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Information card for entry 7216198
Preview
| Coordinates | 7216198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 Cu N2 O4 |
|---|---|
| Calculated formula | C13 H10 Cu N2 O4 |
| Title of publication | Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes |
| Authors of publication | Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 35 |
| Pages of publication | 8106 |
| a | 7.019 ± 0.003 Å |
| b | 28.604 ± 0.003 Å |
| c | 5.964 ± 0.003 Å |
| α | 90° |
| β | 91.808 ± 0.008° |
| γ | 90° |
| Cell volume | 1196.8 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180492 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61. |
7216198.cif |
| 123386 | 2014-09-08 | cif/ Updating files of 7216198, 7216199, 7216200, 7216201, 7216202, 7216203 Original log message: Adding full bibliography for 7216198--7216203.cif. |
7216198.cif |
| 114943 | 2014-05-31 | cif/ Adding structures of 7216198, 7216199, 7216200, 7216201, 7216202, 7216203 via cif-deposit CGI script. |
7216198.cif |
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Users of the data should acknowledge the original authors of the
structural data.