Information card for entry 1549027

Structure parameters

• Formula: C48 H30 N6 O8 Zn2
• Calculated formula: C48 H30 N6 O8 Zn2
• 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: 10.7074 ± 0.0007 Å
• b: 14.8797 ± 0.001 Å
• c: 15.0461 ± 0.001 Å
• α: 112.453 ± 0.003°
• β: 94.452 ± 0.003°
• γ: 108.095 ± 0.003°
• Cell volume: 2052.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No