Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710480
Preview
| Coordinates | 7710480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H70 B2 Cl4 F48 Fe N4 P2 |
|---|---|
| Calculated formula | C112 H70 B2 Cl4 F48 Fe N4 P2 |
| Title of publication | Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength |
| Authors of publication | Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.6141 ± 0.0004 Å |
| b | 18.3139 ± 0.0006 Å |
| c | 24.3958 ± 0.0008 Å |
| α | 90° |
| β | 95.214 ± 0.002° |
| γ | 90° |
| Cell volume | 5612.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276011 (current) | 2022-06-14 | cif/ Adding structures of 7710473, 7710474, 7710475, 7710476, 7710477, 7710478, 7710479, 7710480 via cif-deposit CGI script. |
7710480.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.