Information card for entry 4122809

Structure parameters

• Formula: C660 H988 Dy19 N96 O162.5
• Calculated formula: C660 H967.01 Dy19 N96 O162.47
• 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: 45.6636 ± 0.0006 Å
• b: 45.6636 ± 0.0006 Å
• c: 151.631 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 273816 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2847
• Weighted residual factors for all reflections included in the refinement: 0.3124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No