Information card for entry 4317854

Structure parameters

• Formula: C51 H48 F9 N14 O15 S3 V2
• Calculated formula: C51 H42 F9 N14 O15 S3 V2
• SMILES: [N]123[V](O[V]456([N](Cc7[n]4c4ccccc4[nH]7)(Cc4[n]5c5ccccc5[nH]4)Cc4[n]6c5ccccc5[nH]4)=O)(=O)([n]4c5ccccc5[nH]c4C1)([n]1c4ccccc4[nH]c1C2)[n]1c2ccccc2[nH]c1C3.C(S(=O)(=O)[O-])(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].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: 11.505 ± 0.002 Å
• b: 21.376 ± 0.004 Å
• c: 13.547 ± 0.002 Å
• α: 90°
• β: 109.274 ± 0.014°
• γ: 90°
• Cell volume: 3144.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2192
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections: 0.3172
• Weighted residual factors for significantly intense reflections: 0.2245
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No