Information card for entry 4347683

Structure parameters

• Common name: trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)
• Chemical name: trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)
• Formula: C36 H46 Cl N2 O3 Re
• Calculated formula: C36 H46 Cl N2 O3 Re
• Title of publication: Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.
• Authors of publication: Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5973 - 5982
• a: 10.8495 ± 0.0008 Å
• b: 20.5248 ± 0.0016 Å
• c: 30.165 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6717.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1301
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No