Information card for entry 4305072

Structure parameters

• Chemical name: catena-[di(mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)- pentaacua-iron(II)manganese(II)-water (1/2)]
• Formula: C12 H18 Fe Mn N4 O15
• Calculated formula: C12 H18 Fe Mn N4 O15
• 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: 7.7854 ± 0.0006 Å
• b: 10.2442 ± 0.0008 Å
• c: 13.3952 ± 0.0011 Å
• α: 100.388 ± 0.001°
• β: 103.293 ± 0.001°
• γ: 103.764 ± 0.001°
• Cell volume: 978.15 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No