Information card for entry 7043444

Structure parameters

• Formula: C15 H9 Cl2 Cu N3 O S2
• Calculated formula: C15 H9 Cl2 Cu N3 O S2
• SMILES: c1csc2c3cc(cc4c5[n](ccs5)[Cu]([n]12)([n]34)(Cl)Cl)c1ccco1
• Title of publication: Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity
• Authors of publication: Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.8472 ± 0.0004 Å
• b: 10.354 ± 0.0006 Å
• c: 11.2776 ± 0.0007 Å
• α: 116.387 ± 0.006°
• β: 95.253 ± 0.005°
• γ: 90.856 ± 0.004°
• Cell volume: 815.8 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No