Information card for entry 4322773

Structure parameters

• Formula: C16 H26 N6 Ni O6
• Calculated formula: C16 H26 N6 Ni O6
• SMILES: C12C(C([N](C1(C)C)=O)(C)C)=N([Ni]1([N]=2O)[N](=C2C(C([N](C2(C)C)=O)(C)C)=N1=O)O)=O
• Title of publication: Nonclassical Packing of Metal Dioximates. Superexchange through a Diamagnetic Metal Cation
• Authors of publication: Victor I. Ovcharenko; Sergei V. Fokin; Vladimir A. Reznikov; Vladimir N. Ikorskii; Galina V. Romanenko; Renad Z. Sagdeev
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2104 - 2105
• a: 8.0667 ± 0.0011 Å
• b: 11.3119 ± 0.0014 Å
• c: 11.8628 ± 0.0014 Å
• α: 90°
• β: 108.922 ± 0.01°
• γ: 90°
• Cell volume: 1024 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1797
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No