Information card for entry 7235609

Structure parameters

• Formula: C92 H164 N2 O32 S2 V8
• Calculated formula: C92 H164 N2 O32 S2 V8
• Title of publication: Synthesis and characterization of a tetraradical-containing octanuclear vanadium cluster formed via ligand C‒N bond breaking and C‒O bond making
• Authors of publication: Ghorai, Samir; Mukherjee, Chandan
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 47
• Pages of publication: 24698
• a: 15.1675 ± 0.0012 Å
• b: 20.323 ± 0.002 Å
• c: 20.135 ± 0.003 Å
• α: 90°
• β: 111.855 ± 0.009°
• γ: 90°
• Cell volume: 5760.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No