#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/53/2215386.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_2215386_Fobs loop_ _publ_author_name 'Zeuner, Martin' 'Schnick, Wolfgang' _publ_section_title ; Cubic di-\m-amido-bis[bis(\h^5^-cyclopentadienyl)ytterbium(III)] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2581 _journal_volume 63 _journal_year 2007 _space_group_IT_number 204 _symmetry_space_group_name_Hall '-I 2 2 3' _symmetry_space_group_name_H-M 'I m -3' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 14.4104 _cell_length_b 14.4104 _cell_length_c 14.4104 _[local]_cod_data_source_file bt2511Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 0 0 2 340628.44 349376.78 4424.13 o 1 1 2 187386.73 192219.50 1157.06 o 0 2 2 38434.01 39571.96 616.04 o 2 2 2 1429.73 1487.08 633.23 o 1 0 3 146174.78 146961.59 1187.19 o 0 1 3 12393.75 11291.62 487.75 o 2 1 3 17560.09 17346.77 366.84 o 1 2 3 3816.31 4119.42 337.23 o 0 3 3 164133.58 159217.67 1363.92 o 2 3 3 63852.34 61194.03 462.93 o 0 0 4 25214.04 25972.66 772.14 o 2 0 4 10059.70 11012.24 461.52 o 1 1 4 257472.08 254090.47 1556.46 o 3 1 4 71160.01 67253.97 445.19 o 0 2 4 422.80 836.87 401.43 o 2 2 4 18736.88 17343.35 331.27 o 1 3 4 35366.40 32170.60 346.38 o 3 3 4 9984.34 9797.24 341.89 o 0 4 4 77274.23 72147.23 813.00 o 2 4 4 195533.63 205747.52 1572.13 o 4 4 4 375186.44 388359.44 3682.11 o 1 0 5 18616.71 16404.79 427.82 o 3 0 5 307986.78 313961.44 4536.40 o 0 1 5 64695.59 61276.05 552.15 o 2 1 5 10557.72 11076.19 277.48 o 4 1 5 38410.79 39421.55 393.55 o 1 2 5 2204.04 2052.15 257.78 o 3 2 5 86060.52 89000.57 466.08 o 0 3 5 229976.25 236221.56 2798.18 o 2 3 5 101103.63 105081.89 490.89 o 4 3 5 5234.90 5193.34 339.38 o 1 4 5 34317.38 35995.45 415.08 o 3 4 5 9826.59 9989.69 370.04 o 0 5 5 268037.94 276524.47 1913.04 o 2 5 5 90368.89 92341.13 463.75 o 4 5 5 5093.69 4901.66 364.24 o 0 0 6 157634.81 167617.53 1314.94 o 2 0 6 32310.50 33209.91 616.27 o 4 0 6 5167.53 5822.97 500.19 o 1 1 6 117757.82 128259.74 599.92 o 3 1 6 283.59 486.00 347.74 o 5 1 6 535.41 443.29 332.87 o 0 2 6 55609.68 57818.41 598.59 o 2 2 6 356.17 318.36 341.20 o 4 2 6 67482.73 69421.31 423.22 o 1 3 6 2014.30 1941.96 339.89 o 3 3 6 74786.73 77021.10 400.27 o 5 3 6 53667.24 54672.59 380.29 o 0 4 6 55.99 218.99 459.92 o 2 4 6 34025.55 33585.50 381.13 o 4 4 6 142198.70 144520.86 803.38 o 1 5 6 2760.79 2834.01 318.03 o 3 5 6 48305.11 47790.21 373.38 