Information card for entry 7000168

Structure parameters

• Formula: C13 H26 Cl2 P2 Pt
• Calculated formula: C13 H26 Cl2 P2 Pt
• SMILES: [Pt]1([P]2(CCC[P]31CCCCC3)CCCCC2)(Cl)Cl
• 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: 12.723 ± 0.003 Å
• b: 11.954 ± 0.003 Å
• c: 22.007 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3347.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No