Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069251
Preview
Coordinates | 4069251.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | trans-(o-DMTTF)2(PSPh)2 |
---|---|
Formula | C28 H22 O2 P2 S10 |
Calculated formula | C28 H22 O P2 S10 |
Title of publication | Rigid Bis(tetrathiafulvalenes) Doubly Bridged by Phosphino Groups and Derivatives: Synthesis and Intramolecular Mixed Valence State |
Authors of publication | Danila, Ion; Biaso, Frédéric; Sidorenkova, Helena; Geoffroy, Michel; Fourmigué, Marc; Levillain, E.; Avarvari, Narcis |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3691 |
a | 46.8281 ± 0.0009 Å |
b | 10.7262 ± 0.0011 Å |
c | 15.665 ± 0.003 Å |
α | 90° |
β | 107.501 ± 0.008° |
γ | 90° |
Cell volume | 7504.1 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.147 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.1809 |
Weighted residual factors for all reflections included in the refinement | 0.2138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4069251.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.