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Information card for entry 4080927
Preview
Coordinates | 4080927.cif |
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Original paper (by DOI) | HTML |
Chemical name | corannulene-(dicyclohexano-18-crown-6-ether)-rubidium) |
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Formula | C80 H92 O12 Rb2 |
Calculated formula | C80 H92 O12 Rb2 |
Title of publication | Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces |
Authors of publication | Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 14 |
Pages of publication | 3773 |
a | 12.9571 ± 0.0017 Å |
b | 16.261 ± 0.002 Å |
c | 17.386 ± 0.002 Å |
α | 77.048 ± 0.002° |
β | 77.34 ± 0.002° |
γ | 71.372 ± 0.002° |
Cell volume | 3339.5 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080927.html
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