Information card for entry 7701877

Structure parameters

• Formula: C14 H14 Cl2 Cu N2 O2
• Calculated formula: C14 H14 Cl2 Cu N2 O2
• 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: 7.5026 ± 0.0008 Å
• b: 7.5541 ± 0.0009 Å
• c: 8.0228 ± 0.001 Å
• α: 98.797 ± 0.01°
• β: 110.504 ± 0.011°
• γ: 109.976 ± 0.01°
• Cell volume: 380.59 ± 0.1 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: 0.0476
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No