Information card for entry 4089684

Structure parameters

• Formula: C44 H50 N2 P Ta
• Calculated formula: C44 H50 N2 P Ta
• SMILES: [TaH]123([P](c4cc(ccc4N1c1c(cc(cc1C)C)C)C)(c1cc(ccc1N2c1c(C)cc(C)cc1C)C)c1ccccc1)[C](#[C]3CC)CC
• 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: 9.038 ± 0.005 Å
• b: 11.789 ± 0.005 Å
• c: 17.915 ± 0.005 Å
• α: 79.96 ± 0.005°
• β: 87.07 ± 0.005°
• γ: 84.776 ± 0.005°
• Cell volume: 1870.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0246
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No