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Information card for entry 2242810
Preview
| Coordinates | 2242810.cif |
|---|---|
| Structure factors | 2242810.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1'-[2-(1-Amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate |
|---|---|
| Formula | C19 H21 Co F6 N3 O3 P |
| Calculated formula | C19 H21 Co F6 N3 O3 P |
| Title of publication | Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate |
| Authors of publication | Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 208 - 213 |
| a | 7.9891 ± 0.0004 Å |
| b | 9.431 ± 0.0005 Å |
| c | 15.5425 ± 0.0008 Å |
| α | 74.415 ± 0.003° |
| β | 78.183 ± 0.002° |
| γ | 73.798 ± 0.002° |
| Cell volume | 1072.48 ± 0.1 Å3 |
| Cell temperature | 191 ± 2 K |
| Ambient diffraction temperature | 191 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213107 (current) | 2019-01-16 | cif/ hkl/ Adding structures of 2242809, 2242810 via cif-deposit CGI script. |
2242810.cif 2242810.hkl |
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Users of the data should acknowledge the original authors of the
structural data.