Information card for entry 2230329

Structure parameters

• Chemical name: Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido- 2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^- pentamethylcyclopentadienyl)lithiumtantalum(V)
• Formula: C34 H51 Cl Li N2 O Ta
• Calculated formula: C34 H51 Cl Li N2 O Ta
• SMILES: [Ta]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)N(c2ccccc2C(C)(C)C)[Li](N5c1ccccc1C(C)(C)C)[O](CC)CC
• Title of publication: Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido-2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^-pentamethylcyclopentadienyl)lithiumtantalum(V)
• Authors of publication: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m688 - m689
• a: 19.5365 ± 0.0012 Å
• b: 16.3544 ± 0.001 Å
• c: 21.3272 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6814.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes