Information card for entry 7704070

Structure parameters

• Formula: C28 H70 Cl6 O26 V6 W3
• Calculated formula: C28 H70 Cl6 O26 V6 W3
• Title of publication: Site-selective halogenation of mixed-valent vanadium oxide clusters.
• Authors of publication: Maiola, Michela L.; Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16184 - 16192
• a: 10.7819 ± 0.0004 Å
• b: 15.5823 ± 0.0004 Å
• c: 16.9994 ± 0.0005 Å
• α: 81.532 ± 0.002°
• β: 87.046 ± 0.003°
• γ: 83.092 ± 0.003°
• Cell volume: 2802.71 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.128
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2861
• Weighted residual factors for all reflections included in the refinement: 0.3201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No