Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241325
Preview
Coordinates | 7241325.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 Br8 N4 O10 |
---|---|
Calculated formula | C26 H20 Br8 N4 O10 |
Title of publication | Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis |
Authors of publication | Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 8.914 ± 0.002 Å |
b | 10.446 ± 0.003 Å |
c | 10.466 ± 0.003 Å |
α | 65.089 ± 0.007° |
β | 86.05 ± 0.008° |
γ | 75.658 ± 0.008° |
Cell volume | 855.6 ± 0.4 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 | 0.0834 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for significantly intense reflections | 0.2164 |
Weighted residual factors for all reflections included in the refinement | 0.2302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
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/7241325.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.