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Information card for entry 7117990
Preview
| Coordinates | 7117990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1_300K |
|---|---|
| Formula | C46 N6 Ni2 O2 S10 |
| Calculated formula | C46 N6 Ni2 O2 S10 |
| Title of publication | A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex |
| Authors of publication | Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15796 |
| a | 10.6962 ± 0.0014 Å |
| b | 20.721 ± 0.003 Å |
| c | 13.8764 ± 0.0019 Å |
| α | 90° |
| β | 98.222 ± 0.007° |
| γ | 90° |
| Cell volume | 3043.9 ± 0.7 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.207 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.2428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.84 |
| Diffraction radiation wavelength | 0.6996 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169747 (current) | 2015-10-26 | cif/ Adding structures of 7117985, 7117986, 7117987, 7117988, 7117989, 7117990, 7117991 via cif-deposit CGI script. |
7117990.cif |
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