Information card for entry 7039424

Structure parameters

• Formula: C42 H58 N5 Ta
• Calculated formula: C42 H58 N5 Ta
• SMILES: [Ta]12(N(c3c(N1c1c(cccc1C(C)C)C(C)C)cccc3)c1c(cccc1C(C)C)C(C)C)(N([N]2=Nc1c(cc(cc1C)C)C)C)(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: 10.4591 ± 0.0008 Å
• b: 12.8533 ± 0.001 Å
• c: 16.2426 ± 0.0013 Å
• α: 69.066 ± 0.003°
• β: 82.852 ± 0.004°
• γ: 76.536 ± 0.003°
• Cell volume: 1981.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No