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Information card for entry 7245927
Preview
| Coordinates | 7245927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 Cu4 F48 N6 O24 |
|---|---|
| Calculated formula | C80 Cu4 F48 N6 O24 |
| SMILES | [Cu]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[n]1ccc(COc2c(OC)ccc(c2)C2=N(=[O][Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)C(C([N]2=[O][Cu]24([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)[n]2ccc(COc4c(OC)ccc(c4)C4=N(=[O][Cu]56(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)C(C([N]4=[O]3)(C)C)(C)C)cc2)(C)C)(C)C)cc1 |
| Title of publication | Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain |
| Authors of publication | Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 3 |
| Pages of publication | 403 - 416 |
| a | 12.2932 ± 0.0006 Å |
| b | 13.6174 ± 0.0006 Å |
| c | 16.6873 ± 0.0008 Å |
| α | 110.386 ± 0.002° |
| β | 93.646 ± 0.002° |
| γ | 100.428 ± 0.002° |
| Cell volume | 2550.8 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 192.98 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1306 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.2768 |
| Weighted residual factors for all reflections included in the refinement | 0.3032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281461 (current) | 2023-03-04 | cif/ Updating files of 7245927, 7245928, 7245929, 7245930, 7245931, 7245932 Original log message: Adding full bibliography for 7245927--7245932.cif. |
7245927.cif |
| 279632 | 2022-11-30 | cif/ Adding structures of 7245927, 7245928, 7245929, 7245930, 7245931, 7245932 via cif-deposit CGI script. |
7245927.cif |
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Users of the data should acknowledge the original authors of the
structural data.