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Information card for entry 1570199
Preview
| Coordinates | 1570199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H6 F2 I N |
|---|---|
| Calculated formula | C9 H6 F2 I N |
| Title of publication | A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals. |
| Authors of publication | Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 45 |
| Pages of publication | 12995 - 13006 |
| a | 5.0372 ± 0.0001 Å |
| b | 9.9139 ± 0.0003 Å |
| c | 10.6213 ± 0.0003 Å |
| α | 64.766 ± 0.001° |
| β | 82.107 ± 0.001° |
| γ | 87.905 ± 0.001° |
| Cell volume | 475.11 ± 0.02 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0177 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0362 |
| Weighted residual factors for all reflections included in the refinement | 0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288082 (current) | 2023-12-06 | cif/ Updating files of 1570198, 1570199, 1570200, 1570201 Original log message: Adding full bibliography for 1570198--1570201.cif. |
1570199.cif |
| 287115 | 2023-10-26 | cif/ Adding structures of 1570198, 1570199, 1570200, 1570201 via cif-deposit CGI script. |
1570199.cif |
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Users of the data should acknowledge the original authors of the
structural data.