Information card for entry 7705917

Structure parameters

• Formula: C32 H32 B Cl2 F2 N5 Zn
• Calculated formula: C32 H32 B Cl2 F2 N5 Zn
• SMILES: [Zn]12([n]3ccccc3C[N]2(Cc2[n]1cccc2)Cc1ccc(cc1)C1=c2[n]([B](n3c1c(cc3C)C)(F)F)c(cc2C)C)(Cl)Cl
• Title of publication: BODIPY-linked cis-dichlorido zinc(ii) conjugates: the strategic design of organelle-specific next-generation theranostic photosensitizers.
• Authors of publication: Bhattacharyya, Arnab; Jameei, Aida; Saha, Rupak; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 103 - 115
• a: 9.2744 ± 0.0009 Å
• b: 9.748 ± 0.0009 Å
• c: 19.597 ± 0.0017 Å
• α: 89.105 ± 0.003°
• β: 85.816 ± 0.003°
• γ: 62.062 ± 0.003°
• Cell volume: 1560.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No