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Information card for entry 2022430
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| Coordinates | 2022430.cif |
|---|---|
| Structure factors | 2022430.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate |
|---|---|
| Formula | C24 H40 N4 O16 S2 |
| Calculated formula | C24 H40 N4 O16 S2 |
| Title of publication | Square network based upon the molecular salt of the tetraprotonated photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion |
| Authors of publication | Santana, Carlos L.; Reinheimer, Eric W.; Groeneman, Ryan H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 9.7415 ± 0.0006 Å |
| b | 16.3378 ± 0.0008 Å |
| c | 9.6396 ± 0.0005 Å |
| α | 90° |
| β | 91.68 ± 0.002° |
| γ | 90° |
| Cell volume | 1533.53 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268226 (current) | 2021-08-26 | cif/ hkl/ Adding structures of 2022430 via cif-deposit CGI script. |
2022430.cif 2022430.hkl |
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