Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233386
Preview
Coordinates | 7233386.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 N5 O7 Zn |
---|---|
Calculated formula | C23 H21 N5 O7 Zn |
Title of publication | Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation |
Authors of publication | He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 43 |
Pages of publication | 25170 |
a | 8.585 ± 0.005 Å |
b | 10.181 ± 0.006 Å |
c | 14.86 ± 0.012 Å |
α | 104.46 ± 0.009° |
β | 101.001 ± 0.009° |
γ | 102.349 ± 0.006° |
Cell volume | 1186.9 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.0972 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
217523 (current) | 2019-08-14 | cif/ Adding structures of 7233385, 7233386, 7233387 via cif-deposit CGI script. |
7233386.cif |
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.