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Information card for entry 4129513
Preview
| Coordinates | 4129513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H75 F3 Fe4 N13 O9.5 S |
|---|---|
| Calculated formula | C91 H75 F3 Fe4 N13 O9.5 S |
| Title of publication | Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes. |
| Authors of publication | de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 44 |
| Pages of publication | 14094 - 14106 |
| a | 12.1605 ± 0.0007 Å |
| b | 29.0785 ± 0.0017 Å |
| c | 22.807 ± 0.0013 Å |
| α | 90° |
| β | 98.2302 ± 0.0017° |
| γ | 90° |
| Cell volume | 7981.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0908 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240221 (current) | 2019-11-25 | cif/ Adding structures of 4129513 via cif-deposit CGI script. |
4129513.cif |
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Users of the data should acknowledge the original authors of the
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