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Information card for entry 4132277
Preview
| Coordinates | 4132277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H68 Cl8 F10 N4 Pd2 |
|---|---|
| Calculated formula | C100 H68 Cl8 F10 N4 Pd2 |
| Title of publication | Metal-Stabilized Quinoidal Dibenzo[ g, p]chrysene-Fused Bis-dicarbacorrole System. |
| Authors of publication | Ke, Xian-Sheng; Hong, Yongseok; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 24 |
| Pages of publication | 7579 - 7586 |
| a | 44.899 ± 0.004 Å |
| b | 12.1059 ± 0.0011 Å |
| c | 16.7796 ± 0.0014 Å |
| α | 90° |
| β | 100.249 ± 0.003° |
| γ | 90° |
| Cell volume | 8974.9 ± 1.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242274 (current) | 2019-11-26 | cif/ Adding structures of 4132277 via cif-deposit CGI script. |
4132277.cif |
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Users of the data should acknowledge the original authors of the
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