Information card for entry 4072654

Structure parameters

• Formula: C21 H26 Cl O P2 Rh
• Calculated formula: C21 H26 Cl O P2 Rh
• SMILES: c1(ccccc1)[P]1(CCCC1)[Rh](C#[O])(Cl)[P]1(c2ccccc2)CCCC1
• Title of publication: Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis
• Authors of publication: Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 713
• a: 9.8155 ± 0.0011 Å
• b: 17.606 ± 0.002 Å
• c: 12.2382 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.665
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No