Information card for entry 7038507

Structure parameters

• Formula: C30 H39 O6 P W2
• Calculated formula: C30 H39 O6 P W2
• SMILES: [W]1234567([W]89%10%11%12([P]1(C1CCCCC1)C1CCCCC1)([O]=C(OC)[CH]2=[C]38C(=O)OC)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5274 - 5289
• a: 10.6093 ± 0.0013 Å
• b: 15.7243 ± 0.0016 Å
• c: 19.131 ± 0.002 Å
• α: 90°
• β: 115.682 ± 0.007°
• γ: 90°
• Cell volume: 2876.2 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No