Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7057755
Preview
Coordinates | 7057755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H26 N4 O12 S2 Zn2 |
---|---|
Calculated formula | C40 H26 N4 O12 S2 Zn2 |
Title of publication | Acid- and base-stable porous mechanically interlocked 2D metal‒organic polyrotaxane for in situ organochlorine insecticide encapsulation, sensing and removal |
Authors of publication | Abdolalian, Payam; Morsali, Ali; Makhloufi, Gamall; Janiak, Christoph |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 22 |
Pages of publication | 18152 |
a | 11.7927 ± 0.001 Å |
b | 12.7479 ± 0.0011 Å |
c | 17.1763 ± 0.0016 Å |
α | 103.52 ± 0.004° |
β | 105.261 ± 0.004° |
γ | 97.511 ± 0.004° |
Cell volume | 2370.6 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0952 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7057755.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.