Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027156
Preview
Coordinates | 7027156.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2,5-Bis(1-phenylimonoethyl)pyrazine |
---|---|
Chemical name | 2,5-Bis(1-phenyliminoethyl)pyrazine |
Formula | C20 H18 N4 |
Calculated formula | C20 H18 N4 |
SMILES | c1ccccc1/N=C(c1ncc(/C(=N/c2ccccc2)C)nc1)\C |
Title of publication | 2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal‒metal bridging acceptor ligand and its homodinuclear complexes with low-valent metal centres |
Authors of publication | Klein, Axel; Kasack, Volker; Reinhardt, Ralf; Sixt, Torsten; Scheiring, Thomas; Zalis, Stanislav; Fiedler, Jan; Kaim, Wolfgang |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 4 |
Pages of publication | 575 |
a | 6.3013 ± 0.0004 Å |
b | 7.8308 ± 0.0007 Å |
c | 33.242 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1640.3 ± 0.2 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for all reflections | 0.1449 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Goodness-of-fit parameter for all reflections | 1.046 |
Goodness-of-fit parameter for significantly intense reflections | 1.11 |
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/7027156.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.