Information card for entry 4070219

Structure parameters

• Formula: C52 H74 Cl6 P2 Pd
• Calculated formula: C52 H74 Cl6 P2 Pd
• SMILES: C1C(c2cc(cc(c2[P@@]1(Cc1ccccc1)[Pd]([P@@]1(CC(c2cc(cc(c12)C(C)(C)C)C(C)(C)C)(C)C)Cc1ccccc1)(Cl)Cl)C(C)(C)C)C(C)(C)C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Platinum(0)-Catalyzed Intramolecular Addition of a C−H Bond onto the P═C Bond of a Phosphaalkene
• Authors of publication: Houdard, Romaric; Mézailles, Nicolas; Le Goff, Xavier-Frederic; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5952
• a: 16.311 ± 0.001 Å
• b: 17.109 ± 0.001 Å
• c: 19.404 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5415 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0985
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No