Information card for entry 4126753

Structure parameters

• Chemical name: Guanidinium manganese hypophosphite
• Formula: C0.5 H6 Mn0.5 N1.5 O3 P1.5
• Calculated formula: C0.5 H6 Mn0.5 N1.5 O3 P1.5
• Title of publication: [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand.
• Authors of publication: Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.7596 ± 0.0003 Å
• b: 13.2087 ± 0.0004 Å
• c: 9.6956 ± 0.0003 Å
• α: 90°
• β: 89.764 ± 0.003°
• γ: 90°
• Cell volume: 1121.8 ± 0.06 ų
• Cell temperature: 298.3 ± 1 K
• Ambient diffraction temperature: 298.3 ± 1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No