Information card for entry 7014621

Structure parameters

• Common name: Ni complex
• Formula: C48 H104 Cl2 N12 Ni O22
• Calculated formula: C48 H48 N12 Ni O24
• 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: 11.8538 ± 0.0005 Å
• b: 11.8538 ± 0.0005 Å
• c: 38.991 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4744.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No