Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036673
Preview
| Coordinates | 7036673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3b |
|---|---|
| Formula | C56 H71 Cu F5 N2 P2 Sb |
| Calculated formula | C56 H71 Cu F5 N2 P2 Sb |
| SMILES | [Cu]12(C#[N][Sb](F)(F)(F)(F)F)[P](=C(c3[n]2c(C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions. |
| Authors of publication | Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2079 - 2084 |
| a | 16.0869 ± 0.0004 Å |
| b | 18.668 ± 0.0005 Å |
| c | 18.6526 ± 0.0005 Å |
| α | 90° |
| β | 95.9373 ± 0.0012° |
| γ | 90° |
| Cell volume | 5571.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0717 |
| Weighted residual factors for significantly intense reflections | 0.1763 |
| Weighted residual factors for all reflections included in the refinement | 0.1808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.75 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036673.cif |
| 176092 | 2016-02-05 | cif/ Updating files of 7036672, 7036673 Original log message: Adding full bibliography for 7036672--7036673.cif. |
7036673.cif |
| 158414 | 2015-09-26 | cif/ Adding structures of 7036672, 7036673 via cif-deposit CGI script. |
7036673.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.