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Information card for entry 7121309
Preview
| Coordinates | 7121309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37.5 H65 B Br Cl3 Ni O2 P2 S |
|---|---|
| Calculated formula | C37.5 H62 B Br Cl3 Ni O2 P2 S |
| Title of publication | Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes. |
| Authors of publication | Terada, Misaki; Nishii, Yuji; Miura, Masahiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 23 |
| Pages of publication | 2918 - 2921 |
| a | 8.752 ± 0.013 Å |
| b | 21.67 ± 0.03 Å |
| c | 22.43 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4254 ± 10 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1337 |
| Residual factor for significantly intense reflections | 0.0955 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228452 (current) | 2019-11-17 | cif/ Updating files of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 Original log message: Adding full bibliography for 7121308--7121314.cif. |
7121309.cif |
| 206631 | 2018-02-24 | cif/ Adding structures of 7121308, 7121309, 7121310, 7121311, 7121312, 7121313, 7121314 via cif-deposit CGI script. |
7121309.cif |
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Users of the data should acknowledge the original authors of the
structural data.