Information card for entry 7228098

Structure parameters

• Formula: C5 H11 Cr0.5 K0.5 N O6
• Calculated formula: C5 H11 Cr0.5 K0.5 N O6
• Title of publication: Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine
• Authors of publication: Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 8.559 ± 0.008 Å
• b: 8.602 ± 0.007 Å
• c: 9.156 ± 0.007 Å
• α: 63.07 ± 0.1°
• β: 63.19 ± 0.1°
• γ: 61.08 ± 0.1°
• Cell volume: 502.3 ± 0.9 ų
• Cell temperature: 79.9 ± 0.4 K
• Ambient diffraction temperature: 79.9 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.3297
• Weighted residual factors for all reflections included in the refinement: 0.4003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No