Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7109834
Preview
Coordinates | 7109834.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 B2 Co F8 N6 |
---|---|
Calculated formula | C29 H32 B2 Co F8 N6 |
SMILES | [Co]1234([n]5c(C[N]3(CC[N]1(Cc1[n]4cccc1)Cc1ccccc1)Cc1[n]2cccc1)cccc5)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes |
Authors of publication | Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 9455 |
a | 11.1909 ± 0.0003 Å |
b | 23.6444 ± 0.0007 Å |
c | 12.9931 ± 0.0004 Å |
α | 90° |
β | 112.386 ± 0.002° |
γ | 90° |
Cell volume | 3178.91 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0759 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1827 |
Weighted residual factors for all reflections included in the refinement | 0.1947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/7109834.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.