Information card for entry 4067371

Structure parameters

• Chemical name: tetrakis(o-methylthiophenoxy)germane
• Formula: C28 H28 Ge S4
• Calculated formula: C28 H28 Ge S4
• SMILES: [Ge](Sc1ccccc1C)(Sc1ccccc1C)(Sc1c(cccc1)C)Sc1c(cccc1)C
• 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: 7.414 ± 0.002 Å
• b: 25.203 ± 0.008 Å
• c: 14.182 ± 0.004 Å
• α: 90°
• β: 104.424 ± 0.003°
• γ: 90°
• Cell volume: 2566.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No