Information card for entry 7228097

Structure parameters

• Formula: C10 H22 Cr K N2 O12
• Calculated formula: C9.9996 H21.9984 Cr K N1.9998 O12
• 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: 8.5676 ± 0.0002 Å
• b: 8.5676 ± 0.0002 Å
• c: 23.7293 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1508.46 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No