o 5 5 6 46668.44 46194.08 425.24 o 0 6 6 9858.86 9326.15 426.18 o 2 6 6 445.73 386.80 315.28 o 4 6 6 36576.02 36295.33 336.09 o 6 6 6 5750.76 4971.36 579.20 o 1 0 7 16235.07 17221.56 476.81 o 3 0 7 45037.53 46105.75 514.94 o 5 0 7 16703.92 16459.72 494.42 o 0 1 7 82.49 345.33 480.59 o 2 1 7 72677.48 74930.15 509.29 o 4 1 7 144303.78 146981.16 849.49 o 6 1 7 40141.45 40231.66 336.01 o 1 2 7 58599.03 59726.90 389.79 o 3 2 7 591.49 487.02 328.85 o 5 2 7 777.36 818.09 311.21 o 0 3 7 21343.54 21123.14 507.79 o 2 3 7 436.05 372.09 323.55 o 4 3 7 12443.83 11736.97 338.19 o 6 3 7 123.10 -52.81 319.92 o 1 4 7 152531.22 153285.69 673.55 o 3 4 7 20076.90 19649.98 346.23 o 5 4 7 5762.38 5419.66 336.15 o 0 5 7 20551.65 20854.42 494.13 o 2 5 7 519.72 410.24 304.44 o 4 5 7 18457.46 18777.13 345.23 o 6 5 7 141.24 249.04 315.20 o 1 6 7 49082.85 48934.97 368.85 o 3 6 7 265.87 521.99 293.35 o 5 6 7 754.69 990.46 318.19 o 0 7 7 3028.64 3108.22 456.19 o 2 7 7 21339.04 20889.80 334.29 o 4 7 7 71642.03 70267.07 360.26 o 6 7 7 22495.02 21708.67 295.02 o 0 0 8 303637.16 315776.81 2998.36 o 2 0 8 128952.66 131876.02 1019.69 o 4 0 8 53513.23 54934.76 549.20 o 6 0 8 52957.39 52286.13 542.13 o 1 1 8 944.37 1009.98 314.93 o 3 1 8 19400.67 19385.08 346.94 o 5 1 8 17815.51 17615.48 320.04 o 7 1 8 534.03 269.26 309.59 o 0 2 8 132446.59 134243.11 1054.64 o 2 2 8 24712.64 24856.62 339.64 o 4 2 8 658.72 778.98 288.07 o 6 2 8 13407.07 13138.09 314.49 o 1 3 8 17249.41 16877.84 334.95 o 3 3 8 111773.84 110420.98 666.96 o 5 3 8 93786.47 93585.42 554.47 o 7 3 8 13527.04 12915.79 296.63 o 0 4 8 25333.07 24869.04 452.05 o 2 4 8 3.14 75.25 343.62 o 4 4 8 20572.64 20614.21 344.57 o 6 4 8 658.71 748.35 271.33 o 1 5 8 31415.87 30954.12 326.57 o 3 5 8 105364.57 102190.95 470.60 o 5 5 8 99922.05 97098.13 563.73 o 7 5 8 14416.10 13718.90 302.37 o 0 6 8 68487.73 66247.98 628.79 o 2 6 8 20429.86 20237.30 346.20 o 4 6 8 255.56 290.85 287.81 o 6 6 8 5712.19 5562.65 281.95 o 1 7 8 1154.68 1273.49 280.79 o 3 7 8 16710.44 15675.46 299.93 o 5 7 8 22108.75 21807.63 339.85 o 7 7 8 1059.75 982.77 328.30 o 0 8 8 120581.00 114350.80 971.62 o 2 8 8 58088.39 54521.46 356.26 o 4 8 8 10763.26 11561.49 359.12 o 6 8 8 33162.86 33427.99 348.63 o 8 8 8 67348.20 67425.43 1609.78 o 1 0 9 12339.67 12916.84 472.91 o 3 0 9 11765.73 11328.00 425.81 o 5 0 9 14058.40 13799.23 435.58 o 7 0 9 1725.55 1521.63 352.13 o 0 1 9 9461.74 9490.52 438.66 o 2 1 9 