Information card for entry 7701878

Structure parameters

• Formula: C13 H19 Cl2 Cu N3 O4
• Calculated formula: C13 H19 Cl2 Cu N3 O4
• 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: 8.0134 ± 0.0006 Å
• b: 8.764 ± 0.0007 Å
• c: 13.5581 ± 0.001 Å
• α: 71.195 ± 0.007°
• β: 80.719 ± 0.006°
• γ: 66.268 ± 0.008°
• Cell volume: 824.58 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No