Information card for entry 4301354

Structure parameters

• Formula: C16 H8 Cl5 N2 O3 V
• Calculated formula: C16 H8 Cl5 N2 O3 V
• 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: 8.1177 ± 0.0019 Å
• b: 9.394 ± 0.002 Å
• c: 13.531 ± 0.003 Å
• α: 96.038 ± 0.004°
• β: 92.073 ± 0.004°
• γ: 115.399 ± 0.004°
• Cell volume: 923.1 ± 0.4 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: 0.0915
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No