#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/79/2227935.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2227935_Fobs loop_ _publ_author_name 'Bao, Yan' 'Li, Guang-Ming' 'Yang, Fan' 'Yan, Peng-Fei' 'Chen, Peng' _publ_section_title ; {\m-6,6'-Dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanol-\m-nitrato-dinitratocopper(II)europium(III) ; _journal_coeditor_code RK2221 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1379 _journal_volume 66 _journal_year 2010 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 103.357 _cell_angle_gamma 90.000 _cell_length_a 29.3049 _cell_length_b 14.2330 _cell_length_c 14.1407 _exptl_crystal_F_000 3240.00 _reflns_d_resolution_high 0.7703 _[local]_cod_data_source_file rk2221Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CuEu in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 782.52 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 6 0 0 184970.53 180537.83 3735.53 o 8 0 0 9141.38 9518.91 342.61 o 10 0 0 78727.42 76595.82 1877.53 o 12 0 0 66290.78 67832.13 1382.69 o 14 0 0 177993.69 189745.83 4532.68 o 16 0 0 21329.80 20057.43 863.93 o 18 0 0 159628.45 157132.48 3938.72 o 20 0 0 78.36 -201.49 319.12 o 22 0 0 5322.50 5873.88 549.62 o 24 0 0 24194.10 24681.14 1046.55 o 26 0 0 21070.48 19827.99 846.27 o 28 0 0 30525.58 30128.30 1339.29 o 30 0 0 2578.19 2652.88 800.92 o 32 0 0 6388.98 5312.65 613.85 o 34 0 0 6966.38 7050.87 728.94 o 36 0 0 12334.10 14223.79 1569.29 o 5 1 0 207.37 656.38 83.32 o 7 1 0 5182.55 5769.56 223.03 o 9 1 0 13915.04 13791.33 297.79 o 11 1 0 2863.37 2861.29 227.88 o 13 1 0 1417.44 1684.43 188.33 o 15 1 0 22581.64 23132.14 467.51 o 17 1 0 542.53 151.21 218.72 o 19 1 0 15182.51 15163.16 405.93 o 21 1 0 3639.69 3842.88 297.75 o 23 1 0 3359.39 3364.58 386.35 o 25 1 0 274.76 354.28 216.08 o 27 1 0 3018.70 2159.75 450.99 o 29 1 0 36.61 -342.67 342.67 o 31 1 0 7.90 -250.01 276.13 o 33 1 0 1273.09 967.12 364.29 o 35 1 0 364.19 379.88 376.39 o 2 2 0 4407.16 4735.26 214.39 o 4 2 0 107025.30 106658.86 1292.40 o 6 2 0 59029.84 57734.83 758.37 o 8 2 0 79124.89 77410.88 1058.61 o 10 2 0 84180.16 79504.98 1165.28 o 12 2 0 25194.67 26587.45 492.72 o 14 2 0 63494.91 64540.66 1012.82 o 16 2 0 4626.41 3693.94 307.42 o 18 2 0 90126.47 87116.65 1711.47 o 20 2 0 105.55 367.86 176.50 o 22 2 0 6027.13 5792.41 508.56 o 24 2 0 14796.19 14818.28 798.94 o 26 2 0 8182.45 8350.48 483.78 o 28 2 0 14933.36 15102.55 770.16 o 30 2 0 1485.36 1344.76 361.35 o 32 2 0 8658.49 8883.63 623.30 o 34 2 0 1741.70 1647.03 467.08 o 36 2 0 7495.16 6680.15 657.29 o 1 3 0 12701.15 14609.21 271.26 o 3 3 0 79939.41 81594.57 1821.17 o 5 3 0 226.73 682.99 108.82 o 7 3 0 2832.95 2925.11 189.61 o 9 3 0 76460.09 72959.80 1000.52 o 11 3 0 9375.46 10948.54 320.85 o 13 3 0 2463.59 2846.35 196.94 o 15 3 0 50200.93 51120.99 799.57 o 17 3 