Information card for entry 4069033

Structure parameters

• Formula: C48 H78 N4 Si2 Y2
• Calculated formula: C48 H78 N4 Si2 Y2
• SMILES: [Y]123456789([N]([Si](C)(C)C)=N#C[Y]%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]4([c]3([c]2([c]19C)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: 9.5232 ± 0.0011 Å
• b: 14.2635 ± 0.0016 Å
• c: 19.496 ± 0.002 Å
• α: 69.843 ± 0.002°
• β: 80.708 ± 0.002°
• γ: 83.16 ± 0.002°
• Cell volume: 2447.6 ± 0.5 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No