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Information card for entry 2241980
Preview
| Coordinates | 2241980.cif |
|---|---|
| Structure factors | 2241980.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>meso</i>-Di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate |
|---|---|
| Formula | C58 H43.62 Cd2 Cl2 N16 O2.81 |
| Calculated formula | C58 H42 Cd2 Cl2 N16 O2.806 |
| Title of publication | Crystal structure of <i>meso</i>-di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate |
| Authors of publication | Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Setifi, Zouaoui; Touzani, Rachid; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 48 - 52 |
| a | 12.425 ± 0.005 Å |
| b | 13.912 ± 0.005 Å |
| c | 17.382 ± 0.005 Å |
| α | 90° |
| β | 104.395 ± 0.005° |
| γ | 90° |
| Cell volume | 2910.3 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189159 (current) | 2016-12-17 | cif/ hkl/ Adding structures of 2241980 via cif-deposit CGI script. |
2241980.cif 2241980.hkl |
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Users of the data should acknowledge the original authors of the
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