Information card for entry 4070619

Structure parameters

• Formula: C14 H24 Cl2 N Ni O P
• Calculated formula: C14 H24 Cl2 N Ni O P
• SMILES: [Ni]1(Cl)(Cl)[P](OCc2[n]1cccc2)(C(C)(C)C)C(C)(C)C
• Title of publication: Mono- and Dinuclear Nickel Complexes with Phosphino-, Phosphinito-, and Phosphonitopyridine Ligands: Synthesis, Structures, and Catalytic Oligomerization of Ethylene
• Authors of publication: Kermagoret, Anthony; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 88
• a: 8.877 ± 0.0003 Å
• b: 17.116 ± 0.0006 Å
• c: 12.018 ± 0.0005 Å
• α: 90°
• β: 102.727 ± 0.0012°
• γ: 90°
• Cell volume: 1781.14 ± 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: 0.1207
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No