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Information card for entry 2312717
Preview
| Coordinates | 2312717.cif |
|---|---|
| Structure factors | 2312717.hkl |
| Original IUCr paper | HTML |
| Formula | C54 H54 N2 Na2 O18 |
|---|---|
| Calculated formula | C54 H54 N2 Na2 O18 |
| Title of publication | Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. |
| Authors of publication | Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 17.1314 ± 0.0001 Å |
| b | 17.1314 ± 0.0001 Å |
| c | 35.164 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10320.1 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1896 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296196 (current) | 2024-12-03 | cif/ hkl/ Adding structures of 2312709, 2312710, 2312711, 2312712, 2312713, 2312714, 2312715, 2312716, 2312717 via cif-deposit CGI script. |
2312717.cif 2312717.hkl |
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Users of the data should acknowledge the original authors of the
structural data.