Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027605
Preview
Coordinates | 7027605.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H56 Cl2 Fe2 N12 O14 |
---|---|
Calculated formula | C44 H52 Cl2 Fe2 N12 O14 |
Title of publication | Clusters in bis-tridentate tethered domains of an iron chelating drug † |
Authors of publication | Henderson, William; Koh, Lip L.; Ranford, John D.; Robinson, Ward T.; Svensson, Jan O.; Vittal, Jagadese J.; Wang, Yu M.; Xu, Yan |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 19 |
Pages of publication | 3341 |
a | 11.9265 ± 0.0003 Å |
b | 13.6996 ± 0.0003 Å |
c | 18.6798 ± 0.0002 Å |
α | 72.145 ± 0.001° |
β | 85.219 ± 0.001° |
γ | 87.09 ± 0.001° |
Cell volume | 2893.93 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1308 |
Residual factor for significantly intense reflections | 0.0889 |
Weighted residual factors for significantly intense reflections | 0.2311 |
Weighted residual factors for all reflections included in the refinement | 0.2608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7027605.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.