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Information card for entry 4518511
Preview
| Coordinates | 4518511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H42 F6 Fe N10 O7 S2 |
|---|---|
| Calculated formula | C33 H42 F6 Fe N10 O7 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 | 24.072 ± 0.005 Å |
| b | 14.465 ± 0.004 Å |
| c | 15.452 ± 0.004 Å |
| α | 90° |
| β | 125.76 ± 0.014° |
| γ | 90° |
| Cell volume | 4366 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1811 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262321 (current) | 2021-03-01 | cif/ Adding structures of 4518511, 4518512 via cif-deposit CGI script. |
4518511.cif |
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