Information card for entry 4101715

Structure parameters

• Formula: C48 H78 La2 N4 Si2
• Calculated formula: C48 H78 La2 N4 Si2
• SMILES: [La]123456789(N([Si](C)(C)C)[N]#C[La]%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]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: 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: 9.7206 ± 0.001 Å
• b: 14.3124 ± 0.0014 Å
• c: 19.73 ± 0.002 Å
• α: 70.85 ± 0.002°
• β: 81.48 ± 0.002°
• γ: 84.019 ± 0.002°
• Cell volume: 2559.9 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No