Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019441
Preview
| Coordinates | 2019441.cif |
|---|---|
| Structure factors | 2019441.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ~2~-azido-diazidodiethanolbis{μ~2~-2-[(hydroxyimino)methyl]-6-methoxyphenolato}bis{μ~3~-2-[(oxidoimino)methyl]-6-methoxyphenolato}dicobalt(II)dicobalt(III) ethanol disolvate |
|---|---|
| Formula | C40 H54 Co4 N16 O16 |
| Calculated formula | C40 H54 Co4 N16 O16 |
| SMILES | c12c(O[Co]345([N](=C1)[O]1[Co]67([O]5c5c(cccc5[O]6C)C=[N]4O)([OH]CC)[N](=N#N)[Co]456([N](=Cc9c(c(ccc9)OC)O5)[O]7[Co]51([N]3=N#N)([O]6c1c(cccc1[O]5C)C=[N]4O)[OH]CC)N=N#N)N=N#N)c(OC)ccc2.OCC.OCC |
| Title of publication | A mixed-valence complex of cobalt based on 3-methoxysalicylaldoxime |
| Authors of publication | Yao, Tiantian; Lu, Jing; Li, Dacheng; Dou, Jianmin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 364 - 367 |
| a | 9.605 ± 0.007 Å |
| b | 10.749 ± 0.007 Å |
| c | 13.01 ± 0.009 Å |
| α | 91.524 ± 0.011° |
| β | 107.539 ± 0.01° |
| γ | 93.855 ± 0.01° |
| Cell volume | 1276.3 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1503 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019441.cif 2019441.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019441.cif 2019441.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019441.cif 2019441.hkl |
| 108738 | 2014-04-03 | cif/ hkl/ Adding structures of 2019441 via cif-deposit CGI script. |
2019441.cif 2019441.hkl |
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.