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Information card for entry 4060195
Preview
| Coordinates | 4060195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N6 Ni O4 |
|---|---|
| Calculated formula | C32 H24 N6 Ni O4 |
| Title of publication | Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands |
| Authors of publication | Tomasz Fekner; Judith Gallucci; Michael K. Chan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 223 - 236 |
| a | 8.082 ± 0.001 Å |
| b | 11.956 ± 0.001 Å |
| c | 13.813 ± 0.001 Å |
| α | 84.49 ± 0.01° |
| β | 89.44 ± 0.01° |
| γ | 72.38 ± 0.01° |
| Cell volume | 1266 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for all reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Goodness-of-fit parameter for all reflections | 1.038 |
| Goodness-of-fit parameter for significantly intense reflections | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.