Information card for entry 7019923

Structure parameters

• Common name: (Ar(tBuCH2)N)2(tBuC(H)NAr)TaCl
• Formula: C39 H59 Cl N3 Ta
• Calculated formula: C39 H59 Cl N3 Ta
• SMILES: [Ta]1(Cl)(N(c2cc(cc(c2)C)C)C1C(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: 11.9313 ± 0.0016 Å
• b: 35.046 ± 0.005 Å
• c: 9.5018 ± 0.0012 Å
• α: 90°
• β: 106.182 ± 0.002°
• γ: 90°
• Cell volume: 3815.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No