Information card for entry 4341845

Structure parameters

• Chemical name: chloro-bis(2-(2'-hydroxyphenyl)-2-oxazolinato-N,O)oxo-rhenium(V)
• Formula: C18 H16 Cl N2 O5 Re
• Calculated formula: C18 H16 Cl N2 O5 Re
• SMILES: [Re]12(=O)(Cl)([N]3=C(OCC3)c3c(O1)cccc3)[N]1=C(OCC1)c1c(O2)cccc1
• Title of publication: Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.
• Authors of publication: Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141202093244006
• a: 7.3979 ± 0.0005 Å
• b: 25.1497 ± 0.0016 Å
• c: 9.5588 ± 0.0006 Å
• α: 90°
• β: 90.331 ± 0.003°
• γ: 90°
• Cell volume: 1778.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No