Information card for entry 4068179

Structure parameters

• Formula: C17 H32 Ge O2 Si3 W
• Calculated formula: C17 H32 Ge O2 Si3 W
• SMILES: C([Ge]#[W]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Metal Activation of a Germylenoid, a New Approach to Metal‒Germanium Triple Bonds: Synthesis and Reactions of the Germylidyne Complexes [Cp(CO)2M≡Ge‒C(SiMe3)3] (M = Mo, W)
• Authors of publication: Filippou, Alexander C.; Stumpf, Kai W.; Chernov, Oleg; Schnakenburg, Gregor
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 748
• a: 9.0559 ± 0.0003 Å
• b: 22.417 ± 0.0009 Å
• c: 11.5366 ± 0.0003 Å
• α: 90°
• β: 92.938 ± 0.002°
• γ: 90°
• Cell volume: 2338.92 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0485
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No