Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120731
Preview
| Coordinates | 7120731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H84 N8 Zn1.5 |
|---|---|
| Calculated formula | C81 H84 N8 Zn1.5 |
| Title of publication | Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays |
| Authors of publication | Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 9.3496 ± 0.0004 Å |
| b | 15.1615 ± 0.0005 Å |
| c | 30.0085 ± 0.0012 Å |
| α | 95.63 ± 0.003° |
| β | 95.061 ± 0.003° |
| γ | 104.331 ± 0.003° |
| Cell volume | 4073.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1742 |
| Residual factor for significantly intense reflections | 0.1137 |
| Weighted residual factors for significantly intense reflections | 0.315 |
| Weighted residual factors for all reflections included in the refinement | 0.3688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201570 (current) | 2017-10-03 | cif/ Adding structures of 7120731, 7120732 via cif-deposit CGI script. |
7120731.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.