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Information card for entry 7236243
Preview
| Coordinates | 7236243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H64 Ca N4 P2 S2 |
|---|---|
| Calculated formula | C62 H64 Ca N4 P2 S2 |
| Title of publication | Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis |
| Authors of publication | Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 63 |
| Pages of publication | 57835 |
| a | 22.6518 ± 0.0006 Å |
| b | 10.3398 ± 0.0002 Å |
| c | 25.6988 ± 0.0007 Å |
| α | 90° |
| β | 115.912 ± 0.003° |
| γ | 90° |
| Cell volume | 5413.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235303 (current) | 2019-11-23 | cif/ Adding structures of 7236241, 7236242, 7236243 via cif-deposit CGI script. |
7236243.cif |
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Users of the data should acknowledge the original authors of the
structural data.