Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7104285
Preview
Coordinates | 7104285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H19 Cl F6 N9 O P V |
---|---|
Calculated formula | C30 H16 Cl F6 N9 O P V |
SMILES | [V]12(Cl)(=O)([n]3cccc4c5nccnc5c5ccc[n]1c5c34)[n]1cccc3c4nccnc4c4ccc[n]2c4c13.[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Oxovanadium(IV)-based near-IR PDT agents: design to biological evaluation. |
Authors of publication | Sasmal, Pijus K; Saha, Sounik; Majumdar, Ritankar; Dighe, Rajan R; Chakravarty, Akhil R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 13 |
Pages of publication | 1703 - 1705 |
a | 11.087 ± 0.007 Å |
b | 12.192 ± 0.007 Å |
c | 12.471 ± 0.008 Å |
α | 68.222 ± 0.009° |
β | 81.92 ± 0.01° |
γ | 87.459 ± 0.01° |
Cell volume | 1549.9 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1475 |
Residual factor for significantly intense reflections | 0.0934 |
Weighted residual factors for significantly intense reflections | 0.254 |
Weighted residual factors for all reflections included in the refinement | 0.2896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7104285.html
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.