Information card for entry 4110050

Structure parameters

• Formula: C46 H36 Cl6 P2 Pt
• Calculated formula: C45 H34 Cl4 P2 Pt
• SMILES: c12cccc3c1C1c4ccccc4C3c3cccc(c13)[P]([Pt]([P]2(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Highly Selective Hydrocyanation of Butadiene toward 3-Pentenenitrile
• Authors of publication: Laura Bini; Christian Müller; Jos Wilting; Lars von Chrzanowski; Anthony L. Spek; Dieter Vogt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12622 - 12623
• a: 16.14097 ± 0.00018 Å
• b: 16.8563 ± 0.0003 Å
• c: 15.227 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4142.92 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No