Information card for entry 4310666

Structure parameters

• Formula: C20 H24 Cl2 N Ni O2 P
• Calculated formula: C20 H24 Cl2 N Ni O2 P
• SMILES: [P]1([Ni]([N]2=C(OCC2(C)C)C(O1)(C)C)(Cl)Cl)(c1ccccc1)c1ccccc1
• 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: 8.999 ± 0.002 Å
• b: 14.579 ± 0.002 Å
• c: 16.535 ± 0.002 Å
• α: 90°
• β: 93.16 ± 0.05°
• γ: 90°
• Cell volume: 2166 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No