Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125804
Preview
Coordinates | 4125804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56.67 H84 F12 N27.33 O15 P2 |
---|---|
Calculated formula | C56.6667 H82 F12 N27.3333 O15.0001 P2 |
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 | 17.8727 ± 0.0002 Å |
b | 18.7412 ± 0.0002 Å |
c | 19.8363 ± 0.0002 Å |
α | 66.321 ± 0.001° |
β | 67.01 ± 0.001° |
γ | 69.406 ± 0.001° |
Cell volume | 5449.88 ± 0.11 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 | 0.0638 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1767 |
Weighted residual factors for all reflections included in the refinement | 0.1792 |
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/4125804.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.