Information card for entry 4003529

Structure parameters

• Common name: Zn2(dobdc)(CO2)2.0
• Formula: C9.98 H2 O9.96 Zn2
• Calculated formula: C9.986 H2 O9.966 Zn2
• Title of publication: Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks
• Authors of publication: Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 3570 - 3576
• a: 25.931 ± 0.018 Å
• b: 25.931 ± 0.018 Å
• c: 6.839 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3983 ± 5 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 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No