Information card for entry 7235750

Structure parameters

• Formula: C44 H26 Co2 N4 O8
• Calculated formula: C44 H22 Co2 N4 O8
• 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: 11.761 ± 0.005 Å
• b: 15.417 ± 0.006 Å
• c: 15.705 ± 0.006 Å
• α: 98.664 ± 0.006°
• β: 103.082 ± 0.006°
• γ: 90.032 ± 0.006°
• Cell volume: 2740.3 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1009
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No