Information card for entry 4336951

Structure parameters

• Formula: C23 H46 N2 Ni O2 Si
• Calculated formula: C23 H46 N2 Ni O2 Si
• SMILES: [Ni]1([N]2(O1)C(C)(C)CCCC2(C)C)(O[NH+]1C(C)(C)CCCC1(C)C)C#C[Si](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: 7.8725 ± 0.0003 Å
• b: 10.8105 ± 0.0004 Å
• c: 33.0125 ± 0.0013 Å
• α: 90°
• β: 93.253 ± 0.001°
• γ: 90°
• Cell volume: 2805.02 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No