Information card for entry 2006397

Structure parameters

• Chemical name: Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W)
• Formula: C17 H16 O3 W2
• Calculated formula: C17 H16 O3 W2
• SMILES: [W]123(C#[O])([cH]45)([cH]46)([cH]54)([cH]45)([cH]56)C(=O)[W]14(=O)([cH]15)([cH]16)([cH]51)([cH]15)([cH]56)C=CC[C]24=C3
• Title of publication: Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)
• Authors of publication: Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1018 - 1020
• a: 8.646 ± 0.0011 Å
• b: 10.849 ± 0.0013 Å
• c: 15.96 ± 0.0002 Å
• α: 90°
• β: 95.48 ± 0.02°
• γ: 90°
• Cell volume: 1490.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No