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Information card for entry 4338256
Preview
| Coordinates | 4338256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [CoN4] |
|---|---|
| Formula | C15 H21 Co N4 |
| Calculated formula | C15 H21 Co N4 |
| SMILES | [Co]123N4CCC[N]3=C(c3[n]1c(C(=[N]2CCC4)C)ccc3)C |
| Title of publication | Studies of Cobalt-Mediated Electrocatalytic CO2 Reduction Using a Redox-Active Ligand. |
| Authors of publication | Lacy, David C.; McCrory, Charles C. L.; Peters, Jonas C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 4980 - 4988 |
| a | 19.365 ± 0.003 Å |
| b | 5.0144 ± 0.0007 Å |
| c | 15.594 ± 0.002 Å |
| α | 90° |
| β | 111.445 ± 0.003° |
| γ | 90° |
| Cell volume | 1409.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338256.cif |
| 201218 | 2017-09-25 | cif/4/33/82/ Moving the _space_group_crystal_system data item out of the looped context in entry 4338256. |
4338256.cif |
| 179485 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338256.cif |
| 115690 | 2014-06-05 | cif/ Updating files of 4338256, 4338257, 4338258 Original log message: Adding full bibliography for 4338256--4338258.cif. |
4338256.cif |
| 112258 | 2014-04-30 | cif/ Adding structures of 4338256, 4338257, 4338258 via cif-deposit CGI script. |
4338256.cif |
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Users of the data should acknowledge the original authors of the
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