Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4501028
Preview
| Coordinates | 4501028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hexamanganese(II)hydroxy undecabutyrate |
|---|---|
| Chemical name | Hexamanganese(II)hydroxy undecabutyrate |
| Formula | C44 H78 Mn6 O23 |
| Calculated formula | C44 H78 Mn6 O23 |
| Title of publication | Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties |
| Authors of publication | Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 4080 |
| a | 13.641 ± 0.003 Å |
| b | 25.222 ± 0.005 Å |
| c | 17 ± 0.003 Å |
| α | 90° |
| β | 103.37 ± 0.03° |
| γ | 90° |
| Cell volume | 5690 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.2464 |
| Weighted residual factors for all reflections included in the refinement | 0.251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.7514 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179541 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10. |
4501028.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4501028.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501028.cif |
| 34738 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501028, 4501029 via cif-deposit CGI script. |
4501028.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.