Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7107917
Preview
Coordinates | 7107917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H22 Cl N O3 P Re |
---|---|
Calculated formula | C28 H22 Cl N O3 P Re |
SMILES | [Re]1([P@@]2(C(=C3CCCCC3=C2c2ccccc2)c2[n]1cccc2)c1ccccc1)(C#[O])(C#[O])(C#[O])Cl |
Title of publication | Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties |
Authors of publication | Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6705 |
a | 10.6088 ± 0.0009 Å |
b | 15.04 ± 0.0013 Å |
c | 16.0365 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2558.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0505 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
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/7107917.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.