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Information card for entry 2241098
Preview
Coordinates | 2241098.cif |
---|---|
Structure factors | 2241098.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate |
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Formula | C69 H87 Br5 Cl18 Co N6 |
Calculated formula | C69 H87 Br5 Cl18 Co N6 |
SMILES | C1=[N+](c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C.[Br-][Co](Br)(Br)[Br-].[Br-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C1=[N+](CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C1=[N+](CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Crystal structure of tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate |
Authors of publication | Rais, Eduard; Flörke, Ulrich; Wilhelm, René |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 10 |
Pages of publication | m177 - m178 |
a | 16.0535 ± 0.0014 Å |
b | 16.0535 ± 0.0014 Å |
c | 61.79 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 13791 ± 3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.0723 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.789 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2241098.html
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