Information card for entry 4314624

Structure parameters

• Formula: C28 H31 Cl2 N7 O5 V
• Calculated formula: C28 H23 Cl2 N7 O5 V
• SMILES: [V]123(=O)([n]4cccc5ccc6ccc[n]1c6c45)[n]1c4ccccc4[nH]c1C[NH]2Cc1[n]3c2ccccc2[nH]1.[Cl-].[Cl-].O.O.O.O
• Title of publication: Photocytotoxic Oxovanadium(IV) Complexes Showing Light-Induced DNA and Protein Cleavage Activity
• Authors of publication: Pijus K. Sasmal; Sounik Saha; Ritankar Majumdar; Rajan R. Dighe; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 849 - 859
• a: 10.411 ± 0.004 Å
• b: 12.732 ± 0.005 Å
• c: 12.961 ± 0.005 Å
• α: 113.664 ± 0.006°
• β: 93.486 ± 0.007°
• γ: 90.775 ± 0.007°
• Cell volume: 1569.3 ± 1.1 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: 0.2124
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2656
• Weighted residual factors for all reflections included in the refinement: 0.3309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No