#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/87/2218711.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_2218711_Fobs loop_ _publ_author_name 'Pellens, Michael' 'Thijs, Ben' 'Van Hecke, Kristof' 'Van Meervelt, Luc' 'Binnemans, Koen' 'Nockemann, Peter' _publ_section_title ; Tris(1-ethyl-3-methylimidazolium) hexabromidoeuropate(III) ; _journal_coeditor_code HG2399 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m945 _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 90.360 _cell_angle_gamma 90.000 _cell_length_a 15.7650 _cell_length_b 12.7290 _cell_length_c 14.9200 _exptl_crystal_F_000 1824.00 _reflns_d_resolution_high 0.7298 _[local]_cod_data_source_file hg2399Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LEUVEN-1B in P2(1)/c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 556.66 _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 4 0 0 159446.19 177610.77 2495.47 o 5 0 0 31819.28 33164.39 343.25 o 6 0 0 307324.63 320719.53 4115.67 o 7 0 0 66.90 28.96 174.02 o 8 0 0 10647.74 10339.55 288.22 o 9 0 0 959.85 1098.46 230.81 o 10 0 0 37566.36 -111.87 125.77 o 13 0 0 17342.00 16787.89 464.87 o 14 0 0 23486.69 23700.88 535.80 o 15 0 0 11477.48 11010.03 459.73 o 16 0 0 30771.13 31751.79 651.56 o 17 0 0 110.56 393.51 401.96 o 18 0 0 48995.79 50327.06 837.50 o 19 0 0 7766.97 7510.88 529.77 o 20 0 0 2816.12 2585.60 626.30 o 2 1 0 1266.88 1274.31 106.77 o 3 1 0 9170.87 8853.78 189.77 o 4 1 0 5583.42 5440.56 164.91 o 5 1 0 41665.86 40338.54 358.02 o 6 1 0 750.48 696.29 139.37 o 7 1 0 5332.28 5034.43 135.18 o 8 1 0 2966.66 2323.95 132.24 o 9 1 0 5236.16 4945.84 190.28 o 10 1 0 2871.07 -15.44 88.90 o 12 1 0 1257.39 1159.42 108.95 o 13 1 0 8.45 -33.66 87.35 o 14 1 0 263.57 145.90 78.23 o 15 1 0 1106.73 1327.18 262.87 o 16 1 0 1028.22 879.88 276.92 o 17 1 0 420.49 597.75 287.81 o 18 1 0 2553.23 2715.20 281.13 o 19 1 0 56.01 112.08 282.32 o 20 1 0 1860.75 1402.35 627.99 o 0 2 0 71289.05 79894.51 1010.38 o 1 2 0 524.06 628.48 68.90 o 2 2 0 28956.65 32498.37 570.87 o 3 2 0 1083.75 1368.85 146.92 o 4 2 0 9576.24 8832.83 184.81 o 5 2 0 17413.84 15624.39 554.20 o 6 2 0 41280.22 42136.89 957.15 o 7 2 0 10643.48 10295.42 213.73 o 8 2 0 1912.08 1070.78 166.09 o 9 2 0 22285.51 20388.54 1123.41 o 10 2 0 391.36 114.61 117.76 o 11 2 0 17183.40 17012.45 438.73 o 12 2 0 69534.89 71267.08 763.32 o 13 2 0 153.02 93.76 235.17 o 14 2 0 8002.48 8065.87 291.19 o 15 2 0 4884.79 4698.94 298.24 o 16 2 0 18189.16 17401.87 464.93 o 17 2 0 2630.60 3019.77 274.40 o 18 2 0 24540.26 24828.17 415.41 o 19 2 0 22.47 -8.88 284.05 o 20 2 0 290.13 462.56 656.05 o 1 3 0 3709.42 3723.38 93.32 o 2 3 0 2898.72 2675.36 85.80 o 3 3 0 4661.20 4561.41 137.50 o 4 3 0 15944.65 15882.03 163.86 o 5 3 0 11160.46 11333.02 177.03 o 6 3 0 2669.87 2659.15 168.02 o 7 3 0 8346.24 7263.71 175.84 o 8 3 0 211.99 141.74 174.15 o 9 3 0 9786.39 10577.09 706.21 o 10 3 0 3259.83 3144.77 254.83 o 11 3 0 921.45 585.72 188.55 o 12 3 0 23.12 24.51 172.22 o 13 3 0 11256.01 11581.88 242.08 o 14 3 0 4208.24 3528.77 248.70 o 15 3 0 916.08 891.92 236.48 o 16 3 0 18.29 331.10 250.38 o 17 3 0 3127.38 3487.87 291.00 o 18 3 0 535.89 