Information card for entry 4126773

Structure parameters

• Formula: C60 H32 Co2 O8 S8
• Calculated formula: C60 H32 Co2 O8 S8
• Title of publication: Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.
• Authors of publication: Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.2611 ± 0.0011 Å
• b: 12.2636 ± 0.0011 Å
• c: 21.838 ± 0.003 Å
• α: 90°
• β: 99.105 ± 0.011°
• γ: 90°
• Cell volume: 2977.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1822
• Residual factor for significantly intense reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.3339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No