Information card for entry 7016561

Structure parameters

• Formula: C32 H41 O3 P W2
• Calculated formula: C32 H41 O3 P W2
• SMILES: [W]1234([P](C5CCCCC5)(C5CCCCC5)[W]5678(=O)(Cc9ccc(cc9)C)[cH]9[cH]6[cH]7[cH]8[cH]59)(C#[O])(C#[O])[cH]5[cH]1[cH]4[cH]3[cH]25
• Title of publication: C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O).
• Authors of publication: Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8294 - 8297
• a: 13.9983 ± 0.0006 Å
• b: 12.3286 ± 0.0006 Å
• c: 17.0691 ± 0.0009 Å
• α: 90°
• β: 92.294 ± 0.002°
• γ: 90°
• Cell volume: 2943.4 ± 0.2 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: 0.0879
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No