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Information card for entry 2312481
Preview
| Coordinates | 2312481.cif |
|---|---|
| Structure factors | 2312481.hkl |
| Original paper (by DOI) | HTML |
| Common name | nitro-pentaammine-Co(III)-bromide-nitrate |
|---|---|
| Chemical name | nitro-pentaammine-Co(III)-bromide-nitrate |
| Formula | Br Co H15 N7 O5 |
| Calculated formula | Br Co H15 N7 O5 |
| Title of publication | A comparison of the isostructural [Co(NH<sub>3</sub>)<sub>5</sub>NO<sub>2</sub>]XNO<sub>3</sub> and [Co(NH<sub>3</sub>)<sub>5</sub>ONO]XNO<sub>3</sub>, X = Cl<sup>-</sup> or Br<sup>-</sup> in relation to nitro-nitrito linkage isomerization and photomechanical effects. |
| Authors of publication | Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 3 |
| a | 15.0056 ± 0.0005 Å |
| b | 7.4101 ± 0.0003 Å |
| c | 9.6803 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1076.38 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291769 (current) | 2024-05-08 | cif/ hkl/ Adding structures of 2312481, 2312482 via cif-deposit CGI script. |
2312481.cif 2312481.hkl |
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Users of the data should acknowledge the original authors of the
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