Information card for entry 7106175

Structure parameters

• Formula: C63 H48 N6 Ni3 O9
• Calculated formula: C63 H48 N6 Ni3 O9
• Title of publication: Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand
• Authors of publication: Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4189
• a: 20.7019 ± 0.0009 Å
• b: 20.7019 ± 0.0009 Å
• c: 10.6229 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3942.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 2.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No