Information card for entry 4066908

Structure parameters

• Chemical name: [trans-(trimethylsilylethynyl)bis{1,2-bis(diphenylphosphino)ethane}carbonyltungsten]
• Formula: C58 H57 O P4 Si W
• Calculated formula: C58 H57 O P4 Si W
• SMILES: [W]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#C[Si](C)(C)C
• Title of publication: [W(CO)(dppe)2] Cumulenylidene and Acetylide Complexes Accessed via Stannylated Acetylenes and Butadiynes
• Authors of publication: Semenov, Sergey N.; Blacque, Olivier; Fox, Thomas; Venkatesan, Koushik; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6321
• a: 11.6878 ± 0.0002 Å
• b: 12.7924 ± 0.0001 Å
• c: 17.6224 ± 0.0003 Å
• α: 87.9673 ± 0.0013°
• β: 78.0232 ± 0.0016°
• γ: 76.5809 ± 0.0013°
• Cell volume: 2506.87 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No