Information card for entry 4312446

Structure parameters

• Formula: C12 H25 Cl N6 Ni O
• Calculated formula: C12 H25 Cl N6 Ni O
• SMILES: [Ni]12(NC(=NC(=[NH]1)CC)CC)[NH]=C(NC(=[NH]2)CC)CC.[Cl-].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: 13.534 ± 0.002 Å
• b: 9.233 ± 0.003 Å
• c: 14.556 ± 0.003 Å
• α: 90°
• β: 104.144 ± 0.013°
• γ: 90°
• Cell volume: 1763.8 ± 0.7 ų
• Cell temperature: 297 K
• Number of distinct elements: 6
• 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: 0.0992
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No