Information card for entry 7039426

Structure parameters

• Formula: C46 H78 K2 N2 O8
• Calculated formula: C46 H78 K2 N2 O8
• 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: 10.8034 ± 0.0007 Å
• b: 27.6688 ± 0.0019 Å
• c: 17.1421 ± 0.0012 Å
• α: 90°
• β: 98.503 ± 0.002°
• γ: 90°
• Cell volume: 5067.7 ± 0.6 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No