Information card for entry 7030887

Structure parameters

• Formula: C28 H38 Li2 N4 O19 V2
• Calculated formula: C28 H38 Li2 N4 O19 V2
• SMILES: [V]12(OC(=N[N]2=Cc2ccccc2O1)c1c(O)cccc1)(=O)=O.[V]12(OC(=N[N]2=Cc2ccccc2O1)c1c(O)cccc1)(=O)=O.[Li]([OH2][Li]([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.
• Authors of publication: Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10139 - 10156
• a: 6.8227 ± 0.0002 Å
• b: 15.4441 ± 0.0006 Å
• c: 18.3454 ± 0.0007 Å
• α: 67.969 ± 0.002°
• β: 80.954 ± 0.002°
• γ: 89.346 ± 0.002°
• Cell volume: 1767.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No