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Information card for entry 1529327
Preview
| Coordinates | 1529327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H51 F9 N5 O9 S3 Sb |
|---|---|
| Calculated formula | C41 H51 F9 N5 O9 S3 Sb |
| SMILES | [Sb]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)[n]1c(cc(cc1)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC |
| Title of publication | Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations |
| Authors of publication | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6545 |
| a | 14.0078 ± 0.0005 Å |
| b | 17.6534 ± 0.0006 Å |
| c | 22.0396 ± 0.0007 Å |
| α | 90° |
| β | 108.34 ± 0.0004° |
| γ | 90° |
| Cell volume | 5173.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529327.cif |
| 170991 | 2015-12-09 | cif/ Updating files of 1529324, 1529325, 1529326, 1529327, 1529328, 1529329, 1529330 Original log message: Adding full bibliography for 1529324--1529330.cif. |
1529327.cif |
| 152714 | 2015-08-04 | cif/ Adding structures of 1529324, 1529325, 1529326, 1529327, 1529328, 1529329, 1529330 via cif-deposit CGI script. |
1529327.cif |
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