Information card for entry 4076879

Structure parameters

• Formula: C33 H64 Li N4 O Si2 Ta
• Calculated formula: C33 H60 Li N4 O Si2 Ta
• SMILES: [Ta]12([O](=[C]2=C[Si](C)(C)C)[Li]23[N]41CC[N]2(CC[N]3(CC4)C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates
• Authors of publication: Schmidt, Joseph A. R.; Arnold, John
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3426
• a: 17.1859 ± 0.0003 Å
• b: 19.2859 ± 0.0003 Å
• c: 24.3778 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8079.9 ± 0.2 ų
• Cell temperature: 166.2 K
• Ambient diffraction temperature: 166.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No