Information card for entry 4126772

Structure parameters

• Formula: C30 H16 Co O9 S4
• Calculated formula: C30 H16 Co O9 S4
• 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: 11.33 ± 0.0007 Å
• b: 12.5583 ± 0.0006 Å
• c: 22.9058 ± 0.0017 Å
• α: 90°
• β: 91.57 ± 0.007°
• γ: 90°
• Cell volume: 3257.9 ± 0.4 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.3357
• Weighted residual factors for all reflections included in the refinement: 0.3581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No