Information card for entry 7044941

Structure parameters

• Formula: C26 H21 Cu N5 O3
• Calculated formula: C26 H21 Cu N5 O3
• SMILES: c12ccccc1[nH]c1c3cccc[n]3[Cu]34([n]21)[N](c1c(cccc1)O3)=Cc1c(cnc(c1O4)C)CO
• Title of publication: Targeted photodynamic therapy in visible light using BODIPY-appended copper(ii) complexes of a vitamin B₆ Schiff base.
• Authors of publication: Mukherjee, Nandini; Podder, Santosh; Mitra, Koushambi; Majumdar, Shamik; Nandi, Dipankar; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 823 - 835
• a: 14.291 ± 0.002 Å
• b: 13.296 ± 0.002 Å
• c: 12.436 ± 0.002 Å
• α: 90°
• β: 107.673 ± 0.004°
• γ: 90°
• Cell volume: 2251.5 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2352
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No