Information card for entry 4305033

Structure parameters

• Formula: C27 H24 Br N5 O6 S2 V2
• Calculated formula: C27 H24 Br N5 O6 S2 V2
• Title of publication: Coordination Asymmetry in Divanadium(V) Compounds Containing a V2O3 Core: Synthesis, Characterization, and Redox Properties
• Authors of publication: Pabitra Baran Chatterjee; Subhajit Bhattacharya; Anandalok Audhya; Ki-Young Choi; Akira Endo; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4891 - 4902
• a: 11.1599 ± 0.0006 Å
• b: 11.5448 ± 0.0007 Å
• c: 14.1841 ± 0.0008 Å
• α: 81.39 ± 0.001°
• β: 67.001 ± 0.001°
• γ: 63.181 ± 0.001°
• Cell volume: 1500.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No