Information card for entry 4089682

Structure parameters

• Formula: C46 H57 Cl N2 P Si2 Ta
• Calculated formula: C46 H57 Cl N2 P Si2 Ta
• SMILES: c1(ccccc1)[P]12c3cc(ccc3N(c3c(cc(cc3C)C)C)[Ta]32([C](#[C]3[Si](C)(C)C)[Si](C)(C)C)(N(c2c(cc(cc2C)C)C)c2ccc(cc12)C)Cl)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: 12.175 ± 0.005 Å
• b: 20.58 ± 0.005 Å
• c: 18.273 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.045 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4353 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No