Information card for entry 4075281

Structure parameters

• Formula: C15 H27 Cl Ni O P2
• Calculated formula: C15 H27 Cl Ni O P2
• SMILES: [Ni]1(Cl)([P](C)(C)C)([P](C)(C)C)[O]=C(c2c1cccc2)CC
• Title of publication: Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†
• Authors of publication: Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3124
• a: 18.892 ± 0.0006 Å
• b: 9.2032 ± 0.0003 Å
• c: 10.5612 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No