Information card for entry 7016102

Structure parameters

• Formula: C23 H28 N4 O6 V
• Calculated formula: C23 H28 N4 O6 V
• SMILES: [V]123(=O)(Oc4c(ncc(c4C=[N]1CCc1[nH]c4ccccc4[n]31)CO)C)OC(=CC(=[O]2)C)C.OC
• Title of publication: Synthesis, characterization, reactivity and catalytic activity of oxidovanadium(iv), oxidovanadium(v) and dioxidovanadium(v) complexes of benzimidazole modified ligands.
• Authors of publication: Maurya, Mannar R.; Bisht, Manisha; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Pessoa, João Costa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6968 - 6983
• a: 11.9158 ± 0.0008 Å
• b: 16.1483 ± 0.0012 Å
• c: 12.7891 ± 0.0009 Å
• α: 90°
• β: 99.84 ± 0.004°
• γ: 90°
• Cell volume: 2424.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No