Information card for entry 4072768

Structure parameters

• Formula: C36 H46 N2 O2 Yb
• Calculated formula: C36 H46 N2 O2 Yb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Yb]167892345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)[N](c1ccc(cc1)OC)=CC=[N]9c1ccc(cc1)OC)C)C)C)C
• Title of publication: Coordination of 1,4-Diazabutadiene Ligands to Decamethylytterbocene: Additional Examples of Spin Coupling in Ytterbocene Complexes
• Authors of publication: Walter, Marc D.; Berg, David J.; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2296
• a: 9.99 ± 0.0009 Å
• b: 30.731 ± 0.003 Å
• c: 10.4568 ± 0.001 Å
• α: 90°
• β: 97.978 ± 0.001°
• γ: 90°
• Cell volume: 3179.2 ± 0.5 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No