#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:31:35 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181247 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/25/2232534.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_2232534_Fobs loop_ _publ_author_name 'Golenya, Irina A.' 'Boyko, Alexander N.' 'Kalibabchuk, Valentina A.' 'Haukka, Matti' 'Tomyn, Stefania V.' _publ_section_title ; Diaquabis(pyridine-2-carboxylato-\k^2^N,O)manganese(II) dimethylformamide hemisolvate ; _journal_coeditor_code ZL2414 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1558 _journal_page_last m1559 _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 73.180 _cell_angle_beta 73.530 _cell_angle_gamma 72.370 _cell_length_a 8.6860 _cell_length_b 13.5320 _cell_length_c 14.8710 _exptl_crystal_F_000 764.00 _reflns_d_resolution_high 0.7382 _cod_data_source_file zl2414Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' IG422A in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 273.63 _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 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592.13 151.15 o 3 5 0 4110.49 3724.26 108.92 o 4 5 0 1969.53 1876.65 92.64 o 5 5 0 767.68 690.49 50.31 o 6 5 0 1573.01 1432.95 38.82 o 7 5 0 656.03 598.08 31.17 o 8 5 0 524.89 480.61 32.00 o 9 5 0 288.30 332.04 33.00 o 10 5 0 61.23 45.67 30.76 o -9 6 0 323.87 398.86 41.73 o -8 6 0 44.36 42.90 21.83 o -7 6 0 372.53 395.52 25.10 o -6 6 0 2.12 14.42 17.98 o -5 6 0 1213.69 1127.78 28.10 o -4 6 0 1212.29 1119.53 25.74 o -3 6 0 44.74 44.85 12.77 o -2 6 0 1462.03 1487.38 69.78 o -1 6 0 1892.61 1922.80 26.94 o 0 6 0 1356.96 1428.38 34.11 o 1 6 0 85.58 177.63 8.35 o 2 6 0 0.78 5.22 9.49 o 3 6 0 36.32 24.12 9.91 o 4 6 0 3076.03 2643.48 33.95 o 5 6 0 845.27 734.36 27.49 o 6 6 0 306.89 329.54 25.18 o 7 6 0 8.42 4.96 20.49 o 8 6 0 267.08 244.03 28.32 o 9 6 0 46.00 55.98 27.52 o 10 6 0 13.90 45.35 29.18 o -8 7 0 373.56 425.57 27.95 o -7 7 0 24.48 22.37 21.13 o -6 7 0 438.84 392.05 24.53 o -5 7 0 68.89 63.42 17.22 o -4 7 0 423.00 420.51 28.50 o -3 7 0 3896.53 3897.66 40.76 o -2 7 0 475.00 583.40 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