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Information card for entry 4517990
Preview
| Coordinates | 4517990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H3 Ag F3 N7 O5 S |
|---|---|
| Calculated formula | C11 H3 Ag F3 N7 O5 S |
| Title of publication | Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities. |
| Authors of publication | Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 13.049 ± 0.0006 Å |
| b | 13.049 ± 0.0006 Å |
| c | 39.4798 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6722.5 ± 0.5 Å3 |
| Cell temperature | 165 ± 2 K |
| Ambient diffraction temperature | 165 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255716 (current) | 2020-08-29 | cif/ Adding structures of 4517990 via cif-deposit CGI script. |
4517990.cif |
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Users of the data should acknowledge the original authors of the
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