Information card for entry 4067370

Structure parameters

• Chemical name: tetrakis(o-methoxythiophenoxy)germane
• Formula: C28 H28 Ge O4 S4
• Calculated formula: C28 H28 Ge O4 S4
• SMILES: [Ge](Sc1ccccc1OC)(Sc1ccccc1OC)(Sc1ccccc1OC)Sc1ccccc1OC
• Title of publication: Use of73Ge NMR Spectroscopy and X-ray Crystallography for the Study of Electronic Interactions in Substituted Tetrakis(phenyl)-, -(phenoxy)-, and -(thiophenoxy)germanes
• Authors of publication: Yoder, Claude H.; Agee, Tamara M.; Griffith, Allison K.; Schaeffer, Charles D.; Carroll, Mary J.; DeToma, Alaina S.; Fleisher, Adam J.; Gettel, Cameron J.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 582
• a: 18.619 ± 0.002 Å
• b: 7.7442 ± 0.0009 Å
• c: 19.302 ± 0.002 Å
• α: 90°
• β: 101.55 ± 0.007°
• γ: 90°
• Cell volume: 2726.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No