Information card for entry 7019922

Structure parameters

• Common name: (Ar(CH2tBu)N)3TaCl2
• Formula: C39.5 H61 Cl3.25 N3 Ta
• Calculated formula: C39 H60 Cl2 N3 Ta
• SMILES: [Ta](Cl)(N(c1cc(cc(c1)C)C)CC(C)(C)C)(Cl)(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: 22.3937 ± 0.0019 Å
• b: 13.1868 ± 0.0011 Å
• c: 29.573 ± 0.003 Å
• α: 90°
• β: 108.031 ± 0.001°
• γ: 90°
• Cell volume: 8304.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No