Information card for entry 4350835

Structure parameters

• Formula: C36 H41 N5 O9 V2
• Calculated formula: C36 H41 N5 O9 V2
• SMILES: [V]123(=O)(Oc4ccc(C)cc4N=[N]1c1c(cccc1)C(=O)O2)[O]1[V]2(=O)(Oc4ccc(C)cc4N=[N]2c2ccccc2C1=O)[O]3CC.[NH+](CC)(CC)CC
• Title of publication: Anionic Dinuclear Oxidovanadium(IV) Complexes with Azo Functionalized Tridentate Ligands and μ-Ethoxido Bridge Leading to an Unsymmetric Twisted Arrangement: Synthesis, X-ray Structure, Magnetic Properties, and Cytotoxicity
• Authors of publication: Satabdi Roy; Michael Böhme; Subhashree P. Dash; Monalisa Mohanty; Axel Buchholz; Winfried Plass; Sudarshana Majumder; Senthilguru Kulanthaivel; Indranil Banerjee; Hans Reuter; Werner Kaminsky; Rupam Dinda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2018
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 5767 - 5781
• a: 11.3507 ± 0.0007 Å
• b: 12.1801 ± 0.0008 Å
• c: 13.2 ± 0.0008 Å
• α: 89.234 ± 0.003°
• β: 89.231 ± 0.003°
• γ: 89.799 ± 0.003°
• Cell volume: 1824.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No