Information card for entry 4069038

Structure parameters

• Formula: C50 H80 N6 Si2 Sm2
• Calculated formula: C50 H80 N6 Si2 Sm2
• SMILES: [Sm]123456789%10([n]%11n1[n]([Sm]1%12%13%14%15%16%17%18%19([n]%20n1[n]2cc%20[Si](C)(C)C)([c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)cc%11[Si](C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]%10([c]9([c]8([c]71C)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: 10.3605 ± 0.0009 Å
• b: 12.3316 ± 0.0011 Å
• c: 21.5539 ± 0.0019 Å
• α: 88.025 ± 0.001°
• β: 76.914 ± 0.002°
• γ: 75.122 ± 0.001°
• Cell volume: 2591.5 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0279
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No