Information card for entry 7000170

Structure parameters

• Formula: C24 H44 Cl2 O2 P4 Rh2
• Calculated formula: C24 H44 Cl2 O2 P4 Rh2
• SMILES: [Rh]1([P]2(CCCC2)CCC[P]2([Rh]([P]3(CCCC3)CCC[P]31CCCC3)(Cl)C#[O])CCCC2)(Cl)C#[O]
• Title of publication: Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size
• Authors of publication: Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 202 - 209
• a: 11.7519 ± 0.0007 Å
• b: 11.9472 ± 0.0007 Å
• c: 22.4102 ± 0.0013 Å
• α: 90°
• β: 91.122 ± 0.001°
• γ: 90°
• Cell volume: 3145.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No