Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7001368
Preview
Coordinates | 7001368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 Fe N |
---|---|
Calculated formula | C27 H23 Fe N |
SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)/C(=C(\c1ccccc1)c1ccc(C#N)cc1)CC |
Title of publication | Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds |
Authors of publication | Zekri, Ouardia; Hillard, Elizabeth A.; Top, Siden; Vessières, Anne; Pigeon, Pascal; Plamont, Marie-Aude; Huché, Michel; Boutamine, Sultana; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 22 |
Pages of publication | 4318 - 4326 |
a | 9.2142 ± 0.0007 Å |
b | 10.3767 ± 0.0008 Å |
c | 11.681 ± 0.0009 Å |
α | 77.883 ± 0.001° |
β | 68.208 ± 0.001° |
γ | 88.593 ± 0.001° |
Cell volume | 1012.18 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0346 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7001368.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.