Information card for entry 1545768

Structure parameters

• Common name: Co2(dobdc)(O2)5.94
• Formula: C8 H2 Co2 O17.92
• Calculated formula: C8 H2 Co2 O17.88
• Title of publication: Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction
• Authors of publication: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 25.7599 ± 0.0009 Å
• b: 25.7599 ± 0.0009 Å
• c: 6.8766 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3951.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No