Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081029
Preview
Coordinates | 4081029.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 Cl3 N5 O3 Re |
---|---|
Calculated formula | C14 H15 Cl3 N5 O3 Re |
Title of publication | Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes |
Authors of publication | Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3728 |
a | 10.8488 ± 0.0005 Å |
b | 11.4278 ± 0.0004 Å |
c | 16.6365 ± 0.0004 Å |
α | 90° |
β | 106.769 ± 0.004° |
γ | 90° |
Cell volume | 1974.85 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0583 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081029.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.