Information card for entry 7049839

Structure parameters

• Common name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)
• Chemical name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)
• Formula: C24 H28 Cl N2 O7 Re
• Calculated formula: C24 H28 Cl N2 O7 Re
• Title of publication: Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.
• Authors of publication: Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8106 - 8115
• a: 9.9571 ± 0.0003 Å
• b: 11.4206 ± 0.0004 Å
• c: 21.6403 ± 0.0006 Å
• α: 90°
• β: 91.0099 ± 0.0011°
• γ: 90°
• Cell volume: 2460.47 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No