Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7103881
Preview
Coordinates | 7103881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 N4 O2 |
---|---|
Calculated formula | C18 H14 N4 O2 |
SMILES | c1cc(NC(=O)c2ccncc2)c(cc1)NC(=O)c1ccncc1 |
Title of publication | Ring-opening polymerization of gold macrocycles and self-assembly of a coordination polymer through hydrogen-bonding |
Authors of publication | Burchell, Tara J.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 17 |
Pages of publication | 2228 - 2229 |
a | 17.5572 ± 0.0007 Å |
b | 9.2062 ± 0.0004 Å |
c | 9.637 ± 0.0005 Å |
α | 90° |
β | 102.981 ± 0.002° |
γ | 90° |
Cell volume | 1517.87 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1385 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1428 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
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/7103881.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.