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Information card for entry 1551791
Preview
| Coordinates | 1551791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H24 F12 N4 Zr2 |
|---|---|
| Calculated formula | C6 H24 F12 N4 Zr2 |
| SMILES | C(CC[NH3+])[NH3+].[F]1[Zr](F)(F)(F)([F][Zr]1(F)(F)(F)(F)F)(F)F.C(CC[NH3+])[NH3+] |
| Title of publication | Synthesis and Crystal Structure of Zirconium Fluoride, (H2dap)2[Zr2F12] |
| Authors of publication | ALI, A. Ben; SMIRI, L. S.; LEBLANC, M.; MAISONNEUVE, V. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 37 |
| a | 10.927 ± 0.003 Å |
| b | 7.033 ± 0.003 Å |
| c | 11.577 ± 0.005 Å |
| α | 90° |
| β | 99.1 ± 0.03° |
| γ | 90° |
| Cell volume | 878.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Weighted residual factors for all reflections included in the refinement | 0.0419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216403 (current) | 2019-06-20 | cif/ Adding structures of 1551791 via cif-deposit CGI script. |
1551791.cif |
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