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Information card for entry 2240597
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| Coordinates | 2240597.cif |
|---|---|
| Structure factors | 2240597.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II) |
|---|---|
| Formula | C14 H14 Cl2 Cu N2 O4 |
| Calculated formula | C14 H14 Cl2 Cu N2 O4 |
| SMILES | c1cc(cc[n]1[Cu](Cl)([n]1ccc(cc1)C(=O)OC)Cl)C(=O)OC |
| Title of publication | Crystal structure of dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II) |
| Authors of publication | Ahadi, Elaheh; Hosseini-Monfared, Hassan; Mayer, Peter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m112 - m113 |
| a | 3.7792 ± 0.0004 Å |
| b | 29.891 ± 0.004 Å |
| c | 7.0139 ± 0.0008 Å |
| α | 90° |
| β | 94.036 ± 0.01° |
| γ | 90° |
| Cell volume | 790.35 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240597.cif 2240597.hkl |
| 136389 | 2015-05-13 | cif/ hkl/ Adding structures of 2240597 via cif-deposit CGI script. |
2240597.cif 2240597.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.