Information card for entry 7030889

Structure parameters

• Formula: C14 H15 K N3 O6 V
• Calculated formula: C14 H15 K N3 O6 V
• SMILES: [V]12(OC(=N[N]2=C(C)c2ccccc2O1)c1ccncc1)(=O)=O.[K+].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: 11.688 ± 0.0004 Å
• b: 8.2858 ± 0.0002 Å
• c: 34.9484 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3384.56 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No