Information card for entry 1545766

Structure parameters

• Common name: Co2(dobdc)(P4)1.32
• Formula: C8 H2 Co2 O6 P5.28
• Calculated formula: C8 H2 Co2 O6 P5.288
• 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: 25.7348 ± 0.0008 Å
• b: 25.7348 ± 0.0008 Å
• c: 6.8385 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3922.2 ± 0.2 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: 0.0902
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No