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Information card for entry 1529329
Preview
| Coordinates | 1529329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H36 As F9 N8 O9 S3 |
|---|---|
| Calculated formula | C28 H36 As F9 N8 O9 S3 |
| SMILES | [As]([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.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.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 | 12.3457 ± 0.0011 Å |
| b | 13.3802 ± 0.0012 Å |
| c | 14.5721 ± 0.0013 Å |
| α | 81.4461 ± 0.0011° |
| β | 66.6056 ± 0.001° |
| γ | 72.0828 ± 0.0011° |
| Cell volume | 2101.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1529329.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. |
1529329.cif |
| 152714 | 2015-08-04 | cif/ Adding structures of 1529324, 1529325, 1529326, 1529327, 1529328, 1529329, 1529330 via cif-deposit CGI script. |
1529329.cif |
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Users of the data should acknowledge the original authors of the
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