Information card for entry 4336948

Structure parameters

• Formula: C26 H42 N2 Ni O2
• Calculated formula: C26 H42 N2 Ni O2
• SMILES: [Ni]1(O[N]21C(C)(C)CCCC2(C)C)(O[NH+]1C(C)(C)CCCC1(C)C)C#Cc1ccccc1
• 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: 8.3519 ± 0.0003 Å
• b: 12.3164 ± 0.0004 Å
• c: 14.5401 ± 0.0005 Å
• α: 111.558 ± 0.0005°
• β: 95.888 ± 0.0005°
• γ: 107.73 ± 0.0004°
• Cell volume: 1285.55 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0225
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No