Information card for entry 4101718

Structure parameters

• Formula: C34 H57 N4 Si Sm
• Calculated formula: C34 H57 N4 Si Sm
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)([N]#CC(C)(C)C)[n]1c(c(C(C)(C)C)nn91)[Si](C)(C)C)C)C)C)C
• Title of publication: Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds.
• Authors of publication: Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 1
• Pages of publication: 16 - 17
• a: 10.727 ± 0.006 Å
• b: 17.626 ± 0.01 Å
• c: 20.211 ± 0.011 Å
• α: 90°
• β: 104.985 ± 0.009°
• γ: 90°
• Cell volume: 3691 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No