Information card for entry 4122807

Structure parameters

• Formula: C688 H1107 Dy19 N104 O190
• Calculated formula: C688 H1021 Dy19 N104 O190
• 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: 27.1914 ± 0.0002 Å
• b: 64.5676 ± 0.0006 Å
• c: 59.3556 ± 0.0012 Å
• α: 90°
• β: 92.701 ± 0.001°
• γ: 90°
• Cell volume: 104094 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1841
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.3052
• Weighted residual factors for all reflections included in the refinement: 0.3682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No