Information card for entry 7114087

Structure parameters

• Formula: C23 H25 N2 O2 Rh
• Calculated formula: C23 H25 N2 O2 Rh
• SMILES: [Rh]123(N4[C@H](COC4=CC4OC[C@@H]([N]1=4)c1ccccc1)c1ccccc1)([CH2]=[CH2]2)[CH2]=[CH2]3
• Title of publication: Spontaneous disproportionation of rhodium(i) bisoxazolinates to rhodium(ii)Electronic supplementary information (ESI) available: synthetic procedures (including 1H NMR, 13C NMR and elemental analysis data), EPR spectrum and cyclic voltammogram. See http://www.rsc.org/suppdata/cc/b1/b110183h/
• Authors of publication: Willems, Sander T. H.; Russcher, Jaap C.; Budzelaar, Peter H. M.; Bruin, Bas de; Gelder, René de; Smits, Jan M. M.; W. Gal, Anton
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 148
• a: 8.9724 ± 0.0007 Å
• b: 11.7974 ± 0.0009 Å
• c: 19.112 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No