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Information card for entry 3500067
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| Coordinates | 3500067.cif |
|---|---|
| Structure factors | 3500067.hkl |
| Formula | Al Cl3 H12 O6 |
|---|---|
| Calculated formula | Al Cl3 H12 O6 |
| Authors of publication | Maris, Thierry |
| Journal of publication | Personal communication to COD |
| Year of publication | 2017 |
| a | 11.8359 ± 0.0004 Å |
| b | 11.8359 ± 0.0004 Å |
| c | 11.8492 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1437.55 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.263 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197160 (current) | 2017-06-02 | cif/ hkl/ Adding structures of 3500067 via cif-deposit CGI script. |
3500067.cif 3500067.hkl |
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Users of the data should acknowledge the original authors of the
structural data.