Information card for entry 4079601

Structure parameters

• Formula: C18 H38 Cl2 P2 Pd
• Calculated formula: C18 H38 Cl2 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P]1(C(C)C)[C@H](CC[C@@H]1C)C)[P]1(C(C)C)[C@H](CC[C@@H]1C)C
• 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: 8.5322 ± 0.0002 Å
• b: 12.0949 ± 0.0003 Å
• c: 22.4379 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.5 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No