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Information card for entry 7047693
Preview
| Coordinates | 7047693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Fe2(N3)2(Py2F2BTA)2(N3)2] |
|---|---|
| Chemical name | [Fe2(N3)2(Py2F2BTA)2(N3)2] |
| Formula | C24 H20 B2 F4 Fe2 N22 |
| Calculated formula | C24 H20 B2 F4 Fe2 N22 |
| Title of publication | Ferromagnetically coupled dinuclear M<sup>II</sup> complexes based on a boratriazine ligand framework. |
| Authors of publication | Savard, Jamie M.; Brunet, Gabriel; Srinivasan, Anandi; Murugesu, Muralee; Brusso, Jaclyn L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 42 |
| Pages of publication | 14875 - 14879 |
| a | 11.9622 ± 0.0003 Å |
| b | 10.2305 ± 0.0002 Å |
| c | 14.0273 ± 0.0003 Å |
| α | 90° |
| β | 107.128 ± 0.001° |
| γ | 90° |
| Cell volume | 1640.52 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1217 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047693.cif |
| 229480 | 2019-11-17 | cif/ Updating files of 7047693, 7047694 Original log message: Adding full bibliography for 7047693--7047694.cif. |
7047693.cif |
| 211304 | 2018-10-04 | cif/ Adding structures of 7047693, 7047694 via cif-deposit CGI script. |
7047693.cif |
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Users of the data should acknowledge the original authors of the
structural data.