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Information card for entry 1543623
Preview
| Coordinates | 1543623.cif |
|---|---|
| Structure factors | 1543623.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>]-1,5-naphthyridine-κ<i>N</i>^1^]zinc |
|---|---|
| Formula | C17 H11 Cl2 N3 Zn |
| Calculated formula | C17 H11 Cl2 N3 Zn |
| SMILES | [Zn]1(Cl)(Cl)[n]2c(ccc3nc4ccccc4cc23)c2[n]1cccc2 |
| Title of publication | Dichlorido[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]zinc |
| Authors of publication | Ohtsu, Hideki; Oura, Takahiro; Takaoka, Mikio; Tsuge, Kiyoshi; Tanaka, Koji |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161093 |
| a | 7.9078 ± 0.00014 Å |
| b | 8.27871 ± 0.00015 Å |
| c | 13.4075 ± 0.0003 Å |
| α | 73.8395 ± 0.0007° |
| β | 79.2764 ± 0.0007° |
| γ | 68.1246 ± 0.0007° |
| Cell volume | 779.01 ± 0.03 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184296 (current) | 2016-07-08 | cif/ hkl/ Adding structures of 1543623 via cif-deposit CGI script. |
1543623.cif 1543623.hkl |
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Users of the data should acknowledge the original authors of the
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