Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241294
Preview
| Coordinates | 2241294.cif |
|---|---|
| Structure factors | 2241294.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)) |
|---|---|
| Formula | C68 H52 Cu2 N8 O8 |
| Calculated formula | C68 H52 Cu2 N8 O8 |
| SMILES | c1(cc(OC)ccc1)[N]1=Nc2c(ccc3c2cccc3)[O]2[Cu]31(Oc1c(N=[N]3c3cc(OC)ccc3)c3c(cc1)cccc3)[O](c1c(N=[N]3c4cc(ccc4)OC)c4c(cc1)cccc4)[Cu]231[N](=Nc2c(O1)ccc1c2cccc1)c1cc(OC)ccc1 |
| Title of publication | Crystal structure of bis{μ-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)) |
| Authors of publication | Chetioui, Souheyla; Hamdouni, Noudjoud; Bochet, Christian G.; Djukic, Jean-Pierre; Bailly, Corinne |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m211 - m212 |
| a | 16.26 ± 0.005 Å |
| b | 7.707 ± 0.005 Å |
| c | 22.325 ± 0.005 Å |
| α | 90° |
| β | 104.268 ± 0.005° |
| γ | 90° |
| Cell volume | 2711 ± 2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241294.cif 2241294.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241294.cif 2241294.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2241294.cif 2241294.hkl |
| 170176 | 2015-11-07 | cif/ hkl/ Adding structures of 2241294 via cif-deposit CGI script. |
2241294.cif 2241294.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.