Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043491
Preview
| Coordinates | 7043491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H124 Mg2 N4 O14 |
|---|---|
| Calculated formula | C100 H124 Mg2 N4 O14 |
| Title of publication | Electrochemical and Structural Investigation of the Interactions between Naphthalene Diimides and Metal Cations |
| Authors of publication | Reiner, Benjamin R.; Foxman, Bruce M.; Wade, Casey R. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 21.5029 ± 0.0015 Å |
| b | 19.1115 ± 0.0014 Å |
| c | 27.069 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11124.1 ± 1.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1471 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections | 0.2899 |
| Weighted residual factors for significantly intense reflections | 0.2307 |
| Weighted residual factors for all reflections included in the refinement | 0.2899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9786 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198228 (current) | 2017-06-29 | cif/ Adding structures of 7043491 via cif-deposit CGI script. |
7043491.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.