Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101914
Preview
| Coordinates | 8101914.cif |
|---|---|
| External links | PubChem |
| Chemical name | methanol-[N,N'-o-phenylenebis(salicylaldiminato-N,N',O,O')](salicylaldehydato- O)manganese(III) |
|---|---|
| Formula | C28 H23 Mn N2 O5 |
| Calculated formula | C28 H23 Mn N2 O5 |
| SMILES | [Mn]123([N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3)(Oc1ccccc1C=O)[OH]C |
| Title of publication | Crystal structure of methanol[N,N'-o-phenylenebis(salicyl-aldiminato- N,N',O,O')](salicylaldehydato-O)manganese(III), Mn(CH~3~OH)(C~6~H~4~OCHO) [C~6~H~4~(C~6~H~4~OCHN)~2~]~2~ |
| Authors of publication | Wang, C.; Hou, Y.-Q.; Li, J.; Zhang, F.-X. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 1 |
| Pages of publication | 51 - 52 |
| a | 10.3207 ± 0.0012 Å |
| b | 13.5029 ± 0.0017 Å |
| c | 17.39 ± 0.002 Å |
| α | 90° |
| β | 93.95 ± 0.002° |
| γ | 90° |
| Cell volume | 2417.7 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101914.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101914.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101914.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101914.cif |
| 12653 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101914 via cif-deposit CGI script. |
8101914.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.