Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016312
Preview
Coordinates | 7016312.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | octamethylferrocene-dibromonaphthoquinone complex |
---|---|
Chemical name | octamethylferrocene-dibromonaphthoquinone complex |
Formula | C38 H32 Cl4 Fe O4 |
Calculated formula | C38 H32 Cl4 Fe O4 |
Title of publication | Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes. |
Authors of publication | Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 36 |
Pages of publication | 9221 - 9228 |
a | 13.8088 ± 0.001 Å |
b | 8.1646 ± 0.0006 Å |
c | 15.0981 ± 0.0011 Å |
α | 90° |
β | 95.989 ± 0.002° |
γ | 90° |
Cell volume | 1692.9 ± 0.2 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
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 | 0.0568 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1083 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/7016312.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.