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Information card for entry 7240234
Preview
| Coordinates | 7240234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H32 Cl Mn N4 O4 |
|---|---|
| Calculated formula | C24 H32 Cl Mn N4 O4 |
| Title of publication | Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties |
| Authors of publication | Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.8657 ± 0.0004 Å |
| b | 8.3573 ± 0.0005 Å |
| c | 19.1322 ± 0.0011 Å |
| α | 90° |
| β | 92.729 ± 0.002° |
| γ | 90° |
| Cell volume | 1256.25 ± 0.12 Å3 |
| Cell temperature | 289.99 K |
| Ambient diffraction temperature | 289.99 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240234.cif |
| 249894 | 2020-04-01 | cif/ Adding structures of 7240232, 7240233, 7240234, 7240235 via cif-deposit CGI script. |
7240234.cif |
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Users of the data should acknowledge the original authors of the
structural data.