Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7119000
Preview
| Coordinates | 7119000.cif |
|---|
| Formula | C37 H33 N5 Ni |
|---|---|
| Calculated formula | C37 H33 N5 Ni |
| Title of publication | Ni^II^ tetrahydronorcorroles: antiaromatic porphyrinoids with saturated pyrrole units |
| Authors of publication | Ryo Nozawa; Keitaro Yamamoto; Ichiro Hisaki; Ji-Young Shin; Hiroshi Shinokubo |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 7106 |
| a | 7.0843 ± 0.0001 Å |
| b | 25.1223 ± 0.0002 Å |
| c | 8.2327 ± 0.0001 Å |
| α | 90° |
| β | 103.844 ± 0.0004° |
| γ | 90° |
| Cell volume | 1422.65 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183182 (current) | 2016-05-31 | cif/ Adding structures of 7119000 via cif-deposit CGI script. |
7119000.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.