Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7046080
Preview
| Coordinates | 7046080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 17144z |
|---|---|
| Formula | C100 H96 B2 P6 Tl2 |
| Calculated formula | C100 H96 B2 P6 Tl2 |
| Title of publication | Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification. |
| Authors of publication | Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 17 |
| Pages of publication | 6166 - 6176 |
| a | 12.1041 ± 0.0018 Å |
| b | 18.327 ± 0.003 Å |
| c | 38.204 ± 0.005 Å |
| α | 90° |
| β | 92.754 ± 0.004° |
| γ | 90° |
| Cell volume | 8465 ± 2 Å3 |
| 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046080.cif |
| 229552 | 2019-11-17 | cif/ Updating files of 7046074, 7046075, 7046076, 7046077, 7046078, 7046079, 7046080, 7046081, 7046082, 7046083, 7046084, 7046085, 7046086, 7046087, 7046088, 7046089, 7046090 Original log message: Adding full bibliography for 7046074--7046090.cif. |
7046080.cif |
| 207386 | 2018-04-18 | cif/ Adding structures of 7046074, 7046075, 7046076, 7046077, 7046078, 7046079, 7046080, 7046081, 7046082, 7046083, 7046084, 7046085, 7046086, 7046087, 7046088, 7046089, 7046090 via cif-deposit CGI script. |
7046080.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.