Information card for entry 4086096

Structure parameters

• Formula: C50 H53 N4 O2 P W2
• Calculated formula: C50 H53 N4 O2 P W2
• SMILES: [WH]1234([P]([W]5678(=NN=C(c9ccccc9)c9ccccc9)(=NN=C(c9ccccc9)c9ccccc9)[cH]9[cH]5[cH]6[cH]7[cH]89)(C5CCCCC5)C5CCCCC5)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Thermally Stable Diazoalkane Derivatives of the Unsaturated Ditungsten Hydride [W2Cp2(H)(μ-PCy2)(CO)2]
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Huergo, Estefanía; Ruiz, Miguel A.; Vega, M. Fernanda
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3833
• a: 10.1453 ± 0.0003 Å
• b: 31.5276 ± 0.0012 Å
• c: 15.2744 ± 0.0005 Å
• α: 90°
• β: 91.38 ± 0.003°
• γ: 90°
• Cell volume: 4884.2 ± 0.3 ų
• Cell temperature: 158 ± 5 K
• Ambient diffraction temperature: 158 ± 5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No