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Information card for entry 7714746
Preview
| Coordinates | 7714746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DAT-MOF-3 |
|---|---|
| Formula | C100 H59 N8 O24 Zn6 |
| Calculated formula | C100 H59 N8 O24 Zn6 |
| Title of publication | Radical qubits photo-generated in acene-based metal-organic frameworks. |
| Authors of publication | Orihashi, Kana; Yamauchi, Akio; Inoue, Miku; Parmar, Bhavesh; Fujiwara, Saiya; Kimizuka, Nobuo; Asada, Mizue; Nakamura, Toshikazu; Yanai, Nobuhiro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 872 - 876 |
| a | 18.5415 ± 0.0005 Å |
| b | 18.8522 ± 0.0003 Å |
| c | 23.5975 ± 0.0005 Å |
| α | 101.451 ± 0.002° |
| β | 110.314 ± 0.002° |
| γ | 90.019 ± 0.002° |
| Cell volume | 7559.9 ± 0.3 Å3 |
| Cell temperature | 99.93 ± 0.14 K |
| Ambient diffraction temperature | 99.93 ± 0.14 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.121 |
| Residual factor for significantly intense reflections | 0.111 |
| Weighted residual factors for significantly intense reflections | 0.3064 |
| Weighted residual factors for all reflections included in the refinement | 0.3154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289561 (current) | 2024-02-04 | cif/ Updating files of 7714745, 7714746 Original log message: Adding full bibliography for 7714745--7714746.cif. |
7714746.cif |
| 288363 | 2023-12-16 | cif/ Adding structures of 7714745, 7714746 via cif-deposit CGI script. |
7714746.cif |
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Users of the data should acknowledge the original authors of the
structural data.