Information card for entry 4000278

Structure parameters

• Formula: C36 H30 O6 W
• Calculated formula: C36 H30 O6 W
• SMILES: c1ccc(cc1)O[W](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Tungsten Oxide Coatings from the Aerosol-Assisted Chemical Vapor Deposition of W(OAr)6 (Ar = C6H5, C6H4F-4, C6H3F2-3,4); Photocatalytically Active γ-WO3 Films
• Authors of publication: Cross, Warren B.; Parkin, Ivan P.; O'Neill, Shane A.; Williams, Paul A.; Mahon, Mary F.; Molloy, Kieran C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2786 - 2796
• a: 13.702 ± 0.001 Å
• b: 16.163 ± 0.002 Å
• c: 13.893 ± 0.001 Å
• α: 90°
• β: 90.39 ± 0.01°
• γ: 90°
• Cell volume: 3076.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0889
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.0952
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No