Information card for entry 7121540

Structure parameters

• Common name: matlv10
• Formula: C20 H54 Al Cl5 O19.5 Ti2 V4
• Calculated formula: C20 H53.75 Al1.0001 Cl5.0002 O19.5 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: 19.3992 ± 0.0019 Å
• b: 11.6179 ± 0.0011 Å
• c: 19.5185 ± 0.0019 Å
• α: 90°
• β: 96.728 ± 0.002°
• γ: 90°
• Cell volume: 4368.7 ± 0.7 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No