Information card for entry 7249645

Structure parameters

• Formula: C19.41 H30.22 Cu2 N8 O8.59
• Calculated formula: C19.406 H30.218 Cu2 N8 O8.594
• 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: 12.0896 ± 0.00008 Å
• b: 20.35323 ± 0.00015 Å
• c: 13.73806 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3380.42 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No