Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019417
Preview
| Coordinates | 2019417.cif |
|---|---|
| Structure factors | 2019417.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''] |
|---|---|
| Formula | C21 H13 Cl Cu N6 O |
| Calculated formula | C21 H13 Cl Cu N6 O |
| SMILES | c1ccc2ccc3ccc[n]4[Cu]([n]1c2c34)(Cl)N=C=C(C(=C(C#N)C#N)OCC)C#N |
| Title of publication | Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']: coordination polymer sheets linked into bilayers by hydrogen bonds |
| Authors of publication | Setifi, Zouaoui; Setifi, Fatima; El Ammari, Lahcen; El-Ghozzi, Malika; Sopková-de Oliveira Santos, Jana; Merazig, Hocine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 19 - 22 |
| a | 31.79 ± 0.03 Å |
| b | 7.925 ± 0.006 Å |
| c | 16.005 ± 0.013 Å |
| α | 90° |
| β | 97.69 ± 0.03° |
| γ | 90° |
| Cell volume | 3996 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019417.cif 2019417.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019417.cif 2019417.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019417.cif 2019417.hkl |
| 104785 | 2014-03-11 | cif/ hkl/ Adding structures of 2019417 via cif-deposit CGI script. |
2019417.cif 2019417.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.