#------------------------------------------------------------------------------ #$Date: 2011-06-13 11:18:36 +0200 (Mon, 13 Jun 2011) $ #$Revision: 20762 $ #$URL: svn://www.crystallography.net/cod/cif/2/2006507.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2006507 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1997 _journal_volume 53 _journal_page_first 1246 _journal_page_last 1248 _publ_section_title ; Bis(\m-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato- \k^2^O,O':\k^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate ; loop_ _publ_author_name 'Baumeister, Ute' 'Hartung, Helmut' _chemical_formula_sum 'C38 H38 Mn2 N4 O11' _chemical_formula_structural '((Mn (C10 H8 N2) (H2 O))2 (C9 H8 O4)2) (H2 O)' _chemical_formula_iupac '[Mn (C10 H8 N2) (H2 O) (C9 H8 O4)]2 , H2 O' _chemical_formula_weight 836.60 _chemical_temperature_decomposition_gt 363.15 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.534(2) _cell_length_b 10.486(2) _cell_length_c 10.486(2) _cell_angle_alpha 109.050(10) _cell_angle_beta 92.000(10) _cell_angle_gamma 110.640(10) _cell_volume 913.9(3) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.520 _diffrn_ambient_temperature 293(2) _refine_ls_R_factor_obs .0316 _refine_ls_wR_factor_obs .0768 _cod_depositor_comments ; '_chemical_melting_point' tag was changed to '_chemical_temperature_decomposition_gt' since the value had been given as 'decomposition > 90_C'. The value 'decomposition > 90_C' was changed to '363.15' - it was converted from degrees Celsius(C) to Kelvins(K). Adriana Da\