Information card for entry 7107104

Structure parameters

• Formula: C15 H45 P5 W
• Calculated formula: C15 H45 P5 W
• SMILES: [WH]1([P](C1)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)
• Authors of publication: Aaron Sattler; Gerard Parkin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12828
• a: 14.8321 ± 0.0004 Å
• b: 9.4806 ± 0.0003 Å
• c: 18.0198 ± 0.0005 Å
• α: 90°
• β: 106.687 ± 0.001°
• γ: 90°
• Cell volume: 2427.19 ± 0.12 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No