Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7111674
Preview
Coordinates | 7111674.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C106 H83 F12 N19 O13 Pd2 S4 |
---|---|
Calculated formula | C106 H83 F12 N19 O13 Pd2 S4 |
Title of publication | Two-component control of guest binding in a self-assembled cage molecule |
Authors of publication | Liao, Puhong; Langloss, Brian W.; Johnson, Amber M.; Knudsen, Eric R.; Tham, Fook S.; Julian, Ryan R.; Hooley, Richard J. |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 27 |
Pages of publication | 4932 - 4934 |
a | 27.6097 ± 0.0022 Å |
b | 15.0085 ± 0.0012 Å |
c | 14.2322 ± 0.0011 Å |
α | 90° |
β | 107.657 ± 0.0011° |
γ | 90° |
Cell volume | 5619.7 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 8 |
Hermann-Mauguin space group symbol | C 1 m 1 |
Hall space group symbol | C -2y |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7111674.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.