Information card for entry 7235747

Structure parameters

• Formula: C106 H60 O28 Zn6
• Calculated formula: C106 H56 O28 Zn6
• Title of publication: Structural stability of BTTB-based metal‒organic frameworks under humid conditions
• Authors of publication: Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1624
• a: 15.8225 ± 0.0005 Å
• b: 16.8196 ± 0.0005 Å
• c: 28.476 ± 0.0011 Å
• α: 96.7 ± 0.002°
• β: 100.221 ± 0.003°
• γ: 109.597 ± 0.002°
• Cell volume: 6898 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.3001
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No