Information card for entry 7016562

Structure parameters

• Formula: C33 H43 Cl2 O3 P W2
• Calculated formula: C33 H43 Cl2 O3 P W2
• SMILES: [W]1234567([W]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(=O)(C3(O2)Cc1ccc(cc1)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41.C(Cl)Cl
• 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: 11.693 ± 0.004 Å
• b: 12.758 ± 0.005 Å
• c: 22.391 ± 0.008 Å
• α: 90°
• β: 102.867 ± 0.005°
• γ: 90°
• Cell volume: 3256 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No