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Information card for entry 7044190
Preview
| Coordinates | 7044190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H29 N3 P2 S |
|---|---|
| Calculated formula | C12 H29 N3 P2 S |
| SMILES | P1(=S)N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C |
| Title of publication | Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane |
| Authors of publication | Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 9.958 ± 0.002 Å |
| b | 11.381 ± 0.002 Å |
| c | 15.909 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1803 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200593 (current) | 2017-09-12 | cif/ Adding structures of 7044188, 7044189, 7044190, 7044191 via cif-deposit CGI script. |
7044190.cif |
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Users of the data should acknowledge the original authors of the
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