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Information card for entry 7042993
Preview
| Coordinates | 7042993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H54 O15 P2 S6 |
|---|---|
| Calculated formula | C42 H54 O15 P2 S6 |
| Title of publication | Synthesis of Bis(trithio)phosphines by Oxidative Transfer of Phosphorus(I) |
| Authors of publication | Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Rawson, Jeremy Michael; Macdonald, Charles L. B. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 8.395 ± 0.0013 Å |
| b | 14.979 ± 0.002 Å |
| c | 19.671 ± 0.003 Å |
| α | 85.76 ± 0.006° |
| β | 78.209 ± 0.005° |
| γ | 74.703 ± 0.006° |
| Cell volume | 2335.1 ± 0.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 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 | 0.1135 |
| Residual factor for significantly intense reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.2109 |
| Weighted residual factors for all reflections included in the refinement | 0.2253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196731 (current) | 2017-05-18 | cif/ Adding structures of 7042991, 7042992, 7042993 via cif-deposit CGI script. |
7042993.cif |
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Users of the data should acknowledge the original authors of the
structural data.