Information card for entry 7006669

Structure parameters

• Formula: C39 H64 N5 Si4 Ta
• Calculated formula: C39 H64 N5 Si4 Ta
• SMILES: [Ta]123([N](=C(N1[Si](C)(C)C)c1ccc(cc1)C)[Si](C)(C)C)(N([Si](C)(C)C)C(=[N]2[Si](C)(C)C)c1ccc(cc1)C)(N(C3=C)c1c(cccc1C)C)C
• Title of publication: Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.
• Authors of publication: Mullins, Sarah M.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 203 - 212
• a: 17.9014 ± 0.0004 Å
• b: 11.6015 ± 0.0002 Å
• c: 23.0038 ± 0.0005 Å
• α: 90°
• β: 111.041 ± 0.001°
• γ: 90°
• Cell volume: 4458.95 ± 0.16 ų
• Cell temperature: 170.2 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: 0.0645
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No