Information card for entry 4309243

Structure parameters

• Formula: C15 H30 N8 Ni O10
• Calculated formula: C15 H30 N8 Ni O10
• SMILES: [Ni]12345[N](O)=C(C[N]4(CC(=[N]1O)C)CCC[N]5(CC(=[N]2O)C)CC(=[N]3O)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands
• Authors of publication: Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5222 - 5228
• a: 9.6738 ± 0.0003 Å
• b: 30.2229 ± 0.0009 Å
• c: 15.8238 ± 0.0005 Å
• α: 90°
• β: 97.995 ± 0.001°
• γ: 90°
• Cell volume: 4581.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No