Information card for entry 4332153

Structure parameters

• Formula: C38 H34 O4 W
• Calculated formula: C38 H34 O4 W
• SMILES: [W]1234([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)(C(=C3c1ccccc1)c1ccccc1)C(=C4c1ccccc1)c1ccccc1
• Title of publication: Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes
• Authors of publication: Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6205 - 6213
• a: 9.5452 ± 0.0002 Å
• b: 9.8972 ± 0.0002 Å
• c: 16.9294 ± 0.0004 Å
• α: 98.517 ± 0.001°
• β: 91.869 ± 0.001°
• γ: 91.631 ± 0.001°
• Cell volume: 1579.96 ± 0.06 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No