Information card for entry 7701882

Structure parameters

• Formula: C11 H13 Cu N3 O3 S
• Calculated formula: C11 H13 Cu N3 O3 S
• Title of publication: Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties
• Authors of publication: Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 7.873 ± 0.0003 Å
• b: 14.0579 ± 0.0006 Å
• c: 12.7811 ± 0.0005 Å
• α: 90°
• β: 93.857 ± 0.004°
• γ: 90°
• Cell volume: 1411.38 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 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: 0.0658
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No