Information card for entry 4323497

Structure parameters

• Common name: trans, mer bis(tricyclohexanophosphine)tricarbonylethylenetungsten
• Formula: C41 H70 O3 P2 W
• Calculated formula: C41 H70 O3 P2 W
• SMILES: [W]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)(C#[O])(C#[O])(C#[O])[CH2]=[CH2]1
• Title of publication: Comparison of H-H versus Si-H σ-Bond Coordination and Activation on 16e Metal Fragments. Organosilane, N2, and Ethylene Addition to the Agostic Complex W(CO)3(PR3)2 and Dynamic NMR Behavior of the Latter
• Authors of publication: Matthew D. Butts; Jeffrey C. Bryan; Xiao-Liang Luo; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3341 - 3353
• a: 11.25 ± 0.005 Å
• b: 12.716 ± 0.006 Å
• c: 14.458 ± 0.006 Å
• α: 87.01 ± 0.04°
• β: 81.03 ± 0.03°
• γ: 74.04 ± 0.03°
• Cell volume: 1964.2 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0576
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No