Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709163
Preview
Coordinates | 7709163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H10 N6 O7 Zn |
---|---|
Calculated formula | C11 H10 N6 O7 Zn |
SMILES | [Zn]1(ON(=O)=O)(ON(=O)=O)([OH2])[n]2c(n3[n]1c1cccnc1c3)cccc2 |
Title of publication | Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines |
Authors of publication | Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S. |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 24.908 ± 0.003 Å |
b | 7.1377 ± 0.0007 Å |
c | 16.5359 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2939.8 ± 0.5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271593 (current) | 2021-12-23 | cif/ Adding structures of 7709157, 7709158, 7709159, 7709160, 7709161, 7709162, 7709163, 7709164, 7709165, 7709166, 7709167 via cif-deposit CGI script. |
7709163.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.