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Information card for entry 1544268
Preview
| Coordinates | 1544268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C7 |
|---|---|
| Formula | C28 H31 Cl2 Co N5 |
| Calculated formula | C28 H31 Cl2 Co N5 |
| SMILES | [Co]123(Cl)(Cl)[N](C)(c4c5[n]1cccc5ccc4)[C@@H]1CCCC[C@H]1[N]2(C)c1cccc2ccc[n]3c12.N#CC |
| Title of publication | The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations |
| Authors of publication | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 7408 |
| a | 11.1898 ± 0.001 Å |
| b | 8.5968 ± 0.0008 Å |
| c | 14.2382 ± 0.0013 Å |
| α | 90° |
| β | 103.253 ± 0.003° |
| γ | 90° |
| Cell volume | 1333.2 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1544268.cif |
| 187242 | 2016-10-11 | cif/ Adding structures of 1544266, 1544267, 1544268, 1544269, 1544270 via cif-deposit CGI script. |
1544268.cif |
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Users of the data should acknowledge the original authors of the
structural data.