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Information card for entry 2241060
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| Coordinates | 2241060.cif |
|---|---|
| Structure factors | 2241060.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride |
|---|---|
| Formula | C12 H18 Cl2 N4 |
| Calculated formula | C12 H18 Cl2 N4 |
| Title of publication | Crystal structure of ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride |
| Authors of publication | Trischler, Aaron; Oshin, Kayode; Pintauer, Tomislav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o692 - o693 |
| a | 8.895 ± 0.001 Å |
| b | 17.676 ± 0.002 Å |
| c | 4.436 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 697.46 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0251 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241060.cif 2241060.hkl |
| 153797 | 2015-08-30 | cif/ hkl/ Adding structures of 2241060 via cif-deposit CGI script. |
2241060.cif 2241060.hkl |
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Users of the data should acknowledge the original authors of the
structural data.