Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347170
Preview
| Coordinates | 4347170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H150 Mg N8 O39 |
|---|---|
| Calculated formula | C120 H150 Mg N8 O39 |
| Title of publication | A Molecular Chameleon: Reversible pH- and Cation-Induced Control of the Optical Properties of Phthalocyanine-Based Complexes in the Visible and Near-Infrared Spectral Ranges. |
| Authors of publication | Safonova, Evgeniya A.; Martynov, Alexander G.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 2450 - 2459 |
| a | 15.27 ± 0.002 Å |
| b | 28.15 ± 0.004 Å |
| c | 15.629 ± 0.002 Å |
| α | 90° |
| β | 105.604 ± 0.002° |
| γ | 90° |
| Cell volume | 6470.5 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2116 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.2206 |
| Weighted residual factors for all reflections included in the refinement | 0.2888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232200 (current) | 2019-11-23 | cif/ Adding structures of 4347170 via cif-deposit CGI script. |
4347170.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.