Information card for entry 4310667

Structure parameters

• Formula: C20 H20 Cl2 N Ni O P
• Calculated formula: C20 H20 Cl2 N Ni O P
• SMILES: [Ni]1([P](OC(c2[n]1cccc2)(C)C)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene
• Authors of publication: Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1649 - 1658
• a: 9.151 ± 0.005 Å
• b: 10.262 ± 0.005 Å
• c: 11.874 ± 0.005 Å
• α: 99.291 ± 0.005°
• β: 108.428 ± 0.005°
• γ: 98.439 ± 0.005°
• Cell volume: 1020.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No