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Information card for entry 7714658
Preview
| Coordinates | 7714658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H29 B Br Co N9 O3 |
|---|---|
| Calculated formula | C27 H29 B Br Co N9 O3 |
| SMILES | [Br-].[Co]12345[N](O[B](O[N]2=C(c2[n]3[nH]cc2)C)(O[N]4=C(c2[n]5[nH]cc2)C)c2ccccc2)=C(c2[n]1[nH]cc2)C.c1ccccc1 |
| Title of publication | Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates. |
| Authors of publication | Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 1482 - 1491 |
| a | 8.25 ± 0.0016 Å |
| b | 13.319 ± 0.003 Å |
| c | 14.251 ± 0.003 Å |
| α | 89.48 ± 0.03° |
| β | 74.35 ± 0.03° |
| γ | 76.82 ± 0.03° |
| Cell volume | 1465.9 ± 0.6 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.0857 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.9699 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289512 (current) | 2024-02-04 | cif/ Updating files of 7714650, 7714651, 7714652, 7714653, 7714654, 7714655, 7714656, 7714657, 7714658 Original log message: Adding full bibliography for 7714650--7714658.cif. |
7714658.cif |
| 288174 | 2023-12-08 | cif/ Adding structures of 7714650, 7714651, 7714652, 7714653, 7714654, 7714655, 7714656, 7714657, 7714658 via cif-deposit CGI script. |
7714658.cif |
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Users of the data should acknowledge the original authors of the
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