Information card for entry 4312451

Structure parameters

• Formula: C56 H66 N6 Ni O12
• Calculated formula: C56 H66 N6 Ni O12
• SMILES: C1(NC(=[NH][Ni]2([NH]=1)[NH]=C(NC(=[NH]2)Cc1ccc(OC)cc1)Cc1ccc(cc1)OC)Cc1ccc(OC)cc1)Cc1ccc(cc1)OC.O=C([O-])Cc1ccc(OC)cc1.OC.[O-]C(=O)Cc1ccc(OC)cc1.OC
• 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: 12.4148 ± 0.0001 Å
• b: 13.2229 ± 0.0002 Å
• c: 17.8389 ± 0.0002 Å
• α: 90°
• β: 108.226 ± 0.0004°
• γ: 90°
• Cell volume: 2781.51 ± 0.06 ų
• Cell temperature: 297 K
• Number of distinct elements: 5
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No