Information card for entry 7717898

Structure parameters

• Formula: C38 H42 F6 N8 Ni O10 S2
• Calculated formula: C38 H42 F6 N8 Ni O10 S2
• Title of publication: Nickel(II) complexes with covalently attached quinols rely on ligand-derived redox couples to catalyze superoxide dismutation.
• Authors of publication: Boothe, Robert; Oppelt, Julian; Franke, Alicja; Moore, Jamonica L.; Squarcina, Andrea; Zahl, Achim; Senft, Laura; Kellner, Ina; Awalah, Akudo L.; Bradford, Alisabeth; Obisesan, Segun V.; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3733 - 3749
• a: 12.8113 ± 0.0006 Å
• b: 17.4024 ± 0.0009 Å
• c: 20.1442 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4491.1 ± 0.4 ų
• Cell temperature: 180.45 K
• Ambient diffraction temperature: 180.45 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No