#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217836.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_2217836_Fobs loop_ _publ_author_name 'Pagano, Sandro' 'Schnick, Wolfgang' _publ_section_title ; Di-\m-tert-butanolato-bis[bis(\h^5^-cyclopentadienyl)erbium(III)] ; _journal_coeditor_code SU2044 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m473 _journal_volume 64 _journal_year 2008 _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 101.848 _cell_angle_gamma 90.000 _cell_length_a 8.3905 _cell_length_b 15.6277 _cell_length_c 9.9497 _[local]_cod_data_source_file su2044Isup2.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 2 0 0 12607.92 12797.55 229.23 o 4 0 0 11687.59 11938.19 192.13 o 6 0 0 22941.03 23631.98 396.39 o 8 0 0 6761.03 7102.53 185.22 o 10 0 0 1290.85 1253.61 120.49 o 2 1 0 3340.97 3346.15 37.80 o 3 1 0 1849.72 1977.94 24.07 o 4 1 0 3605.05 3654.60 56.60 o 5 1 0 22022.89 22315.20 234.09 o 6 1 0 297.17 271.34 32.03 o 7 1 0 14679.64 15618.83 270.39 o 8 1 0 250.96 267.41 33.31 o 9 1 0 734.47 629.39 56.39 o 10 1 0 280.41 203.60 45.19 o 1 2 0 4158.97 3752.12 48.01 o 2 2 0 5393.68 5183.89 60.35 o 3 2 0 17459.21 17679.59 186.85 o 4 2 0 10645.36 10761.49 114.40 o 5 2 0 2250.82 2267.49 29.91 o 6 2 0 22751.87 23197.07 752.06 o 7 2 0 358.80 387.11 47.41 o 8 2 0 4174.21 4345.46 91.70 o 9 2 0 1863.32 1887.35 84.19 o 10 2 0 1132.83 1142.35 74.32 o 1 3 0 4523.85 4171.27 52.27 o 2 3 0 17385.89 17043.56 172.93 o 3 3 0 992.79 1110.93 16.60 o 4 3 0 7846.48 7540.75 87.46 o 5 3 0 11713.61 11783.42 128.96 o 6 3 0 159.03 147.86 17.94 o 7 3 0 10363.64 10901.55 270.86 o 8 3 0 4103.59 4379.76 202.89 o 9 3 0 143.44 114.19 19.45 o 10 3 0 2588.24 3016.76 125.16 o 0 4 0 8667.49 7872.23 148.35 o 1 4 0 3029.53 2789.91 44.75 o 2 4 0 12299.25 11765.30 128.90 o 3 4 0 37408.13 37400.36 365.83 o 4 4 0 2631.46 2561.17 38.27 o 5 4 0 3982.17 3838.77 83.55 o 6 4 0 9129.88 9157.90 247.62 o 7 4 0 3487.26 3498.32 93.73 o 8 4 0 866.96 850.91 45.20 o 9 4 0 5776.63 5830.61 171.65 o 10 4 0 473.52 388.47 57.06 o 1 5 0 4733.50 4227.52 60.44 o 2 5 0 30475.73 28962.45 330.77 o 3 5 0 2010.27 2129.28 75.75 o 4 5 0 21855.25 21321.37 273.37 o 5 5 0 2299.88 2243.60 44.92 o 6 5 0 356.79 382.79 30.75 o 7 5 0 1527.39 1568.46 31.01 o 8 5 0 6751.02 6807.90 236.62 o 9 5 0 3.75 16.16 25.62 o 10 5 0 4426.93 4490.25 460.87 o 0 6 0 1703.27 1478.32 43.68 o 1 6 0 12131.29 10903.14 140.38 o 2 6 0 424.30 370.66 11.46 o 3 6 0 41091.47 39945.36 408.71 o 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