Information card for entry 4333435

Structure parameters

• Formula: C26 H21 N5 O4 S V
• Calculated formula: C26 H21 N5 O4 S V
• SMILES: [V]123([N](=Cc4c(O2)cccc4)[C@H](C(=O)O1)CCSC)(=O)[n]1c2c4[n]3cccc4c3nccnc3c2ccc1
• Title of publication: DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window
• Authors of publication: Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11112 - 11121
• a: 9.429 ± 0.008 Å
• b: 14.957 ± 0.012 Å
• c: 17.702 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No