Information card for entry 7108715

Structure parameters

• Formula: C90 Ba10 Br N18 O158 V48
• Calculated formula: C90 Ba10 Br N18 O158 V48
• Title of publication: Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster
• Authors of publication: Katharina Kastner; Bianka Puscher; Carsten Streb
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 140
• a: 34.779 ± 0.004 Å
• b: 38.186 ± 0.004 Å
• c: 47.98 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 63721 ± 12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No