Information card for entry 7048560

Structure parameters

• Formula: C10 H10 N3 Na O5 S
• Calculated formula: C10 H10 N3 Na O5 S
• SMILES: c1(ccccc1N/N=C(\C(=O)N)C(=O)C)S(=O)(=O)[O-].[Na+]
• 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: 5.9967 ± 0.0009 Å
• b: 28.244 ± 0.005 Å
• c: 7.6942 ± 0.0012 Å
• α: 90°
• β: 111.292 ± 0.005°
• γ: 90°
• Cell volume: 1214.2 ± 0.3 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: 0.0511
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No