Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551270
Preview
Coordinates | 1551270.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H26 N6 O8 Zn |
---|---|
Calculated formula | C13 H26 N6 O8 Zn |
Title of publication | Chemical control of structure and guest uptake by a conformationally mobile porous material |
Authors of publication | Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky |
Journal of publication | Nature |
Year of publication | 2019 |
Journal volume | 565 |
Pages of publication | 213 - 217 |
a | 9.6861 ± 0.0004 Å |
b | 8.9799 ± 0.0003 Å |
c | 11.4935 ± 0.0006 Å |
α | 90° |
β | 106.106 ± 0.005° |
γ | 90° |
Cell volume | 960.47 ± 0.08 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
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/1551270.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.