Information card for entry 4340541

Structure parameters

• Chemical name: Tris(η^4^-o-phenylenedimethylene)tungsten(VI)
• Formula: C24 H24 W
• Calculated formula: C24 H24 W
• SMILES: [W]123456789([CH2]=[C]%101[C]2(C=CC=C%10)=[CH2]3)([CH2]=[C]14C=CC=C[C]51=[CH2]6)[CH2]=[C]17C=CC=C[C]81=[CH2]9
• Title of publication: X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge.
• Authors of publication: Jayarathne, Upul; Chandrasekaran, Perumalreddy; Greene, Angelique F.; Mague, Joel T.; DeBeer, Serena; Lancaster, Kyle M.; Sproules, Stephen; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8230 - 8241
• a: 6.8375 ± 0.0004 Å
• b: 11.1829 ± 0.0006 Å
• c: 11.8409 ± 0.0006 Å
• α: 105.1 ± 0.001°
• β: 92.924 ± 0.001°
• γ: 90.392 ± 0.001°
• Cell volume: 872.8 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No