Information card for entry 4081217

Structure parameters

• Formula: C34 H44 Ge O3 W
• Calculated formula: C34 H44 Ge O3 W
• SMILES: [W]1234(#CC([Ge](OC(C)(C)C)(c5ccccc5)c5ccccc5)C(C)(C)C)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)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: 8.891 ± 0.002 Å
• b: 21.239 ± 0.005 Å
• c: 18.458 ± 0.005 Å
• α: 90°
• β: 93.292 ± 0.004°
• γ: 90°
• Cell volume: 3479.8 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No