Information card for entry 7019920

Structure parameters

• Common name: (Ar(tBuCH2)N)3TaPPh
• Formula: C45 H65 N3 P Ta
• Calculated formula: C45 H65 N3 P Ta
• SMILES: [Ta](=Pc1ccccc1)(N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)N(c1cc(cc(c1)C)C)CC(C)(C)C
• Title of publication: Terminal phosphinidene formation via tantalaziridine complexes.
• Authors of publication: Rankin, Matthew A.; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9615 - 9618
• a: 10.5963 ± 0.0016 Å
• b: 12.3639 ± 0.0019 Å
• c: 17.124 ± 0.003 Å
• α: 82.977 ± 0.003°
• β: 87.201 ± 0.003°
• γ: 74.186 ± 0.003°
• Cell volume: 2142.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0279
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No