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Information card for entry 7044652
Preview
| Coordinates | 7044652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H7 I4 N2 Sb |
|---|---|
| Calculated formula | C4 H7 I4 N2 Sb |
| Title of publication | The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm)SbI4 organic-inorganic hybrid |
| Authors of publication | Gągor, Anna; Banach, Grzegorz; Węławik, Magdalena; Piecha-Bisiorek, Anna; Jakubas, Ryszard |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 13.5504 ± 0.0008 Å |
| b | 12.8989 ± 0.0008 Å |
| c | 7.8275 ± 0.0004 Å |
| α | 90° |
| β | 94.392 ± 0.006° |
| γ | 90° |
| Cell volume | 1364.11 ± 0.14 Å3 |
| Cell temperature | 330 ± 2 K |
| Ambient diffraction temperature | 330 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202879 (current) | 2017-11-07 | cif/ Adding structures of 7044652 via cif-deposit CGI script. |
7044652.cif |
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Users of the data should acknowledge the original authors of the
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