Information card for entry 4072652

Structure parameters

• Formula: C18 H38 Cl2 P2 Pt
• Calculated formula: C18 H38 Cl2 P2 Pt
• SMILES: C1CCCC[P]1([Pt]([P]1(CCCCC1)C(C)(C)C)(Cl)Cl)C(C)(C)C
• 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: 9.0392 ± 0.0006 Å
• b: 13.0671 ± 0.0008 Å
• c: 9.4358 ± 0.0006 Å
• α: 90°
• β: 97.346 ± 0.001°
• γ: 90°
• Cell volume: 1105.37 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No