Information card for entry 7121457

Structure parameters

• Chemical name: Dimethylammonium manganese hypophosphite
• Formula: C6 H42 Mn3 N3 O18 P9
• Calculated formula: C6 H42 Mn3 N3 O18 P9
• Title of publication: Hypophosphite hybrid perovskites: a platform for unconventional tilts and shifts.
• Authors of publication: Wu, Yue; Binford, Trevor; Hill, Joshua A.; Shaker, Sammy; Wang, John; Cheetham, Anthony K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 3751 - 3754
• a: 14.6139 ± 0.0003 Å
• b: 13.305 ± 0.0003 Å
• c: 19.3418 ± 0.0006 Å
• α: 90°
• β: 109.188 ± 0.003°
• γ: 90°
• Cell volume: 3551.85 ± 0.17 ų
• Cell temperature: 298.9 ± 0.6 K
• Ambient diffraction temperature: 298.9 ± 0.6 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: 0.0638
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No