0 12971.92 13625.68 379.97 o 19 3 0 18348.72 18852.05 479.56 o 21 3 0 9912.76 10682.02 438.13 o 23 3 0 11585.85 11287.63 522.46 o 25 3 0 76.09 -162.95 209.53 o 27 3 0 18293.15 17313.88 619.34 o 29 3 0 3.35 292.81 352.67 o 31 3 0 199.25 -216.07 310.68 o 33 3 0 5512.70 5759.59 514.98 o 35 3 0 1755.92 1404.08 439.50 o 0 4 0 612338.38 659612.06 14919.90 o 2 4 0 232996.55 228207.14 7898.04 o 4 4 0 47274.75 46016.88 726.37 o 6 4 0 10260.11 8883.06 166.30 o 8 4 0 19335.79 19530.25 479.01 o 10 4 0 45956.80 45547.56 633.46 o 12 4 0 4839.88 5139.40 283.33 o 14 4 0 43937.96 42646.04 907.76 o 16 4 0 1108.62 1464.76 213.61 o 18 4 0 15687.23 16034.92 530.65 o 20 4 0 17491.11 17404.67 582.88 o 22 4 0 13820.29 13202.89 462.64 o 24 4 0 10133.59 10341.61 607.15 o 26 4 0 58.52 -237.42 369.08 o 28 4 0 6286.42 5893.33 664.79 o 30 4 0 78.43 29.02 251.59 o 32 4 0 8258.05 8288.80 599.62 o 34 4 0 63.36 -44.18 404.17 o 36 4 0 963.29 970.51 365.79 o 1 5 0 44327.26 44453.25 380.36 o 3 5 0 16664.00 17059.54 239.14 o 5 5 0 66839.59 68806.99 823.91 o 7 5 0 871.05 1041.76 79.56 o 9 5 0 83998.89 84485.98 1555.77 o 11 5 0 19279.02 18951.07 383.32 o 13 5 0 14304.54 14658.21 658.05 o 15 5 0 36210.14 36657.38 678.82 o 17 5 0 17422.22 17315.38 430.02 o 19 5 0 10425.31 11613.88 661.02 o 21 5 0 1798.28 2593.24 401.12 o 23 5 0 13049.25 13803.27 448.35 o 25 5 0 6601.61 6874.31 460.17 o 27 5 0 15979.64 16382.91 683.65 o 29 5 0 1478.31 1451.14 364.18 o 31 5 0 1189.04 782.02 429.77 o 33 5 0 4234.94 3884.43 763.92 o 35 5 0 994.65 372.67 309.86 o 0 6 0 71277.40 72122.02 925.79 o 2 6 0 41620.73 41781.04 396.69 o 4 6 0 31124.95 31589.40 439.10 o 6 6 0 1.49 406.16 52.38 o 8 6 0 1029.34 1629.52 129.64 o 10 6 0 2900.12 3688.84 101.88 o 12 6 0 1518.43 1710.38 171.97 o 14 6 0 17047.26 16112.65 334.16 o 16 6 0 9195.83 8766.28 328.31 o 18 6 0 190.12 237.47 286.74 o 20 6 0 26781.79 25864.21 817.26 o 22 6 0 23132.02 23322.21 758.36 o 24 6 0 1025.31 1271.45 336.33 o 26 6 0 28.90 389.19 259.37 o 28 6 0 2296.71 3075.50 559.74 o 30 6 0 196.55 -9.62 248.32 o 32 6 0 3758.88 4491.63 499.84 o 34 6 0 255.91 -283.99 329.94 o 1 7 0 21766.50 19222.18 217.02 o 3 7 0 12662.26 11732.05 218.40 o 5 7 0 109073.65 108882.25 1417.55 o 7 7 0 4419.97 4545.11 215.51 o 9 7 0 67724.03 67843.67 909.98 o 11 7 0 8438.06 8459.75 188.62 o 13 7 0 24766.14 24534.92 367.46 o 15 7 0 5417.32 6034.27 316.25 o 17 7 0 5299.79 5798.12 347.91 o 19 7 0 18167.85 19010.27 582.79 o 21 7 0 567.24 343.25 251.28 o 23 7 0 14763.02 14809.05 739.31 o 25 7 0 1539.42 1253.96 305.42 o 27 7 0 5337.48 5530.23 454.30 o 29 7 0 5330.65 5881.60 877.80 o 31 7 0 4796.67 5635.91 571.06 o 33 7 0 2351.13 3242.02 528.38 o 0 8 0 4988.12 5500.25 239.20 o 2 8 0 2072.51 2688.82 206.06 o 4 8 0 1293.65 1789.00 125.48 o 6 8 0 43.40 975.53 352.18 o 8 8 0 6579.93 7243.14 251.52 o 10 8 0 1174.10 