Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312554
Preview
Coordinates | 2312554.cif |
---|---|
Structure factors | 2312554.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[4-cyano-<i>N</i>-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide |
---|---|
Formula | C28 H20 Br5 N6 Sb |
Calculated formula | C28 H20 Br4.975 N6 Sb |
Title of publication | Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding. |
Authors of publication | Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 23.8054 ± 0.0012 Å |
b | 23.8054 ± 0.0012 Å |
c | 7.3222 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4149.5 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.073 |
Weighted residual factors for significantly intense reflections | 0.2187 |
Weighted residual factors for all reflections included in the refinement | 0.2203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 1.34138 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
293406 (current) | 2024-07-13 | cif/ hkl/ Adding structures of 2312553, 2312554 via cif-deposit CGI script. |
2312554.cif 2312554.hkl |
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.