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Information card for entry 1542547
Preview
| Coordinates | 1542547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate |
|---|---|
| Chemical name | N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate |
| Formula | C18 H16 B2 F8 N4 |
| Calculated formula | C18 H16 B2 F8 N4 |
| SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n+]1(C)c2ccccc2nc(c1)c1nc2c([n+](C)c1)cccc2 |
| Title of publication | A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform |
| Authors of publication | Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 3820 |
| a | 7.547 ± 0.0008 Å |
| b | 7.886 ± 0.0007 Å |
| c | 8.992 ± 0.0009 Å |
| α | 66.005 ± 0.007° |
| β | 85.305 ± 0.008° |
| γ | 83.508 ± 0.008° |
| Cell volume | 485.4 ± 0.09 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542547.cif |
| 185134 | 2016-08-07 | cif/ Updating files of 1542547, 1542548, 1542549 Original log message: Adding full bibliography for 1542547--1542549.cif. |
1542547.cif |
| 176895 | 2016-02-25 | cif/ Adding structures of 1542547, 1542548, 1542549 via cif-deposit CGI script. |
1542547.cif |
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Users of the data should acknowledge the original authors of the
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