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Information card for entry 1557450
Preview
| Coordinates | 1557450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H80 Cl15 Ga3 N3 P |
|---|---|
| Calculated formula | C59 H80 Cl15 Ga3 N3 P |
| SMILES | [Ga](Cl)(Cl)(Cl)[Cl][Ga](Cl)(Cl)Cl.[Ga](Cl)(Cl)([Cl-])Cl.ClCCl.ClCCl.P(=C(c1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)C1=[N+](C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications |
| Authors of publication | Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 7 |
| Pages of publication | 1975 - 1984 |
| a | 19.16275 ± 0.00015 Å |
| b | 13.46701 ± 0.0001 Å |
| c | 28.2924 ± 0.0002 Å |
| α | 90° |
| β | 94.584 ± 0.0007° |
| γ | 90° |
| Cell volume | 7277.92 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257364 (current) | 2020-10-06 | cif/ Updating files of 1557449, 1557450, 1557451, 1557452, 1557453, 1557454, 1557455 Original log message: Adding full bibliography for 1557449--1557455.cif. |
1557450.cif |
| 248752 | 2020-03-04 | cif/ Adding structures of 1557449, 1557450, 1557451, 1557452, 1557453, 1557454, 1557455 via cif-deposit CGI script. |
1557450.cif |
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Users of the data should acknowledge the original authors of the
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