Information card for entry 7044113

Structure parameters

• Formula: C3 H8 Co N2 O6
• Calculated formula: C3 H8 Co N2 O6
• Title of publication: Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal
• Authors of publication: Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.565 ± 0.0009 Å
• b: 11.642 ± 0.0012 Å
• c: 7.8673 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 784.48 ± 0.14 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No