Information card for entry 4301355

Structure parameters

• Formula: C26 H16 Cl4 N4 O6 V2
• Calculated formula: C26 H16 Cl4 N4 O6 V2
• SMILES: [V]12([n]3ccccc3c3cccc[n]13)(Oc1c(O2)c(c2O[V]3([n]4ccccc4c4cccc[n]34)(=O)(Oc2c1Cl)Cl)Cl)(=O)Cl
• Title of publication: Vanadium-Induced Nucleophilic IPSO Substitutions in a Coordinated Tetrachlorosemiquinone Ring: Formation of the Chloranilate Anion as a Bridging Ligand
• Authors of publication: Pabitra Baran Chatterjee; Kisholoy Bhattacharya; Nabanita Kundu; Ki-Young Choi; Rodolphe Clérac; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 804 - 806
• a: 6.873 ± 0.002 Å
• b: 8.512 ± 0.003 Å
• c: 13.076 ± 0.004 Å
• α: 98.602 ± 0.006°
• β: 95.049 ± 0.006°
• γ: 105.828 ± 0.006°
• Cell volume: 721 ± 0.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No