Information card for entry 4310668

Structure parameters

• Formula: C21 H22 Cl2 N Ni O P
• Calculated formula: C21 H22 Cl2 N Ni O P
• SMILES: [Ni]1([P](OC(c2[n]1c(C)ccc2)(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: 10.2634 ± 0.0003 Å
• b: 16.955 ± 0.0005 Å
• c: 11.8716 ± 0.0004 Å
• α: 90°
• β: 98.079 ± 0.005°
• γ: 90°
• Cell volume: 2045.34 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1219
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No