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Information card for entry 4130349
Preview
| Coordinates | 4130349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 Mn N4 O5 S |
|---|---|
| Calculated formula | C20 H16 Mn N4 O5 S |
| Title of publication | Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn(II) Chain Compound. |
| Authors of publication | Jeon, Ie-Rang; Sun, Lei; Negru, Bogdan; Van Duyne, Richard P.; Dincă, Mircea; Harris, T. David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 20 |
| Pages of publication | 6583 - 6590 |
| a | 9.1358 ± 0.0002 Å |
| b | 9.1358 ± 0.0002 Å |
| c | 21.2002 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1532.37 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.95 K |
| Number of distinct elements | 6 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240812 (current) | 2019-11-25 | cif/ Adding structures of 4130349 via cif-deposit CGI script. |
4130349.cif |
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