Information card for entry 4079600

Structure parameters

• Formula: C24 H46 Cl2 P2 Pd
• Calculated formula: C24 H46 Cl2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P]1(C2CCCCC2)[C@H](CC[C@@H]1C)C)[P]1([C@H](CC[C@@H]1C)C)C1CCCCC1
• Title of publication: Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture
• Authors of publication: Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8040
• a: 8.298 ± 0.003 Å
• b: 19.97 ± 0.006 Å
• c: 8.468 ± 0.002 Å
• α: 90°
• β: 105.993 ± 0.016°
• γ: 90°
• Cell volume: 1348.9 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1914
• 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