Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230715
Preview
| Coordinates | 2230715.cif |
|---|---|
| Structure factors | 2230715.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>cis</i>-Dichloridobis(5,5'-dimethyl-2,2'-bipyridine)manganese(II) 2.5-hydrate |
|---|---|
| Formula | C24 H29 Cl2 Mn N4 O2.5 |
| Calculated formula | C24 H29 Cl2 Mn N4 O2.5 |
| Title of publication | <i>cis</i>-Dichloridobis(5,5'-dimethyl-2,2'-bipyridine)manganese(II) 2.5-hydrate |
| Authors of publication | Lopes, Lívia Batista; Corrêa, Charlane Cimini; Diniz, Renata |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m906 - m907 |
| a | 18.6703 ± 0.0009 Å |
| b | 14.0598 ± 0.0004 Å |
| c | 12.0536 ± 0.0007 Å |
| α | 90° |
| β | 122.43 ± 0.007° |
| γ | 90° |
| Cell volume | 2670.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections | 1.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2230715.cif 2230715.hkl |
| 181229 | 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 2/23/07. |
2230715.cif 2230715.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230715.cif 2230715.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230715.cif 2230715.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. | 2230715.cif 2230715.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230715.cif 2230715.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230715.cif 2230715.hkl |
| 23030 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230715 via cif-deposit CGI script. |
2230715.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.