1529.45 113.67 o 12 8 0 331.22 383.19 97.18 o 14 8 0 1385.75 2148.47 161.55 o 16 8 0 1897.10 1392.27 149.95 o 18 8 0 1593.91 1647.67 148.74 o 20 8 0 2037.03 1764.40 226.16 o 22 8 0 5296.28 5774.26 376.08 o 24 8 0 135.97 4.44 352.87 o 26 8 0 368.05 304.07 255.63 o 28 8 0 0.06 394.38 314.62 o 30 8 0 33.62 -232.92 375.04 o 32 8 0 95.22 -216.49 364.39 o 1 9 0 24545.51 24414.27 264.09 o 3 9 0 8875.87 9011.47 325.22 o 5 9 0 52655.02 52323.10 824.92 o 7 9 0 6982.21 6864.85 322.01 o 9 9 0 27458.53 26530.40 666.47 o 11 9 0 6600.77 6741.15 335.20 o 13 9 0 40250.73 39760.53 686.34 o 15 9 0 1587.69 1843.76 148.73 o 17 9 0 1799.27 1934.08 181.54 o 19 9 0 12966.03 12113.17 367.53 o 21 9 0 557.00 731.40 232.30 o 23 9 0 18885.31 17381.02 608.49 o 25 9 0 723.10 916.99 271.12 o 27 9 0 3803.60 4058.93 361.00 o 29 9 0 4889.35 4325.90 388.12 o 31 9 0 4705.48 5332.24 470.48 o 0 10 0 4835.13 4481.29 145.68 o 2 10 0 9590.58 8575.44 353.31 o 4 10 0 2136.37 2742.82 264.97 o 6 10 0 22.94 326.50 123.47 o 8 10 0 12.14 323.35 160.54 o 10 10 0 70.38 334.86 187.11 o 12 10 0 337.03 727.68 207.41 o 14 10 0 3320.25 4123.19 542.17 o 16 10 0 42.18 150.76 106.89 o 18 10 0 118.29 124.99 129.54 o 20 10 0 3808.87 3940.04 317.70 o 22 10 0 2924.16 2137.09 277.37 o 24 10 0 55.48 232.40 160.96 o 26 10 0 4.27 193.31 222.86 o 28 10 0 1244.74 987.04 311.49 o 30 10 0 13.59 62.84 331.86 o 1 11 0 16288.76 15559.94 580.05 o 3 11 0 835.95 1465.12 203.64 o 5 11 0 28951.62 28945.28 701.30 o 7 11 0 558.26 379.66 195.29 o 9 11 0 12907.02 13958.52 652.40 o 11 11 0 1671.56 2093.79 252.66 o 13 11 0 21755.17 22502.75 667.24 o 15 11 0 4624.01 5490.83 455.62 o 17 11 0 4668.35 5887.89 589.90 o 19 11 0 9580.58 9082.12 993.99 o 21 11 0 25.30 168.26 113.51 o 23 11 0 10579.96 9105.34 719.97 o 25 11 0 77.53 -283.59 313.45 o 27 11 0 2512.84 4468.97 1200.11 o 29 11 0 1442.29 1394.64 403.53 o 0 12 0 3582.77 2782.90 817.64 o 2 12 0 5026.37 4584.21 372.12 o 4 12 0 10718.54 9464.61 627.06 o 6 12 0 1828.04 999.76 207.34 o 8 12 0 3774.38 4053.35 271.44 o 10 12 0 1165.51 787.95 205.68 o 12 12 0 55.57 45.33 213.90 o 14 12 0 13823.63 12783.19 888.37 o 16 12 0 1495.10 2058.35 322.16 o 18 12 0 386.49 495.72 262.76 o 20 12 0 8239.78 8661.69 589.91 o 22 12 0 5595.39 5443.71 817.79 o 24 12 0 974.29 1059.71 412.77 o 26 12 0 224.27 40.84 416.44 o 28 12 0 1299.75 1209.96 439.37 o 1 13 0 585.37 618.78 110.57 o 3 13 0 1476.03 2230.70 249.18 o 5 13 0 955.68 1088.29 200.71 o 7 13 0 37.55 121.20 138.78 o 9 13 0 4645.03 5605.01 489.76 o 11 13 0 247.89 213.88 265.32 o 13 13 0 1318.67 1412.03 325.39 o 15 13 0 2814.53 2845.27 437.99 o 17 13 0 2089.89 2214.35 426.39 o 19 13 0 1177.15 1421.95 429.31 o 21 13 0 270.35 293.75 333.46 o 23 13 0 847.77 961.94 385.47 o 25 13 0 109.89 433.90 334.79 o 0 14 0 3896.33 3482.61 541.32 o 2 14 0 101.32 232.31 106.83 o 4 14 0 6870.62 