Information card for entry 7114086

Structure parameters

• Formula: C30 H50 N4 O4 Rh
• Calculated formula: C30 H50 N4 O4 Rh
• SMILES: [Rh]12([N]3[C@H](COC=3C=C3OC[C@@H](N13)C(C)(C)C)C(C)(C)C)N1[C@H](COC1=CC1OC[C@@H]([N]2=1)C(C)(C)C)C(C)(C)C
• 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: 16.508 ± 0.0004 Å
• b: 10.976 ± 0.0002 Å
• c: 17.9908 ± 0.0003 Å
• α: 90 ± 0.005°
• β: 107.225 ± 0.0009°
• γ: 90 ± 0.005°
• Cell volume: 3113.58 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No