1281.29 366.59 o 19 3 0 8.09 9.78 383.80 o 20 3 0 337.81 599.18 719.21 o 0 4 0 162736.09 172231.88 2108.08 o 1 4 0 58694.17 58911.26 344.75 o 2 4 0 1924.06 2536.72 93.68 o 3 4 0 44626.64 43644.20 300.45 o 4 4 0 4521.11 5265.70 129.64 o 5 4 0 13535.14 13330.97 172.96 o 6 4 0 58189.73 60055.48 437.29 o 7 4 0 16056.38 15445.31 226.77 o 8 4 0 2875.70 3489.21 232.36 o 9 4 0 10044.11 9779.14 242.36 o 10 4 0 9247.33 10483.90 316.89 o 11 4 0 3879.46 3612.72 266.67 o 12 4 0 39174.05 39137.29 1673.92 o 13 4 0 12213.70 12956.79 382.74 o 14 4 0 7492.76 6986.82 570.96 o 15 4 0 3192.52 3335.84 329.51 o 16 4 0 8601.71 9008.42 349.25 o 17 4 0 1010.89 725.38 299.21 o 18 4 0 19959.76 20272.43 437.68 o 19 4 0 5967.05 6023.06 381.84 o 1 5 0 16759.07 17142.08 168.74 o 2 5 0 11208.38 11323.23 150.14 o 3 5 0 9111.19 9138.27 131.22 o 4 5 0 20601.19 19476.50 169.54 o 5 5 0 21871.35 20894.15 232.22 o 6 5 0 15645.72 15205.16 202.73 o 7 5 0 26816.23 25882.34 414.55 o 8 5 0 1.74 65.67 114.87 o 9 5 0 2341.08 2185.91 219.58 o 10 5 0 177.60 134.81 175.56 o 11 5 0 0.99 261.05 188.68 o 12 5 0 14.58 -59.67 335.86 o 13 5 0 22203.30 21336.07 1775.99 o 14 5 0 268.48 369.71 353.49 o 15 5 0 584.91 554.02 274.11 o 16 5 0 38.88 -266.90 346.01 o 17 5 0 8018.18 8279.72 363.75 o 18 5 0 3908.84 3732.72 361.77 o 19 5 0 74.25 152.46 340.80 o 0 6 0 94999.37 99263.76 515.44 o 1 6 0 10720.07 10280.26 143.12 o 2 6 0 31699.97 33493.23 308.65 o 3 6 0 3013.59 3059.74 134.12 o 4 6 0 14987.87 15593.31 175.64 o 5 6 0 825.66 745.59 128.58 o 6 6 0 67471.44 67756.87 350.73 o 7 6 0 1776.38 1836.64 240.61 o 8 6 0 15048.40 17368.46 308.34 o 9 6 0 1326.80 974.51 229.35 o 10 6 0 6446.94 6793.97 224.45 o 11 6 0 97.35 131.70 233.57 o 12 6 0 17370.54 16876.22 798.74 o 13 6 0 2964.41 2761.96 387.24 o 14 6 0 474.86 645.12 358.59 o 15 6 0 513.13 495.85 380.39 o 16 6 0 1810.34 1550.25 306.65 o 17 6 0 36.04 -84.04 324.41 o 18 6 0 6276.24 6078.08 393.40 o 19 6 0 1401.39 1267.69 421.03 o 1 7 0 6966.38 6993.64 141.55 o 2 7 0 15.12 63.25 122.82 o 3 7 0 19093.96 18471.14 209.23 o 4 7 0 130.52 209.34 131.88 o 5 7 0 49981.11 47058.93 600.19 o 6 7 0 549.32 399.03 149.51 o 7 7 0 2921.46 3173.39 242.52 o 8 7 0 7697.41 7423.18 271.57 o 9 7 0 3266.63 3186.93 242.41 o 10 7 0 10694.22 10793.82 299.06 o 11 7 0 8122.67 8043.06 1138.70 o 12 7 0 558.24 1094.15 346.55 o 13 7 0 8786.84 8822.60 464.29 o 14 7 0 2052.54 1663.36 384.89 o 15 7 0 144.65 -138.21 430.78 o 16 7 0 279.55 -32.86 444.90 o 17 7 0 2522.37 2362.01 353.06 o 18 7 0 7574.78 8383.46 495.19 o 0 8 0 10732.07 11859.08 227.87 o 1 8 0 8594.94 9020.48 162.38 o 2 8 0 7359.06 8465.59 161.46 o 3 8 0 3525.18 3240.87 197.20 o 4 8 0 22702.21 23442.09 398.28 o 5 8 0 538.13 384.22 156.90 o 6 8 0 54849.39 55471.98 831.64 o 7 8 0 1792.23 1683.54 211.19 o 8 8 0 47061.48 48651.22 448.27 o 9 8 0 2280.96 2342.44 246.12 o 10 8 0 45221.41 46271.62 543.94 o 11 8 0 12218.01 11909.30 432.94 o 12 8 0 38762.26 38911.34 1540.75 o 13 8 0 17643.66 18935.68 544.64 o 14 8 0 17368.16 17024.50 836.52 o 15 8 0 11592.57 12767.06 540.92 o 16 8 0 16877.07 18026.01 615.15 o 17 8 0 8919.80 8762.42 572.91 o 18 8 0 15912.28 15864.79 560.67 o 1 9 0 11916.35 