Information card for entry 4066909

Structure parameters

• Chemical name: [Trans-(butadiynyl)bis{1,2-bis(diphenylphosphino)ethane}carbonyltungstate] tetrabuthylammonium
• Formula: C73 H85 N O P4 W
• Calculated formula: C73 H85 N O P4 W
• SMILES: C(#[O])[W]12(C#CC#C)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 12.2029 ± 0.0009 Å
• b: 21.5463 ± 0.0009 Å
• c: 25.0892 ± 0.0012 Å
• α: 77.567 ± 0.004°
• β: 88.606 ± 0.005°
• γ: 89.185 ± 0.004°
• Cell volume: 6439.8 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2276
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.619
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No