Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015325
2015324 << 2015325 >> 2015326Preview
|
Coordinates |
2015325.cif |
|
Structure factors |
2015325.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II) |
| Formula | - C22 H43 Cl3 Fe N6 - |
| Calculated formula | - C22 H43 Cl3 Fe N6 - |
| Title of publication | Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II) |
| Authors of publication | Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | m217 - m219 |
| a | 9.6108 ± 0.0001 Å |
| b | 9.6349 ± 0.0001 Å |
| c | 30.6453 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2837.73 ± 0.05 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0285 |
| Residual factor for observed reflections | 0.0247 |
| Weighted residual factors for the observed reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for observed reflections | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |