Information card for entry 4133728

Structure parameters

• Common name: Co2mdobdc_cisC4H8_1p5
• Formula: C8.17 H8.28 Co O3
• Calculated formula: C9.17 H8.78 Co O3
• Title of publication: Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.
• Authors of publication: Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 45
• Pages of publication: 18325 - 18333
• a: 26.089 ± 0.003 Å
• b: 26.089 ± 0.003 Å
• c: 6.8483 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4036.7 ± 0.8 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor R(I) for significantly intense reflections: 0.031
• Goodness-of-fit parameter for all reflections: 2.85
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.45411 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No