Information card for entry 4305071

Structure parameters

• Chemical name: catena-[(mu-pyrimidine-4,6-dicarboxylato)- acua-manganese(II)-water (1/1)]
• Formula: C6 H6 Mn N2 O6
• Calculated formula: C6 H6 Mn N2 O6
• 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: 9.971 ± 0.001 Å
• b: 12.534 ± 0.002 Å
• c: 13.83 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No