Information card for entry 7121539

Structure parameters

• Common name: matlv04
• Formula: C14 H42 O19 Ti2 V4
• Calculated formula: C14 H42 O19 Ti2 V4
• Title of publication: Site-selectivity in the halogenation of titanium-functionalized polyoxovanadate-alkoxide clusters.
• Authors of publication: VanGelder, L. E.; Forrestel, P. L.; Brennessel, W. W.; Matson, E. M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6839 - 6842
• a: 10.2851 ± 0.001 Å
• b: 24.103 ± 0.002 Å
• c: 12.028 ± 0.0012 Å
• α: 90°
• β: 92.176 ± 0.002°
• γ: 90°
• Cell volume: 2979.6 ± 0.5 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No