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Information card for entry 2244146
Preview
| Coordinates | 2244146.cif |
|---|---|
| Structure factors | 2244146.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris(dicyclohexylamido)(4-fluorobenzonitrile)titanium methyltris(pentafluorophenyl)borate toluene sesquisolvate |
|---|---|
| Formula | C72.5 H85 B F16 N4 Ti |
| Calculated formula | C72.5 H85 B F16 N4 Ti |
| Title of publication | Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2) |
| Authors of publication | Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 9 |
| a | 12.1151 ± 0.0005 Å |
| b | 13.2796 ± 0.0006 Å |
| c | 21.1662 ± 0.001 Å |
| α | 77.916 ± 0.0019° |
| β | 88.8857 ± 0.0018° |
| γ | 87.9827 ± 0.0018° |
| Cell volume | 3327.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277275 (current) | 2022-08-17 | cif/ hkl/ Adding structures of 2244145, 2244146 via cif-deposit CGI script. |
2244146.cif 2244146.hkl |
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Users of the data should acknowledge the original authors of the
structural data.