Information card for entry 7056680

Structure parameters

• Formula: C30 H29 N6 Ni O3.75 S
• Calculated formula: C30 H29.606 N6 Ni O3.803 S
• Title of publication: Water-stable [Ni(salen)]-type electrode material based on phenylazosubstituted salicylic aldehyde imine ligand
• Authors of publication: Vereshchagin, Anatoliy A.; Sizov, Vladimir; Vlasov, Petr; Alekseeva, Elena V.; Konev, Alexander S.; Levin, Oleg V.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13918 - 13928
• a: 9.5639 ± 0.0005 Å
• b: 29.929 ± 0.0012 Å
• c: 10.7888 ± 0.0005 Å
• α: 90°
• β: 116.105 ± 0.006°
• γ: 90°
• Cell volume: 2773.1 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0634
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No