Information card for entry 7038505

Structure parameters

• Formula: C33 H41 O2 P W2
• Calculated formula: C33 H41 O2 P W2
• SMILES: [W]1234567([W]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(C#[O])([C]3(=[CH2]2)c1ccc(cc1)C)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 9.378 ± 0.002 Å
• b: 21.148 ± 0.006 Å
• c: 14.8 ± 0.004 Å
• α: 90°
• β: 98.333 ± 0.004°
• γ: 90°
• Cell volume: 2904.2 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.1423
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No