Information card for entry 4069225

Structure parameters

• Formula: C14 H17 Cl2 N4 Ni O3
• Calculated formula: C14 H17 Cl2 N4 Ni O3
• SMILES: [Ni]12(Cl)(Cl)([N](O)=Cc3[n]1cccc3)[N](O)=Cc1[n]2cccc1.OCC
• Title of publication: Selective Ethylene Oligomerization with Nickel Oxime Complexes§
• Authors of publication: Mukherjee, Soumen; Patel, Binita A.; Bhaduri, Sumit
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3074
• a: 9.3592 ± 0.0014 Å
• b: 12.012 ± 0.002 Å
• c: 16.3887 ± 0.0017 Å
• α: 90°
• β: 105.301 ± 0.01°
• γ: 90°
• Cell volume: 1777.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No