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Information card for entry 7718751
Preview
| Coordinates | 7718751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 I0.5 Mn0.5 N2 O |
|---|---|
| Calculated formula | C15 H16 I0.5 Mn0.5 N2 O |
| Title of publication | Halogen Bonds-enhanced Spin Dynamics: Investigating Co-crystallization Effects on Spin Crossover in Mononuclear Mn(III) Schiff-base Complexes |
| Authors of publication | Zhao, Sheng-Ze; Chen, Liwen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 7.7479 ± 0.0008 Å |
| b | 12.2056 ± 0.0013 Å |
| c | 15.0826 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1426.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 293.78 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1246 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299721 (current) | 2025-05-18 | cif/ Adding structures of 7718751, 7718752, 7718753, 7718754, 7718755 via cif-deposit CGI script. |
7718751.cif |
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