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Information card for entry 7242431
Preview
| Coordinates | 7242431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H30 Cl2 Fe Mn2 N20 O S4 |
|---|---|
| Calculated formula | C27 H30 Cl2 Fe Mn2 N20 O S4 |
| SMILES | [Mn]1234(Cl)([S]=C(N[N]2=C(C)c2cccc(C(C)=[N]4NC(=[S]1)N)[n]32)N)[N]#C[Fe](C#N)(C#[N][Mn]1234(Cl)[S]=C(N[N]2=C(C)c2cccc(C(C)=[N]4NC(=[S]1)N)[n]32)N)(C#N)(C#N)N=O |
| Title of publication | Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks |
| Authors of publication | Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 2733 - 2745 |
| a | 8.1888 ± 0.0001 Å |
| b | 15.3535 ± 0.0003 Å |
| c | 18.004 ± 0.0004 Å |
| α | 111.855 ± 0.002° |
| β | 100.356 ± 0.002° |
| γ | 91.24 ± 0.001° |
| Cell volume | 2056.93 ± 0.07 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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 |
|---|---|---|---|
| 265970 (current) | 2021-06-05 | cif/ Updating files of 7242428, 7242429, 7242430, 7242431, 7242432, 7242433 Original log message: Adding full bibliography for 7242428--7242433.cif. |
7242431.cif |
| 263152 | 2021-03-19 | cif/ Adding structures of 7242428, 7242429, 7242430, 7242431, 7242432, 7242433 via cif-deposit CGI script. |
7242431.cif |
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Users of the data should acknowledge the original authors of the
structural data.