Information card for entry 4101719

Structure parameters

• Formula: C60 H90 N4 Si2 Sm2
• Calculated formula: C60 H90 N4 Si2 Sm2
• SMILES: [Sm]123456789(N([Si](C)(C)C)[N]#C[Sm]%10%11%12%13%14%15%16%17(N([Si](C)(C)C)[N]#C9)([c]9([c]%10([c]%11([c]%12([c]%139C)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]8([c]7([c]6([c]51C)C)C)C)C.c1ccccc1.c1ccccc1
• 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: 28.549 ± 0.002 Å
• b: 12.985 ± 0.0011 Å
• c: 20.9316 ± 0.0018 Å
• α: 90°
• β: 129.993 ± 0.001°
• γ: 90°
• Cell volume: 5944.8 ± 0.8 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No