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Information card for entry 1551653
Preview
| Coordinates | 1551653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Cd Cl6 N4 O2 |
|---|---|
| Calculated formula | C12 H24 Cd Cl6 N4 O2 |
| SMILES | C(c1ccc[nH+]c1)[NH3+].O.[Cd](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].C(c1ccc[nH+]c1)[NH3+].O |
| Title of publication | Synthesis and Crystal Structure of Bis[3-(ammoniomethyl)pyridinium]-hexachloridocadmate Dihydrate |
| Authors of publication | KEFI, R.; ZELLER, M.; NASR, C. Ben |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 1 |
| a | 7.7067 ± 0.0012 Å |
| b | 7.784 ± 0.0011 Å |
| c | 9.6014 ± 0.0016 Å |
| α | 81.517 ± 0.005° |
| β | 82.723 ± 0.005° |
| γ | 66.728 ± 0.006° |
| Cell volume | 521.84 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0174 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections included in the refinement | 0.0428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216264 (current) | 2019-06-20 | cif/ Adding structures of 1551653 via cif-deposit CGI script. |
1551653.cif |
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