Information card for entry 7228099

Structure parameters

• Formula: C10 H22 Cr K N2 O12
• Calculated formula: C10 H22 Cr K N2 O12
• SMILES: [K+].[O]=CO[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O.[NH3+]CC.[NH3+]CC
• 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: 8.0147 ± 0.0002 Å
• b: 9.8547 ± 0.0003 Å
• c: 12.3886 ± 0.0003 Å
• α: 90°
• β: 90.052 ± 0.003°
• γ: 90°
• Cell volume: 978.48 ± 0.05 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No