Information card for entry 4122808

Structure parameters

• Formula: C652 H959 Dy19 N96 O172
• Calculated formula: C652 H943 Dy19 N96 O172.04
• 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: 52.1542 ± 0.001 Å
• b: 44.1877 ± 0.001 Å
• c: 50.9434 ± 0.0008 Å
• α: 90°
• β: 112.332 ± 0.002°
• γ: 90°
• Cell volume: 108597 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No