61805.91 61658.90 363.75 o 4 1 9 98118.00 97149.53 527.56 o 6 1 9 42112.35 40203.33 322.63 o 8 1 9 2814.25 2867.62 332.42 o 1 2 9 43913.35 43995.93 331.81 o 3 2 9 761.32 1047.28 300.87 o 5 2 9 115.36 153.23 294.67 o 7 2 9 20530.34 19810.34 304.82 o 0 3 9 8203.78 8294.87 456.44 o 2 3 9 1017.91 1190.97 317.48 o 4 3 9 20228.56 20196.71 312.67 o 6 3 9 4344.09 4355.84 277.09 o 8 3 9 5552.89 5850.08 328.27 o 1 4 9 108642.66 107334.48 431.36 o 3 4 9 23336.37 22986.65 311.89 o 5 4 9 11447.59 11253.36 302.18 o 7 4 9 65145.11 66982.93 409.19 o 0 5 9 8374.08 8577.82 423.65 o 2 5 9 1333.66 1468.09 287.88 o 4 5 9 22986.64 21747.98 322.54 o 6 5 9 1727.00 2094.09 342.80 o 8 5 9 6231.37 6069.62 315.18 o 1 6 9 46605.63 44832.73 400.43 o 3 6 9 908.98 649.50 284.17 o 5 6 9 119.43 291.29 333.92 o 7 6 9 21148.70 21365.79 336.14 o 0 7 9 3887.54 3498.21 429.05 o 2 7 9 31625.85 30751.97 311.90 o 4 7 9 67306.04 68767.84 524.68 o 6 7 9 18541.02 18131.80 360.77 o 8 7 9 1521.40 1599.98 312.61 o 1 8 9 5183.10 5229.03 344.86 o 3 8 9 9305.30 10045.35 336.97 o 5 8 9 8822.99 9202.12 303.72 o 7 8 9 1371.56 926.75 299.35 o 0 9 9 3146.07 3688.89 491.24 o 2 9 9 24083.05 23588.17 331.31 o 4 9 9 54459.49 54082.37 343.38 o 6 9 9 16948.24 17179.72 321.90 o 8 9 9 1705.33 1947.95 375.47 o 0 0 10 91946.96 91690.17 998.52 o 2 0 10 30396.63 30496.25 501.16 o 4 0 10 174.80 -84.92 394.29 o 6 0 10 8470.63 8412.20 422.69 o 8 0 10 55703.60 56788.72 496.48 o 1 1 10 27794.38 26972.55 320.47 o 3 1 10 89.90 407.17 303.97 o 5 1 10 1231.24 1506.82 293.93 o 7 1 10 17712.63 17963.87 360.14 o 9 1 10 14630.42 14588.49 294.65 o 0 2 10 35798.26 34921.52 467.63 o 2 2 10 2240.84 2345.03 283.04 o 4 2 10 7604.87 7269.68 303.11 o 6 2 10 126.55 285.83 324.39 o 8 2 10 17621.38 17328.34 336.83 o 1 3 10 168.30 225.15 288.03 o 3 3 10 35110.94 34920.94 328.93 o 5 3 10 32254.91 31092.91 296.78 o 7 3 10 175.72 226.18 309.53 o 9 3 10 2.45 136.20 294.50 o 0 4 10 4429.44 4619.97 409.00 o 2 4 10 6972.04 7067.53 303.73 o 4 4 10 36011.86 34180.29 323.30 o 6 4 10 5853.47 6133.63 333.61 o 8 4 10 798.05 732.71 278.60 o 1 5 10 793.36 908.16 261.80 o 3 5 10 37267.14 35853.82 308.04 o 5 5 10 30375.07 30835.99 373.33 o 7 5 10 892.29 593.63 291.86 o 9 5 10 181.28 63.74 280.63 o 0 6 10 19555.25 19010.88 422.29 o 2 6 10 115.15 185.27 328.09 o 4 6 10 8577.60 8650.51 349.44 o 6 6 10 11.11 -308.62 339.68 o 8 6 10 8564.34 8484.63 301.57 o 1 7 10 11680.90 10902.62 343.81 o 3 7 10 