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Information card for entry 4518512
Preview
| Coordinates | 4518512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H38 Cl2 F6 Fe N8 O8 S2 |
|---|---|
| Calculated formula | C31 H38 Cl2 F6 Fe N8 O8 S2 |
| Title of publication | Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue |
| Authors of publication | Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 3257 - 3267 |
| a | 13.5494 ± 0.0005 Å |
| b | 14.2148 ± 0.0003 Å |
| c | 23.1891 ± 0.0008 Å |
| α | 90° |
| β | 90.538 ± 0.003° |
| γ | 90° |
| Cell volume | 4466.1 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1578 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.2129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262321 (current) | 2021-03-01 | cif/ Adding structures of 4518511, 4518512 via cif-deposit CGI script. |
4518512.cif |
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