Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7227218
Preview
| Coordinates | 7227218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H15 Cl O12 S8 |
|---|---|
| Calculated formula | C24 H15 Cl O12 S8 |
| Title of publication | Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition |
| Authors of publication | Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 367 |
| a | 7.1809 ± 0.0005 Å |
| b | 9.8084 ± 0.0009 Å |
| c | 10.8511 ± 0.0011 Å |
| α | 66.647 ± 0.002° |
| β | 84.88 ± 0.003° |
| γ | 78.699 ± 0.003° |
| Cell volume | 688.01 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191550 (current) | 2017-02-04 | cif/ Updating files of 7227217, 7227218, 7227219, 7227220, 7227221 Original log message: Adding full bibliography for 7227217--7227221.cif. |
7227218.cif |
| 188826 | 2016-12-02 | cif/ Adding structures of 7227217, 7227218, 7227219, 7227220, 7227221 via cif-deposit CGI script. |
7227218.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.