Information card for entry 7006399

Structure parameters

• Common name: catena-(diaqua(mu-oxalato)manganese(ii)-adenine-water (1/1/1))
• Chemical name: catena-[diaqua(mu-oxalato)manganese(II)-adenine-water (1/1/1)]
• Formula: C7 H11 Mn N5 O7
• Calculated formula: C7 H11 Mn N5 O7
• Title of publication: Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state.
• Authors of publication: García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 902 - 911
• a: 7.34 ± 0.001 Å
• b: 9.513 ± 0.002 Å
• c: 9.741 ± 0.002 Å
• α: 75.47 ± 0.02°
• β: 80.6 ± 0.02°
• γ: 75.17 ± 0.02°
• Cell volume: 632.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No