Information card for entry 4069034

Structure parameters

• Formula: C48 H78 N4 Si2 Yb2
• Calculated formula: C48 H78 N4 Si2 Yb2
• SMILES: [Yb]123456789([N]([Si](C)(C)C)=N#C[Yb]%10%11%12%13%14%15%16%17([N]([Si](C)(C)C)=N#C9)([c]9([c]%13([c]%12([c]%11([c]%109C)C)C)C)C)[c]9([c]%14([c]%15([c]%16([c]%179C)C)C)C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Synthetic Diversity in the Formation of Triazoles from Nitriles and Diazo Compounds Using Metallocenes of Electropositive Metals
• Authors of publication: Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2897
• a: 9.503 ± 0.001 Å
• b: 14.2204 ± 0.0015 Å
• c: 19.418 ± 0.002 Å
• α: 69.831 ± 0.002°
• β: 80.433 ± 0.002°
• γ: 82.675 ± 0.002°
• Cell volume: 2421.9 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No