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Information card for entry 4125805
Preview
Coordinates | 4125805.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H83 B F4 N25 O16 |
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Calculated formula | C52 H83 B F4 N25 O16 |
Title of publication | Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. |
Authors of publication | Fiala, Tomas; Ludvíková, Lucie; Heger, Dominik; Švec, Jan; Slanina, Tomáš; Vetráková, L'ubica; Babiak, Michal; Nečas, Marek; Kulhánek, Petr; Klán, Petr; Sindelar, Vladimir |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 7 |
Pages of publication | 2597 - 2603 |
a | 11.9917 ± 0.0003 Å |
b | 15.268 ± 0.0005 Å |
c | 21.2185 ± 0.0005 Å |
α | 95.821 ± 0.002° |
β | 91 ± 0.002° |
γ | 107.853 ± 0.003° |
Cell volume | 3673.9 ± 0.19 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0688 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1791 |
Weighted residual factors for all reflections included in the refinement | 0.1853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4125805.html
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Users of the data should acknowledge the original authors of the
structural data.