Information card for entry 4074376

Structure parameters

• Formula: C14 H24 Cl2 N4 Ni O2
• Calculated formula: C14 H24 Cl2 N4 Ni O2
• SMILES: [Ni]12(Cl)(Cl)[N](=C3C=C(NCC[NH+](C)C)C(=O)C=C3O1)CC[N]2(C)C
• 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: 7.571 ± 0.001 Å
• b: 9.9 ± 0.001 Å
• c: 23.534 ± 0.004 Å
• α: 90°
• β: 104.1 ± 0.05°
• γ: 90°
• Cell volume: 1710.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No