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Information card for entry 7226812
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| Coordinates | 7226812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H72 F16 N2 Ni2 S16 |
|---|---|
| Calculated formula | C64 H72 F16 N2 Ni2 S16 |
| Title of publication | Structure-dependent electronic transitions in a new type of -electron delocalized multi-sulfur bis(dithiolene) nickel complexes |
| Authors of publication | Yu, Qin; Ge, Jing-Yuan; Lv, Zhong-Peng; Wang, Hai-Ying; Zuo, Jing-Lin |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 22.52 ± 0.002 Å |
| b | 18.0442 ± 0.0018 Å |
| c | 19.7173 ± 0.0019 Å |
| α | 90° |
| β | 103.374 ± 0.002° |
| γ | 90° |
| Cell volume | 7794.9 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187386 (current) | 2016-10-18 | cif/ Adding structures of 7226809, 7226810, 7226811, 7226812 via cif-deposit CGI script. |
7226812.cif |
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Users of the data should acknowledge the original authors of the
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