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Information card for entry 1551030
Preview
| Coordinates | 1551030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C201 H227 N18 Ni3 |
|---|---|
| Calculated formula | C201 H229 N18 Ni3 |
| Title of publication | Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals |
| Authors of publication | Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 24.352 ± 0.005 Å |
| b | 26.043 ± 0.004 Å |
| c | 16.592 ± 0.003 Å |
| α | 90° |
| β | 122.777 ± 0.003° |
| γ | 90° |
| Cell volume | 8847 ± 3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215122 (current) | 2019-05-14 | cif/ Adding structures of 1551029, 1551030, 1551031, 1551032, 1551033 via cif-deposit CGI script. |
1551030.cif |
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Users of the data should acknowledge the original authors of the
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