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Information card for entry 4087940
Preview
| Coordinates | 4087940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 Cl2 N2 P2 |
|---|---|
| Calculated formula | C38 H30 Cl2 N2 P2 |
| SMILES | c1(ccccc1)[P+]1(c2ccccc2)c2ccccc2NC2=C1Nc1c(cccc1)[P+]2(c1ccccc1)c1ccccc1.[Cl-].[Cl-] |
| Title of publication | The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides |
| Authors of publication | Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 24 |
| Pages of publication | 5697 |
| a | 14.5972 ± 0.0003 Å |
| b | 14.7429 ± 0.0003 Å |
| c | 18.6732 ± 0.0004 Å |
| α | 90° |
| β | 106.922 ± 0.003° |
| γ | 90° |
| Cell volume | 3844.57 ± 0.15 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0951 |
| Residual factor for significantly intense reflections | 0.0836 |
| Weighted residual factors for significantly intense reflections | 0.2442 |
| Weighted residual factors for all reflections included in the refinement | 0.2617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237144 (current) | 2019-11-24 | cif/ Adding structures of 4087940 via cif-deposit CGI script. |
4087940.cif |
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Users of the data should acknowledge the original authors of the
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