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Information card for entry 7715515
Preview
| Coordinates | 7715515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C170 H250 B2 Co2 Fe2 N28 O16 S2 |
|---|---|
| Calculated formula | C170 H250 B2 Co2 Fe2 N28 O16 S2 |
| SMILES | [Fe]123(C#[N][Co]45([N]#C[Fe]67(C#[N][Co]89([N]#C1)([n]1ccc(cc1c1[n]8ccc(c1)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1[n]9ccc(c1)C(C)(C)C)C(C)(C)C)(C#N)[n]1n(c(cc1C)C)[BH](n1[n]6c(cc1C)C)n1[n]7c(cc1C)C)([n]1c(cc(cc1)C(C)(C)C)c1[n]4ccc(c1)C(C)(C)C)[n]1ccc(cc1c1[n]5ccc(c1)C(C)(C)C)C(C)(C)C)(C#N)[n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.S(=O)(=O)([O-])CC(=O)N[C@H](C(=O)OCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCC.S(=O)(=O)([O-])CC(=O)N[C@H](C(=O)OCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCC |
| Title of publication | Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions. |
| Authors of publication | Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 7190 - 7196 |
| a | 13.052 ± 0.012 Å |
| b | 16.203 ± 0.015 Å |
| c | 23.83 ± 0.02 Å |
| α | 77.546 ± 0.009° |
| β | 78.183 ± 0.008° |
| γ | 72.12 ± 0.008° |
| Cell volume | 4631 ± 7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.15 K |
| Number of distinct elements | 8 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.3697 |
| Residual factor for significantly intense reflections | 0.1631 |
| Weighted residual factors for significantly intense reflections | 0.3473 |
| Weighted residual factors for all reflections included in the refinement | 0.5171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| 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 |
|---|---|---|---|
| 291633 (current) | 2024-05-05 | cif/ Updating files of 7715513, 7715514, 7715515 Original log message: Adding full bibliography for 7715513--7715515.cif. |
7715515.cif |
| 290630 | 2024-03-26 | cif/ Adding structures of 7715513, 7715514, 7715515 via cif-deposit CGI script. |
7715515.cif |
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Users of the data should acknowledge the original authors of the
structural data.