Information card for entry 4113449

Structure parameters

• Formula: C22 H38 Ni O P2
• Calculated formula: C22 H38 Ni O P2
• SMILES: [Ni]12(c3ccccc3C(O2)=C)[P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and Aldol Reactivity of O- and C-Enolate Complexes of Nickel
• Authors of publication: Juan Cámpora; Celia M. Maya; Pilar Palma; Ernesto Carmona; Enrique Gutiérrez-Puebla; Caridad Ruiz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1482 - 1483
• a: 20.717 ± 0.004 Å
• b: 12.898 ± 0.002 Å
• c: 19.394 ± 0.003 Å
• α: 90°
• β: 116.966 ± 0.004°
• γ: 90°
• Cell volume: 4618.8 ± 1.4 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 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: 0.2071
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections: 0.1853
• Weighted residual factors for significantly intense reflections: 0.1428
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No