Information card for entry 7014618

Structure parameters

• Formula: C48 H72 Cl2 Co N12 O6
• Calculated formula: C48 H72 Cl2 Co N12 O6
• Title of publication: Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.
• Authors of publication: Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 573 - 582
• a: 9.2994 ± 0.0015 Å
• b: 22.066 ± 0.004 Å
• c: 13.8764 ± 0.0015 Å
• α: 90°
• β: 90.412 ± 0.006°
• γ: 90°
• Cell volume: 2847.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.296
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.609
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No