Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544770
Preview
| Coordinates | 1544770.cif |
|---|---|
| Structure factors | 1544770.hkl |
| Original paper (by DOI) | HTML |
| Formula | C19 H11 Cl2 Hg N3 |
|---|---|
| Calculated formula | C19 H11 Cl2 Hg N3 |
| Title of publication | <i>catena</i>-Poly[[dichloridomercury(II)]-μ-3,5-bis[2-(pyridin-4-yl)ethynyl]pyridine-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Zhang, Peng; Yang, Qi; Zhao, Minjian |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 12 |
| Pages of publication | x161951 |
| a | 5.0941 ± 0.001 Å |
| b | 22.946 ± 0.005 Å |
| c | 15.831 ± 0.003 Å |
| α | 90° |
| β | 96.229 ± 0.004° |
| γ | 90° |
| Cell volume | 1839.5 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189041 (current) | 2016-12-10 | cif/ hkl/ Adding structures of 1544770 via cif-deposit CGI script. |
1544770.cif 1544770.hkl |
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.