Information card for entry 7030890

Structure parameters

• Formula: C13 H17 N3 Na O8 V
• Calculated formula: C13 H17 N3 Na O8 V
• SMILES: [V]123(OC(=N[N]3=Cc3ccccc3O1)c1ccncc1)=[O][Na]1([OH2])([OH2])([OH2])[O]=2[Na]2([OH2])([OH2])([OH2])[O]1=[V]13(OC(=N[N]3=Cc3ccccc3O1)c1ccncc1)=[O]2.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: 7.7429 ± 0.0008 Å
• b: 10.3131 ± 0.001 Å
• c: 12.0373 ± 0.0013 Å
• α: 109.59 ± 0.006°
• β: 104.363 ± 0.005°
• γ: 92.983 ± 0.005°
• Cell volume: 867.59 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No