Information card for entry 7012482

Structure parameters

• Formula: C12 H18 O P Rh
• Calculated formula: C12 H18 O P Rh
• SMILES: [Rh]12345([P](CC[c]61[cH]2[cH]3[cH]4[cH]56)(CC)CC)C#[O]
• Title of publication: Stabilising Rh‒P coordination by phosphanylalkylcyclopentadienyl ligands
• Authors of publication: McConnell, Ann E. C.; Foster, Douglas F.; Pogorzelec, Peter; Slawin, Alexandra M. Z.; Law, David J.; Cole-Hamilton, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 510
• a: 12.3029 ± 0.0004 Å
• b: 9.55 ± 0.0003 Å
• c: 11.1065 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1304.93 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No