Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4120433
Preview
Coordinates | 4120433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 Cl2 Cu2 N16 O13 |
---|---|
Calculated formula | C36 H52 Cl2 Cu2 N16 O13 |
Title of publication | Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks. |
Authors of publication | Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 2 |
Pages of publication | 671 - 678 |
a | 21.5868 ± 0.001 Å |
b | 7.3214 ± 0.0003 Å |
c | 18.2301 ± 0.001 Å |
α | 90° |
β | 116.799 ± 0.003° |
γ | 90° |
Cell volume | 2571.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.1354 |
Residual factor for significantly intense reflections | 0.113 |
Weighted residual factors for significantly intense reflections | 0.3167 |
Weighted residual factors for all reflections included in the refinement | 0.3414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120433.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.