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Information card for entry 8105027
Preview
| Coordinates | 8105027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H34 N2 Na2 O7 S4 |
|---|---|
| Calculated formula | C16 H34 N2 Na2 O7 S4 |
| Title of publication | Crystal structure of catena-{[tri-aqua-di-sodium bis(2-{[n-butyl(methyl)carbamothioyl]sulfanyl}acetate)]}n, [C16H34N2Na2O7S4]n |
| Authors of publication | Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 91 - 94 |
| a | 5.3734 ± 0.0001 Å |
| b | 11.0473 ± 0.0002 Å |
| c | 22.2264 ± 0.0005 Å |
| α | 102.075 ± 0.002° |
| β | 96.202 ± 0.002° |
| γ | 97.383 ± 0.002° |
| Cell volume | 1267.06 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274339 (current) | 2022-04-05 | cif/ Adding structures of 8105027 via cif-deposit CGI script. |
8105027.cif |
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Users of the data should acknowledge the original authors of the
structural data.