Information card for entry 7719549

Structure parameters

• Formula: C22 H36 N2 O11 S3 V2
• Calculated formula: C22.0006 H36.0018 N2 O11.0003 S3.0003 V2
• Title of publication: Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.
• Authors of publication: Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 15400 - 15405
• a: 12.9058 ± 0.0009 Å
• b: 18.0637 ± 0.001 Å
• c: 14.451 ± 0.001 Å
• α: 90°
• β: 110.602 ± 0.002°
• γ: 90°
• Cell volume: 3153.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No