Information card for entry 7016560

Structure parameters

• Formula: C41 H51 N2 O P W2
• Calculated formula: C41 H51 N2 O P W2
• SMILES: [W]123456([W]789%10([P]1(C1CCCCC1)C1CCCCC1)(C=2Nc1c(cccc1C)C)(C#[N]c1c(cccc1C)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 10.806 ± 0.003 Å
• b: 11.238 ± 0.003 Å
• c: 16.928 ± 0.006 Å
• α: 99.745 ± 0.018°
• β: 105.113 ± 0.018°
• γ: 105.295 ± 0.013°
• Cell volume: 1850.7 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1451
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No