Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7231796
Preview
| Coordinates | 7231796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H27 Hg N6 S3 |
|---|---|
| Calculated formula | C26 H27 Hg N6 S3 |
| Title of publication | Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence |
| Authors of publication | Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 1 |
| Pages of publication | 94 |
| a | 11.226 ± 0.005 Å |
| b | 11.535 ± 0.005 Å |
| c | 11.969 ± 0.005 Å |
| α | 108.012 ± 0.005° |
| β | 100.682 ± 0.005° |
| γ | 90.099 ± 0.005° |
| Cell volume | 1445.5 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223519 (current) | 2019-11-07 | cif/ Updating files of 7231794, 7231795, 7231796 Original log message: Adding full bibliography for 7231794--7231796.cif. |
7231796.cif |
| 211932 | 2018-11-14 | cif/ Adding structures of 7231794, 7231795, 7231796 via cif-deposit CGI script. |
7231796.cif |
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.