Information card for entry 4312449

Structure parameters

• Formula: C20 H42 Cl2 N6 Ni
• Calculated formula: C20 H42 Cl2 N6 Ni
• SMILES: [Ni]12([NH]=C(NC(=[NH]2)CCCC)CCCC)[NH]=C(NC(=[NH]1)CCCC)CCCC.[Cl-].[Cl-]
• 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: 12.5893 ± 0.0001 Å
• b: 15.5296 ± 0.0002 Å
• c: 21.4581 ± 0.0002 Å
• α: 78.3836 ± 0.0004°
• β: 83.6505 ± 0.0004°
• γ: 77.0417 ± 0.0004°
• Cell volume: 3995.21 ± 0.07 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No