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Information card for entry 7239609
Preview
| Coordinates | 7239609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H10 I2 N2 O4 |
|---|---|
| Calculated formula | C16 H10 I2 N2 O4 |
| Title of publication | Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics |
| Authors of publication | Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 68 |
| Pages of publication | 39662 |
| a | 8.4936 ± 0.0015 Å |
| b | 9.6878 ± 0.0017 Å |
| c | 11.232 ± 0.0019 Å |
| α | 102.855 ± 0.002° |
| β | 100.713 ± 0.0018° |
| γ | 107.846 ± 0.003° |
| Cell volume | 824.9 ± 0.2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0329 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244878 (current) | 2019-12-03 | cif/ Adding structures of 7239609, 7239610, 7239611, 7239612, 7239613, 7239614, 7239615, 7239616, 7239617, 7239618 via cif-deposit CGI script. |
7239609.cif |
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Users of the data should acknowledge the original authors of the
structural data.