Information card for entry 7039421

Structure parameters

• Formula: C46 H69 N4 Ta
• Calculated formula: C46 H69 N4 Ta
• SMILES: [Ta]12(N(c3c(N1c1c(cccc1C(C)C)C(C)C)cccc3)c1c(cccc1C(C)C)C(C)C)([N](=C(N2C1CCCCC1)C)C1CCCCC1)(C)C
• 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: 14.1372 ± 0.0015 Å
• b: 15.1014 ± 0.0015 Å
• c: 20.108 ± 0.002 Å
• α: 90°
• β: 96.647 ± 0.004°
• γ: 90°
• Cell volume: 4264 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No