Information card for entry 4003225

Structure parameters

• Common name: Co2(dobpdc)(DEF)2
• Formula: C24 H28 Co2 N2 O8
• Calculated formula: C24 H28 Co2 N2 O8
• Title of publication: Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
• Authors of publication: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1128
• a: 21.7036 ± 0.0005 Å
• b: 21.7036 ± 0.0005 Å
• c: 6.844 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2791.93 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No