Information card for entry 4075282

Structure parameters

• Formula: C32 H36 Ni2 O3 P2
• Calculated formula: C32 H36 Ni2 O3 P2
• SMILES: [Ni]123([Ni]4([P](C)(C)c5ccccc5)([O]1[C](C)(c1c3cccc1)CC(=O)c1ccccc41)[OH]2)[P](C)(C)c1ccccc1
• 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: 11.656 ± 0.0006 Å
• b: 12.2387 ± 0.0006 Å
• c: 12.8339 ± 0.0007 Å
• α: 66.272 ± 0.001°
• β: 63.711 ± 0.001°
• γ: 69.297 ± 0.001°
• Cell volume: 1468.02 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No