Information card for entry 4077541

Structure parameters

• Chemical name: bis(η^2^-ethene)(2,4-pentanedionato)rhodium(I)
• Formula: C9 H15 O2 Rh
• Calculated formula: C9 H15 O2 Rh
• SMILES: C1(=CC(C)=[O][Rh]23([CH2]=[CH2]2)(O1)[CH2]=[CH2]3)C
• Title of publication: X-ray Structures and DFT Calculations on Rhodium−Olefin Complexes: Comments on the103Rh NMR Shift−Stability Correlation
• Authors of publication: Bühl, Michael; Håkansson, Mikael; Mahmoudkhani, Amir H.; Öhrström, Lars
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5589
• a: 7.6496 ± 0.0012 Å
• b: 14.278 ± 0.003 Å
• c: 9.039 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 987.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 0.74
• Goodness-of-fit parameter for significantly intense reflections: 0.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No