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Information card for entry 2108107
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| Coordinates | 2108107.cif |
|---|---|
| Structure factors | 2108107.hkl |
| Original IUCr paper | HTML |
| Chemical name | Piperazine-1,4-diium diiodide diiodine |
|---|---|
| Formula | C4 H12 I4 N2 |
| Calculated formula | C4 H12 I4 N2 |
| SMILES | [I-].II.[I-].[NH2+]1CC[NH2+]CC1 |
| Title of publication | Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron |
| Authors of publication | Bujak, Maciej |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 432 - 442 |
| a | 6.4948 ± 0.0005 Å |
| b | 7.4032 ± 0.0006 Å |
| c | 8.0819 ± 0.0005 Å |
| α | 64.087 ± 0.007° |
| β | 67.276 ± 0.007° |
| γ | 69.593 ± 0.007° |
| Cell volume | 314.73 ± 0.05 Å3 |
| Cell temperature | 85 ± 0.5 K |
| Ambient diffraction temperature | 85 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0241 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199056 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108102, 2108103, 2108104, 2108105, 2108106, 2108107 via cif-deposit CGI script. |
2108107.cif 2108107.hkl |
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Users of the data should acknowledge the original authors of the
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