Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043660
Preview
| Coordinates | 7043660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H34 Mn N5 O6 |
|---|---|
| Calculated formula | C24 H34 Mn N5 O6 |
| SMILES | O1c2ccccc2C=[N]2CCC[NH]3CC[NH]4CCC[N]5=Cc6ccccc6O[Mn]12345.N(=O)(=O)[O-].CCO |
| Title of publication | The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes |
| Authors of publication | Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 8.0291 ± 0.0005 Å |
| b | 19.2541 ± 0.0012 Å |
| c | 16.7664 ± 0.0011 Å |
| α | 90° |
| β | 101.653 ± 0.001° |
| γ | 90° |
| Cell volume | 2538.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7043660.cif |
| 198775 | 2017-07-18 | cif/ Adding structures of 7043660, 7043661, 7043662, 7043663, 7043664, 7043665, 7043666, 7043667, 7043668, 7043669 via cif-deposit CGI script. |
7043660.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.