Information card for entry 4303747

Structure parameters

• Common name: [Xanthdim][Cs(C7H7)]2
• Formula: C89 H100 Cs2 N4 O
• Calculated formula: C89 H100 Cs2 N4 O
• Title of publication: Peculiar Binding Modes of a Ligand with Two Adjacent β-Diiminato Binding Sites in Alkali and Alkaline-Earth Metal Chemistry
• Authors of publication: Dirk F.-J. Piesik; Peter Haack; Sjoerd Harder; Christian Limberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11259 - 11264
• a: 26.3062 ± 0.001 Å
• b: 13.9347 ± 0.0005 Å
• c: 21.3637 ± 0.0007 Å
• α: 90°
• β: 91.916 ± 0.002°
• γ: 90°
• Cell volume: 7826.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No