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Information card for entry 2012022
Preview
| Coordinates | 2012022.cif |
|---|---|
| Structure factors | 2012022.hkl |
| Original IUCr paper | HTML |
| Formula | C39.5 H48 Cl2 N2 O2 Zr |
|---|---|
| Calculated formula | C39.5 H47 Cl2 N2 O2 Zr |
| Title of publication | Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate |
| Authors of publication | Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 674 - 675 |
| a | 29.2399 ± 0.0004 Å |
| b | 12.5188 ± 0.0002 Å |
| c | 23.8447 ± 0.0004 Å |
| α | 90° |
| β | 119.649 ± 0.0006° |
| γ | 90° |
| Cell volume | 7585.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1104 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.