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Information card for entry 4349362
Preview
| Coordinates | 4349362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H39 Fe4 N3 |
|---|---|
| Calculated formula | C48 H39 Fe4 N3 |
| Title of publication | Observation of the Strong Electronic Coupling in Near-Infrared-Absorbing Tetraferrocene aza-Dipyrromethene and aza-BODIPY with Direct Ferrocene-α- and Ferrocene-β-Pyrrole Bonds: Toward Molecular Machinery with Four-Bit Information Storage Capacity. |
| Authors of publication | Zatsikha, Yuriy V.; Holstrom, Cole D.; Chanawanno, Kullapa; Osinski, Allen J.; Ziegler, Christopher J.; Nemykin, Victor N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 991 - 1000 |
| a | 11.5406 ± 0.0005 Å |
| b | 10.45 ± 0.0005 Å |
| c | 14.9894 ± 0.0006 Å |
| α | 90° |
| β | 99.553 ± 0.003° |
| γ | 90° |
| Cell volume | 1782.64 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233897 (current) | 2019-11-23 | cif/ Adding structures of 4349362 via cif-deposit CGI script. |
4349362.cif |
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Users of the data should acknowledge the original authors of the
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