Information card for entry 7039420

Structure parameters

• Formula: C41 H66 Cl Li N2 O2 Ta
• Calculated formula: C41 H66 Cl Li N2 O2 Ta
• Title of publication: Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.
• Authors of publication: Janes, Trevor; Xu, Maotong; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10672 - 10680
• a: 11.0302 ± 0.0004 Å
• b: 23.2106 ± 0.0008 Å
• c: 17.0382 ± 0.0007 Å
• α: 90°
• β: 108.606 ± 0.0015°
• γ: 90°
• Cell volume: 4134.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No