Information card for entry 4336947

Structure parameters

• Formula: C23 H45 N3 Ni O2
• Calculated formula: C23 H45 N3 Ni O2
• SMILES: [Ni]1(O[N]21C(C)(C)CCCC2(C)C)(ON1C(C)(C)CCCC1(C)C)C#[N]C(C)(C)C
• Title of publication: Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity
• Authors of publication: Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13882 - 13893
• a: 7.7242 ± 0.0003 Å
• b: 21.8142 ± 0.0008 Å
• c: 15.2535 ± 0.0006 Å
• α: 90°
• β: 92.041 ± 0.007°
• γ: 90°
• Cell volume: 2568.54 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No