Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085072
Preview
| Coordinates | 4085072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H91 B2 Br F24 P2 Pt |
|---|---|
| Calculated formula | C78 H91 B2 Br F24 P2 Pt |
| SMILES | [Pt](Br)(=Bc1c(c(cc(c1C)C)C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes |
| Authors of publication | Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2343 |
| a | 13.0971 ± 0.0009 Å |
| b | 17.3259 ± 0.0014 Å |
| c | 20.8371 ± 0.0015 Å |
| α | 71.694 ± 0.004° |
| β | 75.3 ± 0.004° |
| γ | 85.345 ± 0.004° |
| Cell volume | 4342.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178739 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50. |
4085072.cif |
| 140238 | 2015-07-05 | cif/ Updating files of 4085070, 4085071, 4085072, 4085073 Original log message: Adding full bibliography for 4085070--4085073.cif. |
4085072.cif |
| 128979 | 2014-12-21 | cif/ Adding structures of 4085070, 4085071, 4085072, 4085073 via cif-deposit CGI script. |
4085072.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.