Information card for entry 4112050

Structure parameters

• Formula: C148.96 H185.9 O15.24 Pr8 Se18
• Calculated formula: C148.952 H185.904 O15.238 Pr8 Se18
• Title of publication: Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)
• Authors of publication: Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15900 - 15906
• a: 16.8034 ± 0.0015 Å
• b: 16.7324 ± 0.0015 Å
• c: 28.875 ± 0.003 Å
• α: 90°
• β: 91.403 ± 0.002°
• γ: 90°
• Cell volume: 8116.1 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No