Information card for entry 4312453

Structure parameters

• Formula: C20 H36 Cl2 N4 Ni O4
• Calculated formula: C20 H36 Cl2 N4 Ni O4
• SMILES: [N]([Ni](Cl)(Cl)([N](=C1CCCC1)O)([N](=C1CCCC1)O)[N](O)=C1CCCC1)(=C1CCCC1)O
• Title of publication: Facile Ni(II)/Ketoxime-Mediated Conversion of Organonitriles into Imidoylamidine Ligands. Synthesis of Imidoylamidines and Acetyl Amides
• Authors of publication: Maximilian N. Kopylovich; Armando J. L. Pombeiro; Andreas Fischer; Lars Kloo; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7239 - 7248
• a: 14.6795 ± 0.0007 Å
• b: 9.3712 ± 0.0005 Å
• c: 18.2825 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515 ± 0.2 ų
• Cell temperature: 297 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No