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Information card for entry 7700586
Preview
| Coordinates | 7700586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H32 F6 Mn N5 O6 S2 |
|---|---|
| Calculated formula | C32 H32 F6 Mn N5 O6 S2 |
| Title of publication | Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes. |
| Authors of publication | Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 41 |
| Pages of publication | 15560 - 15566 |
| a | 8.2729 ± 0.0003 Å |
| b | 15.2825 ± 0.0006 Å |
| c | 15.4726 ± 0.0006 Å |
| α | 113.759 ± 0.004° |
| β | 95.344 ± 0.003° |
| γ | 99.235 ± 0.003° |
| Cell volume | 1740.04 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700586.cif |
| 223894 | 2019-11-07 | cif/ Updating files of 7700582, 7700583, 7700584, 7700585, 7700586 Original log message: Adding full bibliography for 7700582--7700586.cif. |
7700586.cif |
| 217135 | 2019-07-18 | cif/ Adding structures of 7700582, 7700583, 7700584, 7700585, 7700586 via cif-deposit CGI script. |
7700586.cif |
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Users of the data should acknowledge the original authors of the
structural data.