Information card for entry 7039177

Structure parameters

• Formula: C46.5 H82 O12 W2
• Calculated formula: C46.5 H82 O12 W2
• Title of publication: Synthesis and evaluation of κ(2)-β-diketonate and β-ketoesterate tungsten(vi) oxo-alkoxide complexes as precursors for chemical vapor deposition of WOx thin films.
• Authors of publication: Bonsu, Richard O.; Bock, Duane C.; Kim, Hankook; Korotkov, Roman Y.; Abboud, Khalil A.; Anderson, Timothy J.; McElwee-White, Lisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10897 - 10908
• a: 18.4587 ± 0.0008 Å
• b: 15.2076 ± 0.0007 Å
• c: 19.577 ± 0.0008 Å
• α: 90°
• β: 104.214 ± 0.0007°
• γ: 90°
• Cell volume: 5327.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No