5555.06 758.31 o 6 14 0 1752.64 1513.78 203.13 o 8 14 0 4549.61 4348.25 396.85 o 10 14 0 4691.96 4131.03 353.41 o 12 14 0 764.43 1139.60 244.37 o 14 14 0 4368.76 3523.47 552.21 o 16 14 0 158.35 -279.53 279.53 o 18 14 0 2516.28 1920.12 341.05 o 20 14 0 783.31 442.45 301.51 o 22 14 0 1744.03 2024.12 391.12 o 24 14 0 1189.41 956.36 397.72 o 1 15 0 537.61 788.46 314.08 o 3 15 0 597.58 524.11 169.33 o 5 15 0 57.70 147.31 169.79 o 7 15 0 223.95 -51.45 172.39 o 9 15 0 244.69 639.45 189.98 o 11 15 0 46.00 282.75 243.12 o 13 15 0 65.08 58.16 358.26 o 15 15 0 496.13 556.67 384.81 o 17 15 0 162.18 279.80 291.74 o 19 15 0 71.01 498.47 415.93 o 21 15 0 117.77 2.38 429.52 o 0 16 0 5706.70 7281.58 776.00 o 2 16 0 7.21 424.15 301.83 o 4 16 0 2169.09 1921.22 442.98 o 6 16 0 1473.80 1248.20 298.31 o 8 16 0 1058.70 851.93 287.99 o 10 16 0 2421.99 2358.40 789.78 o 12 16 0 779.41 839.91 365.94 o 14 16 0 748.66 457.28 268.54 o 16 16 0 251.65 -46.50 253.95 o 18 16 0 3004.78 2927.00 490.56 o 1 17 0 0.81 -38.25 321.27 o 3 17 0 16.39 -195.47 360.64 o 5 17 0 2.88 399.37 985.36 o 7 17 0 17.72 279.63 510.19 o 9 17 0 0.40 852.83 583.11 o 11 17 0 145.91 -325.70 550.53 o 13 17 0 138.57 450.79 309.40 o 0 18 0 2093.82 4465.85 1455.65 o 2 18 0 5.35 187.73 403.73 o 4 18 0 560.57 151.68 511.75 o 6 18 0 385.38 198.77 666.24 o 8 18 0 300.41 78.38 1018.96 o -37 1 1 3444.19 4384.27 525.57 o -35 1 1 3547.35 3340.77 590.81 o -33 1 1 10354.63 12160.55 914.45 o -31 1 1 9000.49 8904.17 582.37 o -29 1 1 165.23 452.56 354.37 o -27 1 1 41024.11 41324.62 977.08 o -25 1 1 1107.46 1404.92 294.48 o -23 1 1 10648.65 10210.75 443.34 o -21 1 1 15162.00 14624.49 455.55 o -19 1 1 71252.09 70791.88 1417.52 o -17 1 1 102066.88 99298.23 1684.31 o -15 1 1 52133.29 51875.63 900.43 o -13 1 1 133263.61 135986.73 2214.01 o -11 1 1 17858.77 17527.76 381.20 o -9 1 1 98158.13 94154.06 1350.53 o -7 1 1 37898.75 39338.62 564.47 o -5 1 1 60610.88 64299.19 768.96 o 3 1 1 8923.50 9037.43 303.31 o 5 1 1 102877.37 107477.98 1468.14 o 7 1 1 11418.90 10702.83 348.86 o 9 1 1 193885.64 185771.42 3007.14 o 11 1 1 6264.45 6190.92 220.81 o 13 1 1 35966.88 33363.36 586.46 o 15 1 1 94622.03 91062.97 1428.61 o 17 1 1 21630.95 21395.73 504.94 o 19 1 1 46283.89 44952.59 893.38 o 21 1 1 5453.63 5253.46 408.03 o 23 1 1 20614.18 20144.98 733.81 o 25 1 1 6873.92 7357.12 375.75 o 27 1 1 38036.10 36594.79 994.61 o 29 1 1 2122.63 1923.12 424.20 o 31 1 1 732.57 1105.01 419.00 o 33 1 1 18265.13 18484.60 803.76 o 35 1 1 1237.59 1289.74 372.66 o -36 2 1 1416.02 1006.14 358.92 o -34 2 1 724.08 306.85 587.42 o -32 2 1 393.95 -26.07 325.93 o -30 2 1 76.79 294.18 248.21 o -28 2 1 2253.29 1985.97 377.83 o -26 2 1 2932.27 3314.07 966.76 o -24 2 1 26724.71 26299.35 1082.85 o -22 2 1 9907.62 9789.96 392.16 o -20 2 1 10861.89 11073.49 478.93 o -18 2 1 67003.58 67329.85 1246.11 