#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:11:45 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181150 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/29/2222992.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_2222992_Fobs loop_ _publ_author_name 'Zeng, Ju-Lan' 'Jiang, Yi-Min' 'Sun, Li-Xian' 'Cao, Zhong' 'Yang, Dao-Wu' _publ_section_title ; Triaqua(2-{[(E)-5-formyl-2-oxidobenzylidene]amino}ethanesulfonato)cobalt(II) dihydrate ; _journal_coeditor_code BT5026 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1067 _journal_page_last m1068 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 79.040 _cell_angle_beta 78.810 _cell_angle_gamma 89.590 _cell_length_a 7.7480 _cell_length_b 11.2670 _cell_length_c 18.9410 _exptl_crystal_F_000 836.00 _reflns_d_resolution_high 0.8331 _cod_data_source_file bt5026Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C:\XSCANS\Y1603 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 192.78 _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 3.76 1.13 4.37 o 2 0 0 129.46 67.50 10.38 o 3 0 0 24.25 18.79 10.31 o 4 0 0 7206.91 7177.59 52.53 o 5 0 0 33.63 35.90 16.28 o 6 0 0 1865.26 1926.62 40.82 o 7 0 0 75.32 78.40 23.01 o 8 0 0 181.73 165.99 26.55 o 9 0 0 1.19 -4.66 24.36 o -9 1 0 117.50 95.19 26.98 o -8 1 0 21.04 36.78 22.14 o -7 1 0 671.14 698.00 31.37 o -6 1 0 151.29 130.01 22.11 o -5 1 0 38.14 99.81 18.86 o -4 1 0 2442.94 2327.47 32.42 o -3 1 0 86.88 107.11 10.71 o -2 1 0 1551.73 1479.28 18.03 o -1 1 0 204.50 292.17 6.93 o 0 1 0 462.11 556.38 4.43 o 1 1 0 19535.21 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