Information card for entry 1516927

Structure parameters

• Formula: C28 H32 F6 Fe N3 O4 P V
• Calculated formula: C28 H30 F6 Fe N3 O4 P V
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C[N]12[V]3(=O)(OC(=CC(=[O]3)C)C)([n]3c(C2)cccc3)[n]2c(C1)cccc2.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Photoactivated DNA cleavage and anticancer activity of oxovanadium(IV) complexes of curcumin
• Authors of publication: Babu Balaji; Kumar Somyajit; Bhabatosh Banik; Ganesh Nagaraju; Akhil R. Chakravarty
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 142 - 150
• a: 10.437 ± 0.003 Å
• b: 13.099 ± 0.004 Å
• c: 13.77 ± 0.004 Å
• α: 71.356 ± 0.004°
• β: 69.014 ± 0.004°
• γ: 67.803 ± 0.004°
• Cell volume: 1590 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No