Information card for entry 4076081

Structure parameters

• Formula: C48 H52 Cl6 N2 O8 P2 Pt
• Calculated formula: C48 H52 Cl6 N2 O8 P2 Pt
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)C(=C(C)C(=C(C)[P]1(c1ccccc1)c1ccccc1)C)C)[NH2][C@@H](c1ccccc1)[C@@H]([NH2]2)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Lewis Acid Platinum Complexes of Conformationally Flexible NUPHOS Diphosphines: Highly Efficient Catalysts for the Carbonyl−Ene Reaction
• Authors of publication: Doherty, Simon; Goodrich, Peter; Hardacre, Christopher; Luo, He−Kuan; Nieuwenhuyzen, Mark; Rath, Rakesh K.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5945
• a: 11.647 ± 0.003 Å
• b: 23.066 ± 0.005 Å
• c: 19.835 ± 0.004 Å
• α: 90°
• β: 102.196 ± 0.004°
• γ: 90°
• Cell volume: 5208 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No