Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227352
Preview
| Coordinates | 7227352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrin Cu(II)complex |
|---|---|
| Chemical name | 2-ethylcyanoacetate-12,13-dibromo-5,10,15,20-tetraphenylporphyrinatocopper(II) |
| Formula | C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 |
| Calculated formula | C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 |
| Title of publication | An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. |
| Authors of publication | Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 4530 - 4540 |
| a | 10.166 ± 0.002 Å |
| b | 13.696 ± 0.003 Å |
| c | 17.241 ± 0.003 Å |
| α | 104.5 ± 0.03° |
| β | 105.38 ± 0.03° |
| γ | 92.03 ± 0.03° |
| Cell volume | 2227.5 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1154 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.2206 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193914 (current) | 2017-03-05 | cif/ Updating files of 7227352, 7227353, 7227354 Original log message: Adding full bibliography for 7227352--7227354.cif. |
7227352.cif |
| 189875 | 2017-01-05 | cif/ Adding structures of 7227352, 7227353, 7227354 via cif-deposit CGI script. |
7227352.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.