Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7243355
Preview
Coordinates | 7243355.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H19 N10 |
---|---|
Calculated formula | C39 H19 N10 |
Title of publication | Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane |
Authors of publication | Ando, Rempei; Jin, Mingoo; Ito, Hajime |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 33 |
Pages of publication | 5564 - 5568 |
a | 7.7403 ± 0.0001 Å |
b | 17.6776 ± 0.0002 Å |
c | 23.7797 ± 0.0002 Å |
α | 96.408 ± 0.001° |
β | 96.97 ± 0.001° |
γ | 94.633 ± 0.001° |
Cell volume | 3194.85 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0801 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.194 |
Weighted residual factors for all reflections included in the refinement | 0.2108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243355.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.