Information card for entry 4317855

Structure parameters

• Formula: C20 H20 Cl3 N4 O2 V
• Calculated formula: C24 H21 Cl2 N7 O4 V
• SMILES: [V]123(Cl)(=O)[N](Cc4[n]1c1ccccc1[nH]4)(Cc1[n]2c2ccccc2[nH]1)Cc1[n]3c2ccccc2[nH]1.[Cl-].O.O.O
• Title of publication: Mononuclear and Mixed-Valence Binuclear Oxovanadium Complexes with Benzimidazole-Derived Chelating Agents
• Authors of publication: Shyamali Ghosh; Kausik K. Nanda; Anthony W. Addison; Raymond J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2243 - 2249
• a: 7.981 ± 0.002 Å
• b: 9.842 ± 0.002 Å
• c: 18.473 ± 0.004 Å
• α: 74.864 ± 0.012°
• β: 78.91 ± 0.02°
• γ: 79.277 ± 0.014°
• Cell volume: 1360.3 ± 0.5 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: 0.1406
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.185
• Weighted residual factors for significantly intense reflections: 0.1429
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No