Information card for entry 7245005

Structure parameters

• Formula: C12 H16 Cr K N8
• Calculated formula: C12 H16 Cr K N8
• 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: 14.12 ± 0.003 Å
• b: 8.627 ± 0.003 Å
• c: 14.871 ± 0.002 Å
• α: 90°
• β: 110.7 ± 0.02°
• γ: 90°
• Cell volume: 1694.5 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No