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Information card for entry 7241626
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| Coordinates | 7241626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H88 N6 |
|---|---|
| Calculated formula | C72 H88 N6 |
| Title of publication | Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes |
| Authors of publication | Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 69 |
| Pages of publication | 42164 - 42171 |
| a | 12.2815 ± 0.0002 Å |
| b | 10.7523 ± 0.0003 Å |
| c | 23.4308 ± 0.0004 Å |
| α | 90° |
| β | 94.34 ± 0.001° |
| γ | 90° |
| Cell volume | 3085.27 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259346 (current) | 2020-11-30 | cif/ Adding structures of 7241625, 7241626, 7241627 via cif-deposit CGI script. |
7241626.cif |
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Users of the data should acknowledge the original authors of the
structural data.