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Information card for entry 7240536
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| Coordinates | 7240536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | guanidinium ethoxysulfonate |
|---|---|
| Chemical name | guanidinium ethoxysulfonate |
| Formula | C3 H11 N3 O4 S |
| Calculated formula | C3 H11 N3 O4 S |
| Title of publication | Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate |
| Authors of publication | Szafrański, Marek; Jarek, Marcin |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.897 ± 0.0002 Å |
| b | 14.3744 ± 0.0003 Å |
| c | 15.1386 ± 0.0003 Å |
| α | 77.442 ± 0.002° |
| β | 79.666 ± 0.002° |
| γ | 88.939 ± 0.002° |
| Cell volume | 1649.76 ± 0.07 Å3 |
| Cell temperature | 300 ± 0.1 K |
| Ambient diffraction temperature | 300 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0777 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1709 |
| Weighted residual factors for all reflections included in the refinement | 0.1914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252070 (current) | 2020-05-16 | cif/ Adding structures of 7240536 via cif-deposit CGI script. |
7240536.cif |
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