Information card for entry 4115827

Structure parameters

• Formula: C62 H60 N10 Se10 Te2 Yb4
• Calculated formula: C62 H60 N10 Se10 Te2 Yb4
• SMILES: [Yb]1234([Se]56[Yb]78([Se]1[Se]27)([Se][Yb]15([Se]8[Te]c2ccccc2)([Se]2[Yb]56([Se]12)([Se]3[Se]45)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([Se][Te]c1ccccc1)[n]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure
• Authors of publication: Anna Y. Kornienko; Thomas J. Emge; John G. Brennan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11933 - 11939
• a: 12.305 ± 0.006 Å
• b: 31.22 ± 0.019 Å
• c: 19.105 ± 0.009 Å
• α: 90 ± 0.07°
• β: 91.25 ± 0.04°
• γ: 90 ± 0.04°
• Cell volume: 7338 ± 7 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 K
• Number of distinct elements: 6
• 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: 0.169
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No