Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231278
Preview
| Coordinates | 2231278.cif |
|---|---|
| Structure factors | 2231278.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(<i>O</i>-<i>n</i>-butyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)manganese(II) |
|---|---|
| Formula | C20 H28 Mn N2 O2 S4 |
| Calculated formula | C20 H28 Mn N2 O2 S4 |
| Title of publication | Bis(<i>O</i>-<i>n</i>-butyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)manganese(II) |
| Authors of publication | Alam, Naveed; Ehsan, Muhammad Ali; Zeller, Matthias; Mazhar, Muhammad; Arifin, Zainudin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1064 |
| a | 10.9189 ± 0.0017 Å |
| b | 6.0853 ± 0.0009 Å |
| c | 17.65 ± 0.003 Å |
| α | 90° |
| β | 97.536 ± 0.003° |
| γ | 90° |
| Cell volume | 1162.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0255 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181234 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/12. |
2231278.cif 2231278.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231278.cif 2231278.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231278.cif 2231278.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231278.cif 2231278.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231278.cif 2231278.hkl |
| 27193 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231278 via cif-deposit CGI script. |
2231278.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.