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Information card for entry 7206008
Preview
Coordinates | 7206008.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2)) |
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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 |
SMILES | [Cu]123([n]4c5c(c(nc[n]5[Cu]([n]5cnc(c6c5[n]3c[nH]6)N)([n]3c5c(c(nc[n]15)N)[nH]c3)([n]1c3c(c(nc[n]23)N)[nH]c1)Cl)N)[nH]c4)Cl.[Cl-].[Cl-] |
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 | 26.903 ± 0.002 Å |
b | 26.903 ± 0.002 Å |
c | 15.43 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 9671.6 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7206008.html
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