452.17 397.42 346.89 o 5 7 10 588.16 615.04 324.17 o 7 7 10 6939.39 7237.93 297.53 o 9 7 10 7339.66 7744.50 384.08 o 0 8 10 45559.94 45268.64 539.35 o 2 8 10 13661.35 13994.37 305.85 o 4 8 10 378.80 438.98 308.95 o 6 8 10 5205.18 5422.54 300.84 o 8 8 10 22857.52 24454.91 362.67 o 1 9 10 13229.32 12899.85 313.80 o 3 9 10 88.84 408.36 297.35 o 5 9 10 7.54 -260.89 288.15 o 7 9 10 7748.36 7877.59 354.01 o 9 9 10 7947.15 7443.84 340.93 o 0 10 10 13927.61 13946.95 434.82 o 2 10 10 1460.00 1719.04 260.06 o 4 10 10 1169.20 1115.27 292.42 o 6 10 10 692.23 799.70 370.35 o 8 10 10 7575.76 7173.78 339.39 o 10 10 10 1113.01 1375.23 630.83 o 1 0 11 7251.43 7082.79 406.34 o 3 0 11 66211.45 62740.55 555.88 o 5 0 11 64627.43 65348.59 745.49 o 7 0 11 2472.69 2885.71 385.60 o 9 0 11 1696.87 1089.57 418.81 o 0 1 11 14208.60 14688.04 397.79 o 2 1 11 3.83 -24.46 287.68 o 4 1 11 20224.04 19553.50 311.27 o 6 1 11 389.28 249.36 288.48 o 8 1 11 6146.07 6008.90 293.89 o 10 1 11 42.83 122.36 295.34 o 1 2 11 1256.92 1429.33 284.82 o 3 2 11 22549.88 21413.36 271.01 o 5 2 11 27956.74 27595.53 359.07 o 7 2 11 261.33 -36.03 297.58 o 9 2 11 493.29 16.81 291.14 o 0 3 11 56500.55 55507.67 445.82 o 2 3 11 15202.53 14591.15 279.12 o 4 3 11 4.52 198.26 328.94 o 6 3 11 9937.74 10134.25 309.23 o 8 3 11 36686.33 36463.56 315.46 o 10 3 11 8125.00 8297.13 338.41 o 1 4 11 13793.90 13806.91 289.56 o 3 4 11 2039.29 1757.57 350.67 o 5 4 11 3929.67 3900.31 336.90 o 7 4 11 5132.45 5106.56 313.84 o 9 4 11 7707.67 7530.19 281.25 o 0 5 11 57935.33 58770.85 538.33 o 2 5 11 17265.21 16866.97 353.37 o 4 5 11 1323.12 1256.09 294.31 o 6 5 11 9119.18 9438.05 298.36 o 8 5 11 26681.00 26319.92 297.96 o 10 5 11 7851.73 8132.90 342.38 o 1 6 11 94.73 -26.28 329.59 o 3 6 11 16066.13 16150.23 341.90 o 5 6 11 12850.23 13059.62 337.71 o 7 6 11 3.37 114.82 269.53 o 9 6 11 1166.39 1044.60 363.95 o 0 7 11 10095.98 10197.01 483.81 o 2 7 11 45.45 129.40 299.42 o 4 7 11 6315.53 6611.23 323.58 o 6 7 11 121.64 46.25 294.46 o 8 7 11 2829.42 3094.31 323.65 o 10 7 11 41.47 21.99 338.10 o 1 8 11 3616.38 3630.10 308.95 o 3 8 11 31549.96 31384.54 312.68 o 5 8 11 26411.04 26056.55 326.32 o 7 8 11 4097.27 4114.86 383.46 o 9 8 11 1366.86 1735.22 337.84 o 0 9 11 2146.82 2334.10 379.10 o 2 9 11 624.10 915.00 322.38 o 4 9 11 6638.02 6519.24 278.91 o 6 9 11 574.97 356.11 355.25 o 8 9 11 1403.76 1266.29 315.00 o 10 9 11 1.06 68.15 370.42 o 1 10 11 32.56 451.02 292.67 o 3 