Information card for entry 7049840

Structure parameters

• Common name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)
• Chemical name: chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)
• Formula: C22 H22 Cl N4 O9 Re
• Calculated formula: C22 H22 Cl N4 O9 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: 21.9023 ± 0.0014 Å
• b: 10.7081 ± 0.0007 Å
• c: 23.4319 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5495.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No