Information card for entry 4074375

Structure parameters

• Formula: C29 H50 Cl2 N8 Ni O5
• Calculated formula: C29 H50 Cl2 N8 Ni O5
• SMILES: [Ni]1234(OC5=CC(=O)C(NCCN(C)C)=CC5=[N]2CC[N]4(C)C)OC2=CC(=O)C(NCCN(C)C)=CC2=[N]1CC[N]3(C)C.ClCCl.O
• Title of publication: Nickel Complexes with Functional ZwitterionicN,O-Benzoquinonemonoimine-Type Ligands: Syntheses, Structures, and Catalytic Oligomerization of Ethylene
• Authors of publication: Yang, Qing-Zheng; Kermagoret, Anthony; Agostinho, Magno; Siri, Olivier; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5518
• a: 12.104 ± 0.005 Å
• b: 12.574 ± 0.005 Å
• c: 12.884 ± 0.005 Å
• α: 78.262 ± 0.005°
• β: 70.304 ± 0.005°
• γ: 81.282 ± 0.005°
• Cell volume: 1800.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No