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Information card for entry 4514089
Preview
| Coordinates | 4514089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 Co N4 |
|---|---|
| Calculated formula | C38 H34 Co N4 |
| SMILES | c12=C(c3ccc4C(=c5ccc6C=c7cc(c8=Cc(cc1)[n]2[Co](n78)([n]56)n34)(C)C)c1c(C)cc(C)cc1C)c1ccc(C)cc1 |
| Title of publication | Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin |
| Authors of publication | Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Pages of publication | 3597 |
| a | 19.206 ± 0.0009 Å |
| b | 15.8073 ± 0.0007 Å |
| c | 19.2815 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5853.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4514089.html
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Users of the data should acknowledge the original authors of the
structural data.