Information card for entry 7044115

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: 8.5725 ± 0.0002 Å
• b: 11.6308 ± 0.0003 Å
• c: 7.8437 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 782.06 ± 0.03 ų
• Cell temperature: 353 ± 2 K
• Ambient diffraction temperature: 353 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: 0.0346
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No