Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4312872
Preview
| Coordinates | 4312872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [{N,N'-bis(salicylidene)-1,3-diaminopropane}manganese(III)] thiocyanate |
|---|---|
| Formula | C18 H16 Mn N3 O2 S |
| Calculated formula | C18 H16 Mn N3 O2 S |
| Title of publication | Synthesis, Structure, and Magnetic Properties of [MnIII(salpn)NCS]n, a Helical Polymer, and the Dimer [MnIII(salpn)NCS]2. Weak Ferromagnetism in [MnIII(salpn)NCS]n Related to the Strong Magnetic Anisotropy in Jahn-Teller Mn(III) (salpnH2=N,N'-Bis(salicylidene)-1,3-diaminopropane) |
| Authors of publication | S. Sailaja; K. Rajender Reddy; M. V. Rajasekharan; C. Hureau; E. Rivière; J. Cano; J.-J. Girerd |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 180 - 186 |
| a | 12.5277 ± 0.0014 Å |
| b | 11.576 ± 0.002 Å |
| c | 11.513 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1669.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for all reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Goodness-of-fit parameter for all reflections | 1.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4312872.cif |
| 179167 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/28. |
4312872.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312872.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312872.cif |
| 5941 | 2011-01-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4312872 via cif-deposit CGI script. |
4312872.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.