Information card for entry 7017870

Structure parameters

• Common name: Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N-2,6- dimethylphenyl(phenyl) amidate)tantalum
• Chemical name: Trichlorido(eta5-pentamethylcyclopendienyl)(eta3-N-2,6-dimethylphenyl(phenyl) amidate)tantalum
• Formula: C25 H29 Cl3 N O Ta
• Calculated formula: C25 H29 Cl3 N O Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)([O]=C(c6ccccc6)N1c1c(cccc1C)C)[c]1([c]3([c]2([c]5(C)[c]41C)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: 8.776 ± 0.005 Å
• b: 12.131 ± 0.005 Å
• c: 12.167 ± 0.005 Å
• α: 95.859 ± 0.005°
• β: 90.822 ± 0.005°
• γ: 109.198 ± 0.005°
• Cell volume: 1215.3 ± 1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No