#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/94/2219430.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_2219430_Fobs loop_ _publ_author_name 'An, Li-Tao' 'Zhou, Jian' 'Zhou, Jian-Feng' 'Xia, Min' _publ_section_title ; Diaquabis(3,7-dichloroquinoline-8-carboxylato)zinc(II) monohydrate ; _journal_coeditor_code SG2255 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1170 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 87.572 _cell_angle_beta 82.893 _cell_angle_gamma 82.255 _cell_length_a 6.8678 _cell_length_b 12.6996 _cell_length_c 12.9317 _exptl_crystal_F_000 604.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file sg2255Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 211.10 _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 4713.15 4729.28 56.34 o 2 0 0 44563.81 46832.67 833.01 o 3 0 0 44.89 37.67 11.58 o 4 0 0 133.08 213.28 18.33 o 5 0 0 749.88 596.51 47.09 o 6 0 0 794.48 950.14 77.64 o 7 0 0 41.47 48.79 28.69 o 8 0 0 400.51 331.03 55.68 o -8 1 0 135.07 137.43 51.61 o -7 1 0 249.50 280.40 45.80 o -6 1 0 193.91 204.30 37.22 o -5 1 0 592.42 542.00 45.52 o -4 1 0 1372.70 1388.56 36.40 o -3 1 0 1042.43 1064.41 37.12 o -2 1 0 284.34 279.74 16.25 o -1 1 0 438.58 473.45 16.62 o 0 1 0 4.32 0.71 1.86 o 1 1 0 10221.09 5003.66 5394.29 o 2 1 0 4763.07 4921.52 124.14 o 3 1 0 2092.11 2167.43 43.59 o 4 1 0 3068.64 3158.53 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