Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217986
Preview
| Coordinates | 7217986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II) |
|---|---|
| Formula | C10 H16 Br2 Ge P2 |
| Calculated formula | C10 H16 Br2 Ge P2 |
| SMILES | C[P]1(C)c2ccccc2[P](C)(C)[Ge]1Br.[Br-] |
| Title of publication | Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction |
| Authors of publication | Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 35 |
| Pages of publication | 8169 |
| a | 25.79 ± 0.1 Å |
| b | 7.17 ± 0.03 Å |
| c | 14.06 ± 0.05 Å |
| α | 90° |
| β | 92.24 ± 0.08° |
| γ | 90° |
| Cell volume | 2598 ± 17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Cell measurement pressure | 4100000 kPa |
| Ambient diffracton pressure | 4100000 kPa |
| Number of distinct elements | 5 |
| 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 | 0.178 |
| Residual factor for significantly intense reflections | 0.1146 |
| Weighted residual factors for significantly intense reflections | 0.2847 |
| Weighted residual factors for all reflections included in the refinement | 0.3481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7217986.cif |
| 180510 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/79. |
7217986.cif |
| 123192 | 2014-09-07 | cif/ Adding structures of 7217975, 7217976, 7217977, 7217978, 7217979, 7217980, 7217981, 7217982, 7217983, 7217984, 7217985, 7217986, 7217987, 7217988, 7217989 via cif-deposit CGI script. |
7217986.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.