Information card for entry 4076681

Structure parameters

• Formula: C75 H72 K3 N6 O3 Yb
• Calculated formula: C75 H72 K3 N6 O3 Yb
• SMILES: [Yb]123(n4cccc4C(c4n1ccc4)(c1ccccc1)c1ccccc1)(n1cccc1C(c1n2ccc1)(c1ccccc1)c1ccccc1)n1cccc1C(c1n3ccc1)(c1ccccc1)c1ccccc1.[K][O]1CCCC1.[K][O]1CCCC1.[K][O]1CCCC1
• Title of publication: Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands
• Authors of publication: Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1240 - 1246
• a: 13.934 ± 0.002 Å
• b: 24.974 ± 0.003 Å
• c: 19.565 ± 0.002 Å
• α: 90°
• β: 107.783 ± 0.002°
• γ: 90°
• Cell volume: 6483.1 ± 1.4 ų
• Cell temperature: 236 ± 2 K
• Ambient diffraction temperature: 236 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No