10 11 6792.98 7167.93 356.30 o 5 10 11 8394.49 8136.03 353.18 o 7 10 11 197.47 58.71 318.83 o 9 10 11 27.40 -58.32 370.44 o 0 11 11 14280.59 14892.43 499.81 o 2 11 11 5841.50 6237.27 324.74 o 4 11 11 298.10 141.52 329.02 o 6 11 11 2292.80 2208.95 339.79 o 8 11 11 8823.84 9351.04 394.56 o 10 11 11 2205.16 1999.40 378.73 o 0 0 12 9000.89 9282.74 705.33 o 2 0 12 3.33 189.86 519.29 o 4 0 12 19009.30 18535.74 431.03 o 6 0 12 27.15 -380.89 446.44 o 8 0 12 8801.73 8676.44 392.95 o 10 0 12 179.98 698.04 496.21 o 1 1 12 71291.45 73973.45 460.41 o 3 1 12 10498.45 10555.90 324.96 o 5 1 12 5359.21 4895.02 322.29 o 7 1 12 40158.89 40315.73 400.89 o 9 1 12 29526.39 31251.60 367.97 o 11 1 12 2810.78 3268.33 333.95 o 0 2 12 126.90 357.42 419.56 o 2 2 12 7168.08 7736.12 312.86 o 4 2 12 41256.70 41950.54 353.59 o 6 2 12 8049.68 8460.41 288.22 o 8 2 12 26.63 -132.22 273.05 o 10 2 12 1787.42 1663.46 314.35 o 1 3 12 12016.20 12013.57 307.02 o 3 3 12 817.35 824.24 313.80 o 5 3 12 551.56 420.86 266.77 o 7 3 12 8023.55 7490.87 280.97 o 9 3 12 7248.14 7789.95 337.20 o 11 3 12 127.70 -3.89 291.06 o 0 4 12 5939.33 6039.71 455.74 o 2 4 12 34942.22 35432.85 324.44 o 4 4 12 80193.38 80374.37 436.47 o 6 4 12 29760.78 29253.53 321.07 o 8 4 12 4654.79 4731.47 321.62 o 10 4 12 8701.51 8762.88 305.80 o 1 5 12 11382.21 11740.06 289.45 o 3 5 12 903.98 924.59 312.09 o 5 5 12 746.92 861.03 276.64 o 7 5 12 4394.96 4303.64 279.27 o 9 5 12 4543.92 4490.56 328.37 o 11 5 12 615.17 177.67 354.15 o 0 6 12 680.04 715.78 410.73 o 2 6 12 12108.98 12152.00 312.31 o 4 6 12 31725.21 31318.00 318.83 o 6 6 12 9334.35 8694.75 294.81 o 8 6 12 35.93 -331.12 332.47 o 10 6 12 1607.63 1796.72 318.78 o 1 7 12 33487.28 33996.15 331.55 o 3 7 12 6733.27 6686.39 287.63 o 5 7 12 3655.89 3631.57 294.53 o 7 7 12 15825.48 16853.58 347.47 o 9 7 12 17375.11 17038.37 332.27 o 11 7 12 1831.46 1817.35 368.67 o 0 8 12 4015.35 4265.97 427.86 o 2 8 12 11.28 211.53 279.00 o 4 8 12 3905.35 4061.39 342.13 o 6 8 12 332.83 734.81 346.27 o 8 8 12 2681.03 2454.16 314.87 o 10 8 12 126.01 172.63 397.70 o 1 9 12 27400.34 28501.25 353.46 o 3 9 12 6651.83 6563.84 325.94 o 5 9 12 4474.96 4455.11 337.74 o 7 9 12 17253.56 17353.30 323.81 o 9 9 12 16312.04 16441.03 408.06 o 11 9 12 2342.52 2118.20 439.66 o 0 10 12 125.99 -243.08 450.40 o 2 10 12 2093.83 2293.76 350.24 o 4 10 12 10834.65 11475.77 357.03 o 6 10 12 2680.50 2559.14 335.77 o 8 10 12 60.41 447.25 377.52 o 10 10 