Information card for entry 4072767

Structure parameters

• Formula: C36 H46 N2 Yb
• Calculated formula: C36 H46 N2 Yb
• SMILES: [Yb]123456789([N](c%10ccc(cc%10)C)=CC=[N]1c1ccc(C)cc1)([c]1([c]3(C)[c]9(C)[c]7([c]61C)C)C)[c]1([c]5([c]4([c]2([c]81C)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: 11.4165 ± 0.0006 Å
• b: 14.0703 ± 0.0008 Å
• c: 19.8779 ± 0.0011 Å
• α: 90°
• β: 104.413 ± 0.001°
• γ: 90°
• Cell volume: 3092.6 ± 0.3 ų
• Cell temperature: 134 ± 2 K
• Ambient diffraction temperature: 134 ± 2 K
• Number of distinct elements: 4
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No