Information card for entry 7103742

Structure parameters

• Formula: C27 H46 Ni O2 P2
• Calculated formula: C27 H46 Ni O2 P2
• SMILES: [Ni]12([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)O[C@@]1(OC(=CC[C@@H]1C)C)c1c2cccc1.[Ni]12([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)O[C@]1(OC(=CC[C@H]1C)C)c1c2cccc1
• Title of publication: Addition Reactions of O-bound Cyclic Nickel Enolates to alpha,beta-Unsaturated Ketones.
• Authors of publication: Juan Campora; Ernesto Carmona; Claudia Graiff; Celia M. Maya; Pilar Palma; Antonio Tiripicchio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 10.364 ± 0.004 Å
• b: 14.185 ± 0.004 Å
• c: 19.437 ± 0.005 Å
• α: 90°
• β: 98.64 ± 0.03°
• γ: 90°
• Cell volume: 2825.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No