Information card for entry 4089685

Structure parameters

• Formula: C55 H67 N3 P Si2 Ta
• Calculated formula: C55 H67 N3 P Si2 Ta
• SMILES: C[Si]([C]12[CH]3=[N](c4c(cccc4C)C)[Ta]4523([CH]=1[Si](C)(C)C)N(c1ccc(C)cc1[P]5(c1ccccc1)c1c(ccc(C)c1)N4c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C)(C)C
• Title of publication: Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands
• Authors of publication: Parker, Kyle D. J.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6122
• a: 19.722 ± 0.005 Å
• b: 21.12 ± 0.005 Å
• c: 22.644 ± 0.005 Å
• α: 113.594 ± 0.005°
• β: 97.971 ± 0.005°
• γ: 112.323 ± 0.005°
• Cell volume: 7511 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No