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Information card for entry 7721017
Preview
| Coordinates | 7721017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H69 In K N O7.5 S |
|---|---|
| Calculated formula | C46 H69 In K N O7.5 S |
| Title of publication | Synthesis of Lewis acid-base adducts between trimesityltrieles and potassium cyanate and its heavier homologues |
| Authors of publication | Dollberg, Kevin; Lochte, Mark; Weiß, Pauline; Nitzsche, Joel; Mészáros, Katalin; von Hänisch, Carsten; Tambornino, Frank |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 11.8816 ± 0.0006 Å |
| b | 12.6343 ± 0.0006 Å |
| c | 16.457 ± 0.0008 Å |
| α | 73.966 ± 0.002° |
| β | 89.996 ± 0.002° |
| γ | 85.199 ± 0.002° |
| Cell volume | 2365.3 ± 0.2 Å3 |
| Cell temperature | 299 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1379 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.