Information card for entry 4122810

Structure parameters

• Formula: C347 H485 Dy12 N48 O83
• Calculated formula: C346.86 H427.623 Dy12 N48 O76.2496
• Title of publication: Lanthanoid "bottlebrush" clusters: remarkably elongated metal-oxo core structures with controllable lengths.
• Authors of publication: D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 43
• Pages of publication: 15122 - 15125
• a: 39.2443 ± 0.0011 Å
• b: 39.2443 ± 0.0011 Å
• c: 26.2023 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 34948.1 ± 1.7 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: 0.091
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No