#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2201287.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_2201287_Fobs loop_ _publ_author_name 'Chen, Yu-Biao' 'Li, Zhao-Ji' 'Qin, Ye-Yan' 'Kang, Yao' 'Cheng, Jian-Kai' 'Hu, Rui-Feng' 'Wen, Yi-Hang' 'Yao, Yuan-Gen' _publ_section_title ; A new polymorph of tetraethylammonium tris(\m-acetato-O,O')tri-\m-chloro-trichloro-\m~3~-oxo-triangulo-trimolybdenum ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m490 _journal_page_last m491 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.613 _cell_angle_beta 92.518 _cell_angle_gamma 91.815 _cell_length_a 7.9356 _cell_length_b 14.4258 _cell_length_c 24.4415 _exptl_crystal_F_000 1616.00 _reflns_d_resolution_high 0.8366 _[local]_cod_data_source_file bt6175Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' aa in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 482.75 _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 1 0 0 946.17 998.73 37.56 o 2 0 0 47814.75 49284.54 1263.88 o 3 0 0 0.22 -22.10 22.10 o 4 0 0 1446.75 1357.24 65.62 o 5 0 0 1378.48 1809.64 139.20 o 6 0 0 395.39 351.32 90.59 o 7 0 0 4.17 -70.71 70.71 o 8 0 0 243.68 262.94 95.01 o 9 0 0 9.79 -110.48 110.48 o -9 1 0 128.38 601.00 161.30 o -8 1 0 630.14 412.26 106.06 o -7 1 0 3424.35 3460.19 181.19 o -6 1 0 1774.51 1683.70 123.74 o -5 1 0 1187.86 870.57 99.43 o -4 1 0 20047.35 18543.61 365.56 o -3 1 0 5861.06 5603.48 181.19 o -2 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