Information card for entry 7060859

Structure parameters

• Chemical name: [Ni(ThioSalEn)]
• Formula: C12 H10 N2 Ni O2 S2
• Calculated formula: C12 H10 N2 Ni O2 S2
• Title of publication: Non-sterical stabilization of one-electron-oxidized NiSalen complex by thiophene core
• Authors of publication: Lukyanov, Daniil A.; Vereshchagin, Anatoliy A.; Sizov, Vladimir V.; Kalnin, Arseniy Y.; Novoselova, Julia V.; Alekseeva, Elena V.; Levin, Oleg V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14425 - 14431
• a: 18.6136 ± 0.0006 Å
• b: 7.44583 ± 0.00019 Å
• c: 19.8695 ± 0.0007 Å
• α: 90°
• β: 113.068 ± 0.004°
• γ: 90°
• Cell volume: 2533.6 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No