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Information card for entry 2020790
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| Coordinates | 2020790.cif |
|---|---|
| Structure factors | 2020790.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triguanidinium hexafluoridovanadate(III) |
|---|---|
| Formula | C3 H18 F6 N9 V |
| Calculated formula | C3 H18 F6 N9 V |
| SMILES | [V](F)(F)(F)([F-])([F-])[F-].NC(=[NH2+])N.NC(=[NH2+])N.NC(=[NH2+])N |
| Title of publication | Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite |
| Authors of publication | Black, Cameron; Lightfoot, Philip |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 244 - 246 |
| a | 14.095 ± 0.003 Å |
| b | 14.095 ± 0.003 Å |
| c | 14.095 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2800.2 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.319 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199081 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020790 via cif-deposit CGI script. |
2020790.cif 2020790.hkl |
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Users of the data should acknowledge the original authors of the
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