Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245653
Preview
Coordinates | 7245653.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-carboxypyridinium hydrogen squarate |
---|---|
Chemical name | picolinium hydrogen squarate |
Formula | C10 H7 N O6 |
Calculated formula | C10 H7 N O6 |
Title of publication | Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid |
Authors of publication | Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 11.2508 ± 0.0009 Å |
b | 16.8024 ± 0.0009 Å |
c | 11.2451 ± 0.0009 Å |
α | 90° |
β | 115.211 ± 0.01° |
γ | 90° |
Cell volume | 1923.3 ± 0.3 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/7245653.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.