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Information card for entry 7711471
Preview
| Coordinates | 7711471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60.5 H87.5 N4 O6 Tb |
|---|---|
| Calculated formula | C60.5 H87.5 N4 O6 Tb |
| Title of publication | Crystalline paramagnetic supramolecular 2D-polymer of tetra(4-pyridyl)porphyrin and terbium(III) complex |
| Authors of publication | Nazarov, Dmitry I.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 19.4122 ± 0.0003 Å |
| b | 27.6488 ± 0.0003 Å |
| c | 23.3343 ± 0.0003 Å |
| α | 90° |
| β | 92.932 ± 0.001° |
| γ | 90° |
| Cell volume | 12507.7 ± 0.3 Å3 |
| Cell temperature | 104 ± 6 K |
| Ambient diffraction temperature | 104.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278571 (current) | 2022-10-14 | cif/ Adding structures of 7711471 via cif-deposit CGI script. |
7711471.cif |
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