Information card for entry 4064006

Structure parameters

• Formula: C39 H47 Cl2 N2 O P Pd Pt
• Calculated formula: C39 H47 Cl2 N2 O P Pd Pt
• SMILES: [Pt]12([Cl][Pd]3(Cl)[N](C)(C)[C@H](C)c4ccccc4C(=C3[P@@]2(C#CC)c2ccccc2)C)[N]([C@@H](c2c1ccc1ccccc12)C)(C)C.CC(=O)C
• Title of publication: Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle
• Authors of publication: Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1530
• a: 12.4087 ± 0.0005 Å
• b: 15.0921 ± 0.0006 Å
• c: 20.0822 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3760.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No