Information card for entry 4072649

Structure parameters

• Formula: C22 H30 Cl2 P2 Pt
• Calculated formula: C22 H30 Cl2 P2 Pt
• SMILES: [Pt]([P]1(CCCCC1)c1ccccc1)([P]1(CCCCC1)c1ccccc1)(Cl)Cl
• 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: 17.157 ± 0.002 Å
• b: 9.1406 ± 0.001 Å
• c: 14.2928 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No