Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4002647
Preview
Coordinates | 4002647.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H26 N3.33 O8 Zn2 |
---|---|
Calculated formula | C36 H26 N3.33333 O8 Zn2 |
Title of publication | Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials |
Authors of publication | Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G. |
Journal of publication | Chemistry of Materials |
Year of publication | 2016 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 368 |
a | 32.8962 ± 0.0008 Å |
b | 32.8962 ± 0.0008 Å |
c | 40.309 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 37777 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.124 |
Residual factor for significantly intense reflections | 0.1083 |
Weighted residual factors for significantly intense reflections | 0.3194 |
Weighted residual factors for all reflections included in the refinement | 0.3445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4002647.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.