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Information card for entry 2242712
Preview
| Coordinates | 2242712.cif |
|---|---|
| Structure factors | 2242712.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate |
|---|---|
| Formula | C46 H31.55 Fe N14 O2.78 |
| Calculated formula | C46 H31.552 Fe N14 O2.776 |
| Title of publication | Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions |
| Authors of publication | Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1717 - 1726 |
| a | 38.341 ± 0.0003 Å |
| b | 11.2756 ± 0.0001 Å |
| c | 19.3374 ± 0.00016 Å |
| α | 90° |
| β | 97.503 ± 0.001° |
| γ | 90° |
| Cell volume | 8288.32 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211856 (current) | 2018-11-08 | cif/ hkl/ Adding structures of 2242712, 2242713, 2242714, 2242715, 2242716, 2242717 via cif-deposit CGI script. |
2242712.cif 2242712.hkl |
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Users of the data should acknowledge the original authors of the
structural data.