Information card for entry 7017871

Structure parameters

• Common name: (eta5-pentamethylcyclopendienyl)(oxo)(eta2-N-isopropyl(tert- butyl)iminoacyl) tantalum
• Chemical name: (eta5-pentamethylcyclopendienyl)(oxo)(eta2-N-isopropyl(tert-butyl)iminoacyl) tantalum
• Formula: C18 H31 Cl N O Ta
• Calculated formula: C18 H31 Cl N O Ta
• SMILES: [Ta]12345(Cl)(=O)([c]6([c]1([c]2([c]4([c]36C)C)C)C)C)[N](C(C)C)=C5C(C)(C)C
• Title of publication: Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.
• Authors of publication: Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1609 - 1616
• a: 8.9863 ± 0.0004 Å
• b: 19.3004 ± 0.0009 Å
• c: 11.7122 ± 0.0005 Å
• α: 90°
• β: 108.886 ± 0.002°
• γ: 90°
• Cell volume: 1922 ± 0.15 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No