Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710970
Preview
| Coordinates | 7710970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H114 Cl3 N10 O Zn2 |
|---|---|
| Calculated formula | C87 H113 N10 O Zn2 |
| Title of publication | Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations |
| Authors of publication | Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 14.3576 ± 0.0014 Å |
| b | 15.2387 ± 0.0015 Å |
| c | 20.936 ± 0.002 Å |
| α | 82.666 ± 0.002° |
| β | 75.427 ± 0.002° |
| γ | 65.717 ± 0.002° |
| Cell volume | 4039.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1624 |
| Residual factor for significantly intense reflections | 0.1182 |
| Weighted residual factors for significantly intense reflections | 0.2339 |
| Weighted residual factors for all reflections included in the refinement | 0.2525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277249 (current) | 2022-08-16 | cif/ Adding structures of 7710969, 7710970, 7710971, 7710972 via cif-deposit CGI script. |
7710970.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.