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Information card for entry 7201244
Preview
Coordinates | 7201244.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H114 Cl Co6 N24 O18 |
---|---|
Calculated formula | C66 H114 Cl Co6 N24 O18 |
SMILES | C[N]1(C)CC[N](C)(C)[Co]2341[n]1ccc[n]5c1C(O3)=[O][Co]135([n]5ccc[n]6c5C(O3)=[O][Co]356([n]6ccc[n]7c6C(O5)=[O][Co]567([n]7ccc[n]8[Co]9%10([n]%11ccc[n]%12c%11C(O%10)=[O][Co]%10%11%12([n]%12ccc[n]2c%12C(O%11)=[O]4)[N](C)(C)CC[N]%10(C)C)([N](C)(C)CC[N]9(C)C)O[C](c78)O6)[N](C)(C)CC[N]5(C)C)[N](C)(C)CC[N]3(C)C)[N](C)(C)CC[N]1(C)C.O=Cl(=O)(=O)[O-] |
Title of publication | Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties |
Authors of publication | Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A. |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 10 |
Pages of publication | 2054 |
a | 18.109 ± 0.005 Å |
b | 27.02 ± 0.005 Å |
c | 22.118 ± 0.005 Å |
α | 90 ± 0.005° |
β | 99.74 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 10666 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0672 |
Weighted residual factors for significantly intense reflections | 0.1753 |
Weighted residual factors for all reflections included in the refinement | 0.1846 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
Diffraction radiation wavelength | 0.71069 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/7201244.html
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