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Information card for entry 2243228
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| Coordinates | 2243228.cif |
|---|---|
| Structure factors | 2243228.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate) |
|---|---|
| Formula | C18 H28 Cu N6 O10 |
| Calculated formula | C18 H28 Cu N6 O10 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate |
| Authors of publication | Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 111 - 114 |
| a | 26.7742 ± 0.0016 Å |
| b | 20.8916 ± 0.0014 Å |
| c | 8.4254 ± 0.0005 Å |
| α | 90° |
| β | 93.46 ± 0.003° |
| γ | 90° |
| Cell volume | 4704.2 ± 0.5 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245574 (current) | 2019-12-25 | cif/ hkl/ Adding structures of 2243228 via cif-deposit CGI script. |
2243228.cif 2243228.hkl |
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