Information card for entry 4305069

Structure parameters

• Chemical name: catena-[(mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)- triacuamanganese(II)-water (1/2)]
• Formula: C6 H12 Mn N2 O9
• Calculated formula: C6 H12 Mn N2 O9
• Title of publication: Manganese(II) Pyrimidine-4,6-dicarboxylates: Synthetic, Structural, Magnetic, and Adsorption Insights
• Authors of publication: Garikoitz Beobide; Wen-guo Wang; Oscar Castillo; Antonio Luque; Pascual Román; Giulia Tagliabue; Simona Galli; Jorge A. R. Navarro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5267 - 5277
• a: 12.204 ± 0.005 Å
• b: 7.093 ± 0.005 Å
• c: 14.846 ± 0.004 Å
• α: 90°
• β: 121.96 ± 0.02°
• γ: 90°
• Cell volume: 1090.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No