Information card for entry 7236890

Structure parameters

• Formula: C18 H28 Cd N10
• Calculated formula: C18 H28 Cd N10
• Title of publication: Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite
• Authors of publication: Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 37
• Pages of publication: 9867
• a: 16.2377 ± 0.0006 Å
• b: 15.5366 ± 0.0006 Å
• c: 17.4934 ± 0.0007 Å
• α: 90°
• β: 90.722 ± 0.002°
• γ: 90°
• Cell volume: 4412.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0498
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No