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Information card for entry 7707138
Preview
Coordinates | 7707138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H66 Br6 N18 O3 |
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Calculated formula | C78 H66 Br6 N18 O3 |
Title of publication | About the relevance of anion-π interactions in water. |
Authors of publication | Pitarch-Jarque, Javier; Zaragozá, Ramón J; Ballesteros, Rafael; Abarca, Belen; Garcia-España, Enrique; Verdejo, Begoña; Ballesteros-Garrido, Rafael |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 20 |
Pages of publication | 6834 - 6839 |
a | 12.3635 ± 0.0009 Å |
b | 23.3233 ± 0.0015 Å |
c | 13.8839 ± 0.0012 Å |
α | 90° |
β | 113.41 ± 0.01° |
γ | 90° |
Cell volume | 3674 ± 0.6 Å3 |
Cell temperature | 119.9 ± 0.3 K |
Ambient diffraction temperature | 119.9 ± 0.3 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0924 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7707138.html
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Users of the data should acknowledge the original authors of the
structural data.