Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055810
Preview
| Coordinates | 7055810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex of copper(II) thiocyanate with tris(2-pyridyl)phosphine oxide |
|---|---|
| Formula | C18 H13 Cl3 Cu N5 O P S2 |
| Calculated formula | C18 H13 Cl3 Cu N5 O P S2 |
| SMILES | [Cu]12([n]3c(P(=O)(c4[n]1cccc4)c1cccc[n]21)cccc3)(N=C=S)N=C=S.ClC(Cl)Cl |
| Title of publication | Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers |
| Authors of publication | Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 10028 |
| a | 11.9247 ± 0.0006 Å |
| b | 10.7519 ± 0.0004 Å |
| c | 18.7122 ± 0.0007 Å |
| α | 90° |
| β | 97.86 ± 0.002° |
| γ | 90° |
| Cell volume | 2376.61 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190238 (current) | 2017-01-09 | cif/ Updating files of 7055807, 7055808, 7055809, 7055810, 7055811 Original log message: Adding full bibliography for 7055807--7055811.cif. |
7055810.cif |
| 187012 | 2016-10-07 | cif/ Adding structures of 7055807, 7055808, 7055809, 7055810, 7055811 via cif-deposit CGI script. |
7055810.cif |
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.