Information card for entry 7215071

Structure parameters

• Formula: C5 H11 Mn N O6
• Calculated formula: C5 H11 Mn N O6
• Title of publication: First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]
• Authors of publication: Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3558
• a: 14.3644 ± 0.0017 Å
• b: 8.318 ± 0.001 Å
• c: 8.8927 ± 0.0011 Å
• α: 90°
• β: 120.75 ± 0.005°
• γ: 90°
• Cell volume: 913.1 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No