Information card for entry 7045746

Structure parameters

• Formula: C37 H39 B Cl Cu F2 N5 O6
• Calculated formula: C37 H39 B Cl Cu F2 N5 O6
• Title of publication: Mitochondria-localizing BODIPY-copper(ii) conjugates for cellular imaging and photo-activated cytotoxicity forming singlet oxygen.
• Authors of publication: Bhattacharyya, Arnab; Jameei, Aida; Garai, Aditya; Saha, Rupak; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 5019 - 5030
• a: 23.5657 ± 0.0016 Å
• b: 13.4664 ± 0.0009 Å
• c: 12.537 ± 0.0009 Å
• α: 90°
• β: 90.732 ± 0.002°
• γ: 90°
• Cell volume: 3978.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No