Information card for entry 4072653

Structure parameters

• Formula: C24 H34 I2 P2 Pt
• Calculated formula: C24 H34 I2 P2 Pt
• SMILES: [Pt](I)(I)([P]1(CCCCCC1)c1ccccc1)[P]1(CCCCCC1)c1ccccc1
• 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: 9.1251 ± 0.001 Å
• b: 16.8748 ± 0.0018 Å
• c: 33.956 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5228.7 ± 1 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: 0.0669
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No