Information card for entry 7235746

Structure parameters

• Formula: C68 H40 Cd3 O18
• Calculated formula: C68 H36 Cd3 O18
• 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: 28.677 ± 0.002 Å
• b: 15.8555 ± 0.0011 Å
• c: 21.4018 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9731.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No