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Information card for entry 4126197
Preview
| Coordinates | 4126197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H36 B2 Cu N6 O6 S6 |
|---|---|
| Calculated formula | C18 H36 B2 Cu N6 O6 S6 |
| Title of publication | Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy. |
| Authors of publication | Wong, Y. T. Angel; Landmann, Johannes; Finze, Maik; Bryce, David L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 14.0349 ± 0.0013 Å |
| b | 14.0349 ± 0.0013 Å |
| c | 15.639 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2667.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197623 (current) | 2017-06-08 | cif/ Adding structures of 4126197 via cif-deposit CGI script. |
4126197.cif |
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