Information card for entry 4501028

Structure parameters

• Common name: Hexamanganese(II)hydroxy undecabutyrate
• Chemical name: Hexamanganese(II)hydroxy undecabutyrate
• Formula: C44 H78 Mn6 O23
• Calculated formula: C44 H78 Mn6 O23
• 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: 13.641 ± 0.003 Å
• b: 25.222 ± 0.005 Å
• c: 17 ± 0.003 Å
• α: 90°
• β: 103.37 ± 0.03°
• γ: 90°
• Cell volume: 5690 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2464
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7514 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No