Information card for entry 7245006

Structure parameters

• Formula: C12 H16 Fe K N8
• Calculated formula: C12 H15.9984 Fe K N7.9992
• Title of publication: Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]
• Authors of publication: Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.843 ± 0.002 Å
• b: 11.843 ± 0.002 Å
• c: 11.843 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1661.1 ± 0.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No