Information card for entry 7225662

Structure parameters

• Formula: C48 H30 F16 N6 O8 S2 Zn
• Calculated formula: C48 H30 F16 N6 O8 S2 Zn
• SMILES: c12=C(c3ccc4C(=c5ccc6[n]5[Zn]5([n]2c(cc1)C(=c1ccc(=C6c2c(F)c(F)c(F)c(F)c2F)n51)c1cc[n+](cc1)C)(n34)([OH]C)[OH]C)c1cc[n+](cc1)C)c1c(F)c(F)c(F)c(F)c1F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins
• Authors of publication: Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.1236 ± 0.0004 Å
• b: 14.0611 ± 0.0007 Å
• c: 19.6345 ± 0.001 Å
• α: 90°
• β: 100.751 ± 0.001°
• γ: 90°
• Cell volume: 2474.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No