Information card for entry 7006398

Structure parameters

• Common name: catena-(aqua(mu-oxalato)(purine)manganese(ii))
• Chemical name: catena-[aqua(mu-oxalato)(purine)manganese(II)]
• Formula: C7 H6 Mn N4 O5
• Calculated formula: C7 H6 Mn N4 O5
• 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: 6.913 ± 0.001 Å
• b: 16.283 ± 0.003 Å
• c: 8.594 ± 0.002 Å
• α: 90°
• β: 105.09 ± 0.02°
• γ: 90°
• Cell volume: 934 ± 0.3 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No