Information card for entry 7239167

Structure parameters

• Formula: C4 H6 Mn N2 O2
• Calculated formula: C4 H5.33333 Mn0.666667 N1.33333 O4
• Title of publication: Coexistence of magnetic and electrical order in the new perovskite-like (C3N2H5)[Mn(HCOO)3] formate
• Authors of publication: Pato-Doldán, B.; Gómez-Aguirre, L. C.; Bermúdez-García, J. M.; Sánchez-Andújar, M.; Fondado, A.; Mira, J.; Castro-García, S.; Señarís-Rodríguez, M. A.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 22404
• a: 12.3034 ± 0.0004 Å
• b: 12.4408 ± 0.0004 Å
• c: 12.8156 ± 0.0004 Å
• α: 90°
• β: 91.19 ± 0.002°
• γ: 90°
• Cell volume: 1961.19 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No