Information card for entry 4066907

Structure parameters

• Chemical name: [trans-(phenylethynyl)bis{1,2-bis(diphenylphosphino)ethane}carbonyltungsten]
• Formula: C73 H65 O P4 W
• Calculated formula: C73 H65 O P4 W
• SMILES: [W]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccccc1)C#[O].c1ccccc1.c1ccccc1
• 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: 11.3842 ± 0.0001 Å
• b: 15.4538 ± 0.0002 Å
• c: 17.5602 ± 0.0002 Å
• α: 97.338 ± 0.001°
• β: 92.873 ± 0.001°
• γ: 104.678 ± 0.001°
• Cell volume: 2953.08 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No