Information card for entry 4079599

Structure parameters

• Formula: C14 H30 Cl2 Ni P2
• Calculated formula: C14 H30 Cl2 Ni P2
• SMILES: [Ni](Cl)(Cl)([P]1([C@H](CC[C@@H]1C)C)C)[P]1([C@H](CC[C@@H]1C)C)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: 12.373 ± 0.004 Å
• b: 12.529 ± 0.002 Å
• c: 24.461 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3792 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No