Information card for entry 7048561

Structure parameters

• Formula: C20 H32 N6 Na2 O18 S2
• Calculated formula: C20 H32 N6 Na2 O18 S2
• SMILES: CC(=[O]1)/C(C(=O)N)=N/Nc2cc(ccc2O)S(=O)(=O)O[Na]([OH2])([OH2])([OH2])[O]=C(C)/C(C(=O)N)=N/Nc2cc(ccc2O)S(=O)(=O)O[Na]1([OH2])([OH2])[OH2]
• Title of publication: Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.
• Authors of publication: Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1774 - 1785
• a: 6.9078 ± 0.0003 Å
• b: 27.7995 ± 0.0012 Å
• c: 8.5286 ± 0.0004 Å
• α: 90°
• β: 101.458 ± 0.002°
• γ: 90°
• Cell volume: 1605.14 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No