Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342349
Preview
| Coordinates | 4342349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Manganese sulfonyldibenzoates |
|---|---|
| Formula | C54 H44 Mn3 N3 O23 S3 |
| Calculated formula | C54 H44 Mn3 N3 O23 S3 |
| Title of publication | High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters. |
| Authors of publication | Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1254 - 1271 |
| a | 16.7094 ± 0.0003 Å |
| b | 20.2857 ± 0.0004 Å |
| c | 17.1936 ± 0.0003 Å |
| α | 90° |
| β | 99.178 ± 0.002° |
| γ | 90° |
| Cell volume | 5753.36 ± 0.19 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0985 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.2028 |
| Weighted residual factors for all reflections included in the refinement | 0.2256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179526 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342349.cif |
| 132787 | 2015-03-04 | cif/ Updating files of 4342345, 4342346, 4342347, 4342348, 4342349, 4342350, 4342351 Original log message: Adding full bibliography for 4342345--4342351.cif. |
4342349.cif |
| 131202 | 2015-02-06 | cif/ Adding structures of 4342345, 4342346, 4342347, 4342348, 4342349, 4342350, 4342351 via cif-deposit CGI script. |
4342349.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.