#------------------------------------------------------------------------------ #$Date: 2011-11-08 16:24:06 +0200 (Tue, 08 Nov 2011) $ #$Revision: 29951 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/21/2232101.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_2232101_Fobs loop_ _publ_author_name 'Zhang, Yan-Lin' _publ_section_title ; Poly[[diaquabis(2,2'-bipyridine)bis(\m~3~-5-hydroxyisophthalato)(\m~2~-5-hydroxyisophthalato)digadolinium(III)] trihydrate] ; _journal_coeditor_code XU5312 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1368 _journal_page_last m1369 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.008 _cell_angle_beta 103.204 _cell_angle_gamma 106.648 _cell_length_a 11.4196 _cell_length_b 12.0357 _cell_length_c 17.8857 _exptl_crystal_F_000 1236.00 _reflns_d_resolution_high 0.8346 _[local]_cod_data_source_file xu5312Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 346.46 _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 6577.24 7895.41 189.69 o 2 0 0 3891.40 4090.14 126.61 o 3 0 0 31223.16 31621.60 730.86 o 4 0 0 32.82 36.51 14.00 o 5 0 0 2467.06 2748.31 83.57 o 6 0 0 4054.44 3916.28 181.15 o 7 0 0 2860.53 2729.76 158.04 o 8 0 0 5771.49 5642.72 255.84 o 9 0 0 488.41 419.46 88.70 o 10 0 0 842.45 740.76 114.20 o 11 0 0 9841.82 9419.75 403.63 o 12 0 0 2.56 14.00 59.32 o -12 1 0 6920.63 6408.08 337.25 o -11 1 0 2271.80 2038.52 186.27 o -10 1 0 819.14 725.96 116.02 o -9 1 0 14732.20 14796.95 498.25 o -8 1 0 5554.69 5425.70 250.49 o -7 1 0 0.58 -16.85 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