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Information card for entry 2241273
Preview
| Coordinates | 2241273.cif |
|---|---|
| Structure factors | 2241273.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis{1-[(<i>E</i>)-(2-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>'}copper(II) |
|---|---|
| Formula | C34 H26 Cu N4 O4 |
| Calculated formula | C34 H26 Cu N4 O4 |
| SMILES | [Cu]1234([O](c5c([N]3=Nc3c(O1)ccc1c3cccc1)cccc5)C)[O](c1c([N]4=Nc3c(O2)ccc2c3cccc2)cccc1)C |
| Title of publication | Crystal structure of bis{1-[(<i>E</i>)-(2-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>'}copper(II) containing an unknown solvate |
| Authors of publication | Chetioui, Souheyla; Hamdouni, Noudjoud; Rouag, Djamil-Azzeddine; Bouaoud, Salah Eddine; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | m207 - m208 |
| a | 29.749 ± 0.002 Å |
| b | 12.5171 ± 0.0009 Å |
| c | 15.3565 ± 0.0012 Å |
| α | 90° |
| β | 92.969 ± 0.005° |
| γ | 90° |
| Cell volume | 5710.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1969 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
2241273.cif 2241273.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2241273.cif 2241273.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. |
2241273.cif 2241273.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2241273.cif 2241273.hkl |
| 169996 | 2015-11-04 | cif/ hkl/ Adding structures of 2241273 via cif-deposit CGI script. |
2241273.cif 2241273.hkl |
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Users of the data should acknowledge the original authors of the
structural data.