Information card for entry 4075283

Structure parameters

• Formula: C25 H30 Ni O P2
• Calculated formula: C25 H30 Ni O P2
• SMILES: [Ni]1(c2c(C(O1)=CC)cccc2)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• 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: 10.8446 ± 0.0009 Å
• b: 16.8315 ± 0.0014 Å
• c: 12.7181 ± 0.0011 Å
• α: 90°
• β: 102.542 ± 0.002°
• γ: 90°
• Cell volume: 2266 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No