Information card for entry 1545764

Structure parameters

• Common name: Co2(dobdc)(N2)3.78
• Formula: C8 H2 Co2 N7.55 O6
• Calculated formula: C8 H2 Co2 N7.56 O6
• 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: 25.81 ± 0.008 Å
• b: 25.81 ± 0.008 Å
• c: 6.901 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3981 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.6199 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No