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Information card for entry 7710157
Preview
| Coordinates | 7710157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58.35 H61.71 B2 Cl4.7 N2 P |
|---|---|
| Calculated formula | C58.353 H61.706 B2 Cl4.706 N2 P |
| Title of publication | Crystalline phosphino-functionalized mesoionic olefins (p-MIOs) |
| Authors of publication | Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 11.6389 ± 0.0003 Å |
| b | 15.0221 ± 0.0005 Å |
| c | 15.9346 ± 0.0005 Å |
| α | 83.088 ± 0.003° |
| β | 75.067 ± 0.003° |
| γ | 80.567 ± 0.003° |
| Cell volume | 2646.59 ± 0.15 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274817 (current) | 2022-05-03 | cif/ Adding structures of 7710155, 7710156, 7710157, 7710158, 7710159 via cif-deposit CGI script. |
7710157.cif |
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Users of the data should acknowledge the original authors of the
structural data.