13.98 o 11 9 0 110.40 97.02 17.61 o 12 9 0 155.94 180.44 23.10 o -2 10 0 362.55 470.53 32.39 o -1 10 0 457.24 597.30 42.68 o 0 10 0 488.03 580.53 32.05 o 1 10 0 704.73 811.33 35.88 o 2 10 0 913.59 999.45 35.64 o 3 10 0 1366.21 1470.81 35.69 o 4 10 0 1860.80 1966.30 85.95 o 5 10 0 1951.76 1962.74 47.36 o 6 10 0 1674.93 1654.58 90.52 o 7 10 0 833.30 825.38 20.51 o 8 10 0 991.21 1010.02 23.79 o 9 10 0 912.86 875.48 16.38 o 10 10 0 847.27 882.90 36.99 o 11 10 0 638.92 669.40 35.66 o 0 11 0 8.68 2.24 15.17 o 1 11 0 37.17 29.29 13.00 o 2 11 0 53.90 48.38 10.74 o 3 11 0 18.07 24.75 10.50 o 4 11 0 5.61 5.78 6.59 o 5 11 0 18.76 23.19 10.47 o 6 11 0 6.63 4.06 3.76 o 7 11 0 2.12 3.02 3.37 o 8 11 0 2.53 0.74 3.84 o 9 11 0 0.18 -3.20 3.20 o 10 11 0 9.50 17.31 18.27 o 11 11 0 4.78 7.50 18.94 o 2 12 0 379.49 329.69 32.61 o 3 12 0 424.46 421.26 28.07 o 4 12 0 361.90 393.75 19.69 o 5 12 0 435.98 424.07 28.64 o 6 12 0 591.89 556.82 42.19 o 7 12 0 641.24 600.40 21.10 o 8 12 0 568.17 538.05 12.56 o 9 12 0 440.15 438.66 22.88 o -9 -12 1 324.87 297.68 14.60 o -8 -12 1 353.58 322.49 12.21 o -7 -12 1 464.85 436.66 36.18 o -6 -12 1 459.58 399.50 26.22 o -5 -12 1 365.82 401.27 30.09 o -4 -12 1 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339.86 333.61 10.61 o -4 -9 1 308.00 340.01 28.97 o -3 -9 1 58.67 55.34 20.43 o -2 -9 1 1.30 -3.12 8.32 o -1 -9 1 37.68 45.69 21.99 o 0 -9 1 56.84 62.54 10.81 o 1 -9 1 17.50 18.28 14.45 o 2 -9 1 5.65 1.90 11.14 o 3 -9 1 1.52 -1.74 12.26 o -12 -8 1 226.27 211.77 17.73 o -11 -8 1 415.59 368.51 24.46 o -10 -8 1 786.04 799.81 25.33 o -9 -8 1 1312.38 1333.76 49.06 o -8 -8 1 1238.28 1223.92 18.51 o -7 -8 1 652.31 661.33 11.83 o -6 -8 1 1146.45 1136.67 16.81 o -5 -8 1 1111.56 1146.48 26.63 o -4 -8 1 2529.83 2503.84 42.65 o -3 -8 1 1533.80 1618.49 63.44 o -2 -8 1 1638.20 1763.94 51.56 o -1 -8 1 1518.14 1647.61 50.74 o 0 -8 1 1249.28 1343.85 46.88 o 1 -8 1 670.96 669.76 53.00 o 2 -8 1 294.50 365.11 35.73 o 3 -8 1 292.90 373.28 46.80 o 4 -8 1 249.44 258.78 19.82 o -12 -7 1 467.52 498.42 29.06 o -11 -7 1 566.10 620.97 30.90 o -10 -7 1 578.14 512.87 41.59 o -9 -7 1 973.76 904.17 23.03 o -8 -7 1 1553.46 1514.05 18.74 o -7 -7 1 1341.52 1357.19 17.19 o -6 -7 1 932.78 940.81 17.68 o -5 -7 1 1736.17 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13.89 o 4 -4 1 109.87 119.55 20.73 o 5 -4 1 5.17 1.31 5.04 o 6 -4 1 38.65 25.41 7.29 o 7 -4 1 4.97 7.69 6.66 o 8 -4 1 1.72 -4.75 6.56 o -12 -3 1 277.55 318.10 44.80 o -11 -3 1 485.38 479.37 18.09 o -10 -3 1 464.13 479.72 13.63 o -9 -3 1 514.36 522.48 14.35 o -8 -3 1 757.07 756.64 13.94 o -7 -3 1 2420.38 2327.38 28.24 o -6 -3 1 3893.75 3835.46 50.23 o -5 -3 1 6033.14 6071.02 64.83 o -4 -3 1 13028.48 13409.84 190.28 o -3 -3 1 3883.90 3987.96 38.85 o -2 -3 1 2562.56 2640.69 26.06 o -1 -3 1 619.40 588.95 8.61 o 0 -3 1 13908.24 14368.54 206.22 o 1 -3 1 12183.30 11906.93 299.15 o 2 -3 1 8988.09 9501.55 155.08 o 3 -3 1 1572.12 1571.90 29.86 o 4 -3 1 1082.82 1158.77 14.53 o 5 -3 1 686.43 711.84 54.34 o 6 -3 1 1291.56 1278.09 26.97 o 7 -3 1 903.40 938.50 23.76 o 8 -3 1 442.71 455.29 16.78 o 9 -3 1 281.37 252.28 18.39 o -12 -2 1 150.85 198.49 22.06 o -11 -2 1 500.13 448.91 24.24 o -10 -2 1 768.66 763.54 18.81 o -9 -2 1 909.92 941.68 18.53 o -8 -2 1 948.64 989.38 20.65 o -7 -2 1 1476.42 1579.66 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