o -16 2 1 26044.87 24596.04 528.79 o -14 2 1 11224.86 11872.26 323.78 o -12 2 1 1436.30 1418.36 142.83 o -10 2 1 17081.25 16488.32 355.76 o -8 2 1 88475.15 90098.17 1199.50 o -6 2 1 26852.25 24501.46 370.11 o -4 2 1 27745.75 26596.07 322.60 o -2 2 1 113835.55 112552.30 1134.92 o 0 2 1 222274.52 224157.95 2289.49 o 2 2 1 14779.32 13250.99 260.51 o 4 2 1 13457.94 13980.19 254.18 o 6 2 1 73299.21 73176.42 1043.54 o 8 2 1 94.33 541.36 196.70 o 10 2 1 40271.52 42560.48 612.72 o 12 2 1 379.77 1219.86 158.57 o 14 2 1 12126.62 14590.39 406.74 o 16 2 1 12219.24 10717.18 306.51 o 18 2 1 34555.69 34655.10 1024.67 o 20 2 1 35.45 -255.39 255.39 o 22 2 1 360.91 680.93 351.25 o 24 2 1 13311.66 12358.14 563.44 o 26 2 1 1580.40 1151.91 260.05 o 28 2 1 5763.52 4228.20 410.06 o 30 2 1 470.46 634.69 392.02 o 32 2 1 49.61 293.90 287.96 o 34 2 1 4828.45 5494.35 528.98 o 36 2 1 3595.68 1939.20 623.79 o -35 3 1 1758.86 1343.23 411.89 o -33 3 1 3861.90 3178.76 751.60 o -31 3 1 7432.48 7654.39 552.20 o -29 3 1 592.94 990.04 300.17 o -27 3 1 13617.63 12535.07 653.24 o -25 3 1 102.57 -67.89 187.37 o -23 3 1 16993.27 17642.34 617.12 o -21 3 1 2737.16 2880.64 294.23 o -19 3 1 23282.33 22404.66 645.32 o -17 3 1 18766.97 18988.35 591.53 o -15 3 1 35516.09 34292.82 647.80 o -13 3 1 52541.09 51082.46 777.52 o -11 3 1 2791.05 3173.44 172.81 o -9 3 1 126928.70 126416.39 1827.62 o -7 3 1 45886.84 46753.62 597.42 o -5 3 1 100668.13 99320.19 1091.55 o -3 3 1 103845.00 99582.04 983.52 o -1 3 1 54314.12 52645.82 437.73 o 1 3 1 71893.65 70179.21 1130.52 o 3 3 1 15819.71 15369.61 271.61 o 5 3 1 52525.28 51555.97 660.12 o 7 3 1 9392.31 9570.12 363.10 o 9 3 1 94344.34 90525.35 1394.91 o 11 3 1 1504.68 1633.11 224.65 o 13 3 1 33883.79 31497.60 548.67 o 15 3 1 17984.40 17808.91 453.73 o 17 3 1 5645.05 6504.26 309.35 o 19 3 1 55321.17 54611.48 1201.44 o 21 3 1 316.10 172.99 206.83 o 23 3 1 38742.99 36869.69 891.39 o 25 3 1 2433.15 2963.03 362.57 o 27 3 1 9120.53 9097.70 492.48 o 29 3 1 5393.75 6701.24 685.43 o 31 3 1 3118.13 3508.54 527.97 o 33 3 1 4257.03 4235.13 496.13 o 35 3 1 2.18 -345.95 465.46 o -36 4 1 5839.73 6851.72 747.76 o -34 4 1 548.07 738.30 332.34 o -32 4 1 1855.82 1446.90 390.22 o -30 4 1 981.14 1009.14 502.50 o -28 4 1 6101.35 6190.77 611.74 o -26 4 1 4134.70 5123.50 487.13 o -24 4 1 14645.94 15462.91 491.18 o -22 4 1 465.24 747.44 205.80 o -20 4 1 9940.63 10561.35 430.99 o -18 4 1 59242.85 59042.87 1034.87 o -16 4 1 4177.71 4476.54 260.75 o -14 4 1 29009.70 29761.00 541.16 o -12 4 1 5751.93 4720.15 167.95 o -10 4 1 45253.07 45185.11 588.09 o -8 4 1 34362.95 33521.36 687.11 o -6 4 1 10043.68 9747.75 150.04 o -4 4 1 6347.47 6065.06 123.00 o -2 4 1 262397.25 274537.00 3425.12 o 0 4 1 224090.38 223716.00 2643.41 o 2 4 1 4339.67 4620.63 166.62 o 4 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