Information card for entry 7012478

Structure parameters

• Formula: C17 H29 I O P Rh
• Calculated formula: C17 H29 I O P Rh
• SMILES: [Rh]12345(I)([P](CC[c]61[c]5([c]4([c]3([c]26C)C)C)C)(CC)CC)C(=O)C
• 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: 8.0159 ± 0.0002 Å
• b: 17.7796 ± 0.0001 Å
• c: 13.6522 ± 0.0003 Å
• α: 90°
• β: 94.243 ± 0.001°
• γ: 90°
• Cell volume: 1940.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No