Information card for entry 4104154

Structure parameters

• Chemical name: Dodeca-methoxo-hepta-oxo-hexa-vanadium-hexochloroantimonat
• Formula: C12 H35 Cl8 O19 Sb V6
• Calculated formula: C12 H35 Cl8 O19 Sb V6
• SMILES: [V]1234(O[V]567(=O)[O]([V]89(=O)([O]2C)[O]([V]2%10(=O)([O]3C)[O]([V]3(=O)([O]4C)([O]6C)[O]([V](=O)([O]7C)([O]8C)([O]2C)[O]159%103)C)C)C)C)=O.[Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.C(Cl)Cl
• Title of publication: A Mixed-Valence VIV/VV Alkoxo-polyoxovanadium Cluster Series [V6O8(OCH3)11]n+/-: Exploring the Influence of a μ-Oxo Ligand in a Spin Frustrated Structure
• Authors of publication: Charles Daniel; Hans Hartl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5101 - 5114
• a: 10.074 ± 0.002 Å
• b: 13.066 ± 0.003 Å
• c: 15.085 ± 0.003 Å
• α: 90.041 ± 0.005°
• β: 103.88 ± 0.005°
• γ: 91.872 ± 0.005°
• Cell volume: 1926.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No