Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238076
Preview
| Coordinates | 2238076.cif |
|---|---|
| Structure factors | 2238076.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate |
|---|---|
| Formula | C19.13 H22.19 Co F6 N4.06 O4 P |
| Calculated formula | C19.128 H22.192 Co F6 N4.064 O4 P |
| Title of publication | {2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate |
| Authors of publication | McLauchlan, Craig C.; Kissel, Daniel S.; Arnold, William R.; Herlinger, Albert W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | m296 - m297 |
| a | 21.8891 ± 0.0007 Å |
| b | 10.235 ± 0.0003 Å |
| c | 21.9242 ± 0.0007 Å |
| α | 90° |
| β | 112.802 ± 0.002° |
| γ | 90° |
| Cell volume | 4527.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189124 (current) | 2016-12-14 | cif/2 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms. |
2238076.cif 2238076.hkl |
| 181302 | 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 2/23/80. |
2238076.cif 2238076.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. |
2238076.cif 2238076.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238076.cif 2238076.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238076.cif 2238076.hkl |
| 86790 | 2013-07-11 | cif/ Adding structures of 2238076 via cif-deposit CGI script. |
2238076.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.