Information card for entry 7044116

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: 8.6505 ± 0.0002 Å
• b: 7.7272 ± 0.0002 Å
• c: 11.4884 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 767.93 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No