Information card for entry 7217722

Structure parameters

• Formula: C24 O13 Zn4
• Calculated formula: C24 O13 Zn4
• Title of publication: Post-synthetic pore-space expansion in a di-tagged metal‒organic framework
• Authors of publication: Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9158
• a: 12.7953 ± 0.001 Å
• b: 12.7953 ± 0.001 Å
• c: 12.7953 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2094.8 ± 0.3 ų
• Cell temperature: 290.81 ± 0.1 K
• Ambient diffraction temperature: 290.81 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.2189
• Residual factor for significantly intense reflections: 0.1982
• Weighted residual factors for significantly intense reflections: 0.5018
• Weighted residual factors for all reflections included in the refinement: 0.5309
• Goodness-of-fit parameter for all reflections included in the refinement: 2.242
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No