Information card for entry 7226871

Structure parameters

• Formula: C21 H24 Cl2 Cu N3 O0.5
• Calculated formula: C21 H24 Cl2 Cu N3 O0.5
• SMILES: C1c2cccc[n]2[Cu]2([N]1(Cc1cccc[n]21)Cc1ccccc1)(Cl)Cl.C(C)OCC
• Title of publication: BODIPY appended copper(II) complexes for cellular imaging and singlet oxygen mediated anticancer activity in visible light
• Authors of publication: Chakravarty, Akhil R.; Bhattacharyya, Arnab; Dixit, Akanksha; Banerjee, Samya; Roy, Bijan; Kumar, Arun; Karande, Anjali A.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.2974 ± 0.0015 Å
• b: 12.0853 ± 0.0011 Å
• c: 21.305 ± 0.002 Å
• α: 90°
• β: 93.339 ± 0.003°
• γ: 90°
• Cell volume: 4189.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No