Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544276
Preview
| Coordinates | 1544276.cif |
|---|---|
| Structure factors | 1544276.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate |
|---|---|
| Formula | C38 H28 Cl2 Cu N8 O4 |
| Calculated formula | C38 H28 Cl2 Cu N8 O4 |
| SMILES | [Cu]12(Cl)([n]3c(ccc4nc5c(cc34)cccc5)c3[n]1cccc3)[n]1c(ccc3nc4ccccc4cc13)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].N#CC.N#CC |
| Title of publication | Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate |
| Authors of publication | Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161562 |
| a | 7.53614 ± 0.00016 Å |
| b | 30.5246 ± 0.0006 Å |
| c | 15.4918 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3563.7 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187283 (current) | 2016-10-12 | cif/ hkl/ Adding structures of 1544276 via cif-deposit CGI script. |
1544276.cif 1544276.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.