Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082914
Preview
Coordinates | 4082914.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H36 N2 O3 P Re |
---|---|
Calculated formula | C21 H36 N2 O3 P Re |
Title of publication | Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States |
Authors of publication | Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1672 |
a | 12.611 ± 0.0009 Å |
b | 14.4089 ± 0.0006 Å |
c | 13.2183 ± 0.0005 Å |
α | 90° |
β | 107.281 ± 0.004° |
γ | 90° |
Cell volume | 2293.5 ± 0.2 Å3 |
Cell temperature | 150 ± 0.02 K |
Ambient diffraction temperature | 150 ± 0.02 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 | 0.043 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CU-Kα |
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/4082914.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.