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Information card for entry 1568802
Preview
| Coordinates | 1568802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H132 Bi2 Br4 N8 O8 S4 |
|---|---|
| Calculated formula | C100 H120 Bi2 Br4 N8 O8 S4 |
| SMILES | [Bi]123(OS(=O)(=[N]4[Bi]5(OS(=O)(=[N]3c3c(N2c2c(N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)cc(Br)cc2)ccc(Br)c3)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(N(c1c4cc(Br)cc1)c1c(N5S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)cc(Br)cc1)[n]1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[n]1ccccc1.c1ccccc1 |
| Title of publication | Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis |
| Authors of publication | Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S. |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4549 - 4563 |
| a | 16.4085 ± 0.0016 Å |
| b | 18.924 ± 0.0019 Å |
| c | 19.8569 ± 0.0019 Å |
| α | 83.424 ± 0.004° |
| β | 89.804 ± 0.004° |
| γ | 66.363 ± 0.004° |
| Cell volume | 5605.3 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283144 (current) | 2023-05-05 | cif/ Updating files of 1568798, 1568799, 1568800, 1568801, 1568802 Original log message: Adding full bibliography for 1568798--1568802.cif. |
1568802.cif |
| 282485 | 2023-04-07 | cif/ Adding structures of 1568798, 1568799, 1568800, 1568801, 1568802 via cif-deposit CGI script. |
1568802.cif |
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Users of the data should acknowledge the original authors of the
structural data.