Information card for entry 4317128

Structure parameters

• Formula: C80 H122 O45 Pr0.23 Y8.77
• Calculated formula: C80 H127 O45 Pr0.2282 Y8.7718
• Title of publication: Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra
• Authors of publication: François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10970 - 10976
• a: 19.006 ± 0.0004 Å
• b: 19.006 ± 0.0004 Å
• c: 15.5001 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5599.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No