Information card for entry 4065593

Structure parameters

• Formula: C13 H11 O4 Rh
• Calculated formula: C13 H11 O4 Rh
• Title of publication: Substitution and Isomerization of Asymmetric β-Diketonato Rhodium(I) Complexes: A Crystallographic and Computational Study
• Authors of publication: Hopmann, Kathrin H.; Stuurman, Nomampondomise F.; Muller, Alfred; Conradie, Jeanet
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2446
• a: 10.408 ± 0.0004 Å
• b: 7.836 ± 0.0003 Å
• c: 15.9878 ± 0.0006 Å
• α: 90°
• β: 103.213 ± 0.001°
• γ: 90°
• Cell volume: 1269.4 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No