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Information card for entry 2312623
Preview
| Coordinates | 2312623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H56 Co2 N12 O17 V4 |
|---|---|
| Calculated formula | C12 H56 Co2 N12 O17 V4 |
| SMILES | [Co]123([NH2]CC[NH2]2)([NH2]CC[NH2]1)[NH2]CC[NH2]3.[Co]123([NH2]CC[NH2]2)([NH2]CC[NH2]1)[NH2]CC[NH2]3.[V](O[V](=O)([O-])[O-])(=O)([O-])O[V](O[V](=O)([O-])[O-])(=O)[O-].O.O.O.O |
| Title of publication | Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)<sub>3</sub>](V<sub>4</sub>O<sub>13</sub>)·4H<sub>2</sub>O. |
| Authors of publication | Vosegaard, Emilie Skytte; Mamakhel, Mohammad Aref Hasen; Parmar, Vijay Singh; Bertelsen, Andreas Dueholm; Iversen, Bo Brummerstedt |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| Pages of publication | 488 - 494 |
| a | 8.6226 ± 0.0003 Å |
| b | 8.9645 ± 0.0003 Å |
| c | 12.8206 ± 0.0005 Å |
| α | 81.491 ± 0.003° |
| β | 71.357 ± 0.003° |
| γ | 65.064 ± 0.004° |
| Cell volume | 851.36 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300171 (current) | 2025-06-24 | cif/2: Fixing some Z values and formulae |
2312623.cif |
| 296746 | 2024-12-07 | cif/ Updating files of 2312623 Original log message: Adding full bibliography for 2312623.cif. |
2312623.cif |
| 294600 | 2024-09-06 | cif/ Adding structures of 2312623 via cif-deposit CGI script. |
2312623.cif |
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Users of the data should acknowledge the original authors of the
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