12 428.58 1138.12 442.62 o 1 11 12 5249.56 5475.27 314.34 o 3 11 12 24.29 43.04 310.30 o 5 11 12 3.08 -103.92 400.35 o 7 11 12 2851.50 2450.76 410.14 o 9 11 12 2096.03 1388.64 420.22 o 11 11 12 2.67 -202.44 420.25 o 0 12 12 3755.56 2889.69 469.76 o 2 12 12 10316.94 11311.01 365.25 o 4 12 12 20016.75 21104.72 382.94 o 6 12 12 8541.32 8459.86 362.82 o 8 12 12 1747.30 1264.69 439.57 o 10 12 12 2662.77 2298.14 470.57 o 1 0 13 10749.02 10618.19 442.87 o 3 0 13 50231.62 50624.07 629.61 o 5 0 13 42473.12 43220.52 503.86 o 7 0 13 8121.55 8714.39 394.22 o 9 0 13 3183.99 3335.47 476.33 o 11 0 13 12205.83 11429.13 535.07 o 0 1 13 15557.78 16321.54 479.42 o 2 1 13 2151.39 2145.44 308.61 o 4 1 13 2632.14 2535.78 276.85 o 6 1 13 1090.00 1070.23 266.10 o 8 1 13 6762.28 6927.21 325.14 o 10 1 13 1090.22 682.53 332.08 o 12 1 13 1399.63 1162.06 380.71 o 1 2 13 193.45 87.25 285.13 o 3 2 13 21677.75 21672.17 313.81 o 5 2 13 19547.73 18953.93 289.92 o 7 2 13 436.57 323.72 286.73 o 9 2 13 1.43 -162.35 319.25 o 11 2 13 5384.69 5792.80 371.94 o 0 3 13 46072.72 46529.89 464.84 o 2 3 13 18890.34 19173.54 315.10 o 4 3 13 1501.81 1404.69 261.07 o 6 3 13 11743.66 11568.64 298.94 o 8 3 13 24970.24 25016.44 349.47 o 10 3 13 7815.39 7925.76 320.87 o 12 3 13 192.78 86.47 345.80 o 1 4 13 3143.45 3284.88 271.04 o 3 4 13 2893.11 2988.57 307.55 o 5 4 13 3988.20 4205.96 282.14 o 7 4 13 1292.09 1140.40 319.62 o 9 4 13 3082.88 3700.91 301.36 o 11 4 13 682.33 331.81 371.42 o 0 5 13 39555.93 39921.38 513.42 o 2 5 13 18340.30 18856.73 318.37 o 4 5 13 2604.56 2439.66 269.13 o 6 5 13 9543.71 9768.30 354.89 o 8 5 13 22256.50 22436.79 338.81 o 10 5 13 7616.29 7886.90 371.38 o 12 5 13 325.69 394.93 380.89 o 1 6 13 84.29 319.39 281.23 o 3 6 13 11940.62 11790.12 280.41 o 5 6 13 12583.72 12827.48 372.42 o 7 6 13 199.35 606.85 343.90 o 9 6 13 79.01 290.74 304.99 o 11 6 13 3407.20 3032.55 390.63 o 0 7 13 10358.88 10387.32 423.64 o 2 7 13 1062.48 1300.95 290.89 o 4 7 13 1626.83 1423.61 369.76 o 6 7 13 392.35 588.98 318.65 o 8 7 13 5708.02 5907.32 352.28 o 10 7 13 596.72 525.36 380.72 o 12 7 13 676.19 424.30 497.42 o 1 8 13 5037.41 5069.37 359.52 o 3 8 13 25555.63 26403.69 337.38 o 5 8 13 23586.88 24257.17 349.02 o 7 8 13 4060.91 4073.19 299.52 o 9 8 13 1894.54 1778.32 355.86 o 11 8 13 7572.26 7439.52 453.10 o 0 9 13 5460.61 5430.80 446.39 o 2 9 13 442.35 -0.73 339.24 o 4 9 13 1208.70 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