Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7131674
Preview
Coordinates | 7131674.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | CP-Py-2-TCB |
---|---|
Formula | C56 H32 Cl6 O8 |
Calculated formula | C56 H32 Cl6 O8 |
Title of publication | Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene. |
Authors of publication | Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 47 |
Pages of publication | 7224 - 7227 |
a | 27.5399 ± 0.0014 Å |
b | 11.8206 ± 0.0008 Å |
c | 7.2355 ± 0.0004 Å |
α | 90° |
β | 92.898 ± 0.005° |
γ | 90° |
Cell volume | 2352.4 ± 0.2 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 K |
Number of distinct elements | 4 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7131674.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.