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Information card for entry 1551689
Preview
| Coordinates | 1551689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H76 B2 Ni O6 S6 |
|---|---|
| Calculated formula | C60 H76 B2 Ni O6 S6 |
| Title of publication | Structural Features of Hexakis-DMSO Nickel(II) Complex Cations: Pseudo-S6- and Pseudo-S4-Propeller-Like Structures |
| Authors of publication | SUDO, Reiji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 0 |
| Pages of publication | 17 |
| a | 12.4224 ± 0.0017 Å |
| b | 12.5588 ± 0.0018 Å |
| c | 12.9099 ± 0.0018 Å |
| α | 61.745 ± 0.002° |
| β | 89.999 ± 0.002° |
| γ | 63.942 ± 0.002° |
| Cell volume | 1537.8 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216300 (current) | 2019-06-20 | cif/ Adding structures of 1551689 via cif-deposit CGI script. |
1551689.cif |
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