Information card for entry 4501031

Structure parameters

• Common name: Pentamanganese(II) decabutyrate dihydrate
• Chemical name: Manganese(II) butyrate hydrate (0.4)
• Formula: C40 H74 Mn5 O22
• Calculated formula: C40 H74 Mn5 O22
• Title of publication: Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties
• Authors of publication: Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4080
• a: 40.58 ± 0.005 Å
• b: 40.58 ± 0.005 Å
• c: 40.58 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 66825 ± 14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7513 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No