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CIF Information Card
Information card for 7206007
7206006 << 7206007 >> 7206008Preview
|
Coordinates |
7206007.cif |
Structure parameters
| Common name | (Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2)) |
| Chemical name | [Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)] |
| Formula | - C22 H28 Cl4 Cu2 N20 O2 - |
| Calculated formula | - C20 H20 Cl4 Cu2 N20 - |
| Title of publication | Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities |
| Authors of publication | Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 3301 |
| a | 26.82 ± 0.001 Å |
| b | 26.82 ± 0.001 Å |
| c | 15.528 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9673.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | R -3 m :H |
| Hall symmetry space group | -R 3 2" |
| Residual factor for all reflections | 0.1002 |
| Residual factor for observed reflections | 0.0793 |
| Weighted residual factors for the observed reflections | 0.2501 |
| Weighted residual factors for all reflections included in the refinement | 0.2601 |
| Goodness-of-fit parameter for observed reflections | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |