Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067371
Preview
| Coordinates | 4067371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067371.cif |
| 178564 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73. |
4067371.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067371.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067371.cif |
| 34178 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067368, 4067369, 4067370, 4067371, 4067372, 4067373 via cif-deposit CGI script. |
4067371.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.