Information card for entry 7249644

Structure parameters

• Formula: C18 H32 Cu2 N8 O10
• Calculated formula: C18 H32 Cu2 N8 O10
• Title of publication: Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
• Authors of publication: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.61755 ± 0.00019 Å
• b: 8.61755 ± 0.00019 Å
• c: 30.5882 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1967.22 ± 0.07 ų
• Cell temperature: 270 ± 1 K
• Ambient diffraction temperature: 270.15 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No