Information card for entry 4317127

Structure parameters

• Formula: C80 H121 O42 Tb1.95 Y7.05
• Calculated formula: C80 H121 O42 Tb1.9479 Y7.0521
• 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: 19.1463 ± 0.0002 Å
• b: 19.1463 ± 0.0002 Å
• c: 15.5273 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5692.01 ± 0.11 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: 0.0714
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No