Information card for entry 1549026

Structure parameters

• Formula: C159 H132 N23 O29 Zn6
• Calculated formula: C159 H132 N23 O29 Zn6
• Title of publication: Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels.
• Authors of publication: Kim, Hyun-Chul; Huh, Seong; Lee, Do Nam; Kim, Youngmee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4820 - 4826
• a: 16.255 ± 0.003 Å
• b: 18.811 ± 0.004 Å
• c: 23.568 ± 0.004 Å
• α: 90°
• β: 93.435 ± 0.009°
• γ: 90°
• Cell volume: 7194 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1803
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No