Information card for entry 4310669

Structure parameters

• Formula: C42 H44 Cl4 N2 Ni2 O2 P2
• Calculated formula: C42 H44 Cl4 N2 Ni2 O2 P2
• SMILES: [n]12[Ni]3([P](OC(C)(C)Cc1cccc2)(c1ccccc1)c1ccccc1)(Cl)[Cl][Ni]1([n]2c(CC(O[P]1(c1ccccc1)c1ccccc1)(C)C)cccc2)([Cl]3)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: 9.267 ± 0.005 Å
• b: 9.28 ± 0.005 Å
• c: 13.987 ± 0.005 Å
• α: 96.05 ± 0.005°
• β: 94.418 ± 0.005°
• γ: 118.67 ± 0.005°
• Cell volume: 1038.2 ± 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: 0.1179
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No