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Information card for entry 3500134
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Coordinates | 3500134.cif |
---|---|
Structure factors | 3500134.hkl |
Common name | Hexane-1,6-diammonium dichloride |
---|---|
Formula | C6 H18 Cl2 N2 |
Calculated formula | C6 H18 Cl2 N2 |
Title of publication | Hexane-1,6-diammonium dichloride at 100 K Refinement using NoSpherA2, an implementation of NOn-SPHERical Atom-form-factors in Olex2 |
Authors of publication | Thierry Maris |
Journal of publication | Personal communication to COD |
Year of publication | 2023 |
a | 4.556 ± 0.0003 Å |
b | 14.1107 ± 0.0009 Å |
c | 15.5164 ± 0.001 Å |
α | 90° |
β | 90.534 ± 0.002° |
γ | 90° |
Cell volume | 997.48 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.0554 |
Weighted residual factors for all reflections included in the refinement | 0.0556 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0623 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/3500134.html
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Users of the data should acknowledge the original authors of the
structural data.