Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080804
Preview
Coordinates | 4080804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H25 Fe2 P S |
---|---|
Calculated formula | C30 H25 Fe2 P S |
SMILES | C1(=CC=C([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)P1(c1ccccc1)=S)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12 |
Title of publication | Synthesis and (Spectro)electrochemical Behavior of 2,5-Diferrocenyl-1-phenyl-1H-phosphole |
Authors of publication | Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Low, Paul J.; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 2993 |
a | 7.5138 ± 0.0006 Å |
b | 16.1833 ± 0.0017 Å |
c | 19.668 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2391.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0953 |
Residual factor for significantly intense reflections | 0.0871 |
Weighted residual factors for significantly intense reflections | 0.2106 |
Weighted residual factors for all reflections included in the refinement | 0.2236 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4080804.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.