Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325170
Preview
Coordinates | 4325170.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H36 Cl3 F6 N5 O P Re |
---|---|
Calculated formula | C40 H36 Cl3 F6 N5 O P Re |
SMILES | [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C#[N]c1ccc(cc1)Cl)(C#[N]c1ccc(cc1)Cl)(C#[N]c1ccc(cc1)Cl)C#[O].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes |
Authors of publication | Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4798 - 4810 |
a | 14.4834 ± 0.0004 Å |
b | 23.01 ± 0.0007 Å |
c | 14.6848 ± 0.0007 Å |
α | 90° |
β | 96.219 ± 0.003° |
γ | 90° |
Cell volume | 4865.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.5418 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/4325170.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.