Information card for entry 4126750

Structure parameters

• Chemical name: Triazolium managnese hypophosphite
• Formula: C2 H8 Mn N3 O6 P3
• Calculated formula: C2 H10 Mn N3 O6 P3
• 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: 9.8034 ± 0.0003 Å
• b: 8.5924 ± 0.0002 Å
• c: 13.312 ± 0.0004 Å
• α: 90°
• β: 98.554 ± 0.002°
• γ: 90°
• Cell volume: 1108.86 ± 0.05 ų
• Cell temperature: 298.8 ± 0.4 K
• Ambient diffraction temperature: 298.8 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No