Information card for entry 4081213

Structure parameters

• Formula: C29 H34 Ge O2 Si W
• Calculated formula: C29 H34 Ge O2 Si W
• SMILES: [W]12345([Ge]([C]1#C[Si](C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes
• Authors of publication: Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5038
• a: 11.654 ± 0.003 Å
• b: 18.836 ± 0.005 Å
• c: 12.897 ± 0.004 Å
• α: 90°
• β: 92.46 ± 0.005°
• γ: 90°
• Cell volume: 2828.5 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0207
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No