Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088955
Preview
Coordinates | 4088955.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 Cl Fe N O |
---|---|
Calculated formula | C12 H15.835 Cl Fe N O |
Title of publication | Synthesis, Characterization, and Biological Activity of Ferrocenyl Analogues of the Anthelmintic Drug Monepantel |
Authors of publication | Hess, Jeannine; Patra, Malay; Pierroz, Vanessa; Spingler, Bernhard; Jabbar, Abdul; Ferrari, Stefano; Gasser, Robin B.; Gasser, Gilles |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 19 |
Pages of publication | 3369 |
a | 13.8639 ± 0.0005 Å |
b | 19.0344 ± 0.0006 Å |
c | 9.5549 ± 0.0003 Å |
α | 90° |
β | 93.22 ± 0.003° |
γ | 90° |
Cell volume | 2517.47 ± 0.14 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0813 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1348 |
Weighted residual factors for all reflections included in the refinement | 0.1449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
237899 (current) | 2019-11-24 | cif/ Adding structures of 4088953, 4088954, 4088955 via cif-deposit CGI script. |
4088955.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.