11588.52 207.41 o 2 9 0 263.65 350.03 148.14 o 3 9 0 145.51 64.16 202.91 o 4 9 0 2577.27 2493.95 190.89 o 5 9 0 3499.25 3393.07 192.65 o 6 9 0 8301.88 8542.49 269.47 o 7 9 0 25838.79 26157.66 380.33 o 8 9 0 216.68 250.31 235.15 o 9 9 0 2025.82 1932.78 348.98 o 10 9 0 343.77 97.96 352.37 o 11 9 0 1501.59 1863.07 371.72 o 12 9 0 433.25 403.69 383.86 o 13 9 0 10325.94 10824.82 477.59 o 14 9 0 1501.32 1589.07 460.54 o 15 9 0 20.45 741.45 632.46 o 16 9 0 121.77 239.74 625.44 o 17 9 0 1767.39 1366.13 686.00 o 18 9 0 196.64 143.93 588.41 o 0 10 0 26309.43 27882.53 864.12 o 1 10 0 3681.96 4835.13 221.99 o 2 10 0 39545.43 41054.70 770.33 o 3 10 0 8.28 59.86 182.56 o 4 10 0 60301.86 60678.15 1054.14 o 5 10 0 1207.63 1041.53 201.58 o 6 10 0 42261.45 44272.79 603.90 o 7 10 0 7254.22 7910.25 291.49 o 8 10 0 48173.68 50016.25 626.34 o 9 10 0 4288.59 4587.33 385.06 o 10 10 0 26700.68 28050.50 554.47 o 11 10 0 2686.85 3663.55 417.72 o 12 10 0 11760.00 13192.12 523.70 o 13 10 0 114.16 -104.95 427.43 o 14 10 0 8698.26 8944.63 507.29 o 15 10 0 0.21 -60.68 484.19 o 16 10 0 7522.36 7528.05 740.90 o 1 11 0 9238.19 9955.02 230.04 o 2 11 0 6.36 143.82 189.25 o 3 11 0 2.84 -90.31 253.84 o 4 11 0 314.58 302.47 255.67 o 5 11 0 4308.82 3876.30 286.77 o 6 11 0 37.97 67.39 274.22 o 7 11 0 6888.45 6692.55 291.87 o 8 11 0 150.49 178.84 348.86 o 9 11 0 3346.29 3720.12 611.82 o 10 11 0 70.15 -6.83 388.91 o 11 11 0 5006.42 5074.58 680.96 o 12 11 0 4123.40 4217.09 443.98 o 13 11 0 1081.57 1241.82 450.45 o 14 11 0 111.16 184.19 479.52 o 15 11 0 676.69 647.85 649.56 o 16 11 0 9.96 -132.37 669.77 o 0 12 0 2393.72 2706.49 439.63 o 1 12 0 6499.16 6233.71 342.24 o 2 12 0 3998.11 4177.55 334.83 o 3 12 0 2201.70 2379.04 433.10 o 4 12 0 2787.62 2985.29 422.16 o 5 12 0 888.90 1162.72 406.23 o 6 12 0 12.26 -96.62 392.00 o 7 12 0 89.63 12.44 313.37 o 8 12 0 2509.72 2518.10 295.89 o 9 12 0 2916.77 3298.58 430.40 o 10 12 0 1224.63 1183.07 404.26 o 11 12 0 151.85 8.04 514.02 o 12 12 0 928.48 582.44 670.04 o 13 12 0 119.11 144.17 605.72 o 14 12 0 378.36 -31.81 629.49 o 1 13 0 2684.86 2781.14 334.12 o 2 13 0 1031.98 1242.33 367.25 o 3 13 0 26.80 88.10 319.37 o 4 13 0 9924.86 9414.88 535.40 o 5 13 0 2611.20 2713.03 446.50 o 6 13 0 2068.04 2281.45 447.05 o 7 13 0 1260.51 1300.07 456.12 o 8 13 0 2185.70 2156.72 350.53 o 9 13 0 2319.93 2562.75 537.52 o 10 13 0 405.40 360.53 435.46 o 11 13 0 4559.93 5093.35 470.91 o 0 14 0 917.29 502.62 480.54 o 1 14 0 5625.67 5658.72 389.42 o 2 14 0 12927.25 12174.16 438.35 o 3 14 0 11415.27 12374.96 1257.76 o 4 14 0 17630.87 17501.24 490.72 o 5 14 0 3435.02 3680.49 523.05 o 6 14 0 3629.39 3131.91 518.58 o 7 14 0 3360.44 3334.66 532.22 o 8 14 0 21444.11 20864.83 733.94 o 1 15 0 2887.68 2568.10 387.86 o 2 15 0 71.39 167.31 372.83 o 3 15 0 1322.82 848.40 376.04 o 4 15 0 5.49 237.16 373.17 o 5 15 0 1203.07 1053.23 398.26 o 6 15 0 2004.66 1469.55 529.46 o 0 16 0 5177.86 5070.77 606.64 o 1 16 0 8486.09 8512.04 464.09 o 2 16 0 22913.70 22403.79 562.42 o 3 16 0 6488.92 7196.19 452.32 o 4 16 0 20592.49 18834.29 818.10 o 5 16 0 6740.92 6389.52 721.77 o 6 16 0 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