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Information card for entry 4089111
Preview
| Coordinates | 4089111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H64 N2 O4 Zr |
|---|---|
| Calculated formula | C43 H64 N2 O4 Zr |
| Title of publication | Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers |
| Authors of publication | Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 22 |
| Pages of publication | 3837 |
| a | 14.9527 ± 0.0004 Å |
| b | 20.9673 ± 0.0004 Å |
| c | 15.1609 ± 0.0005 Å |
| α | 90° |
| β | 115.285 ± 0.003° |
| γ | 90° |
| Cell volume | 4297.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237995 (current) | 2019-11-24 | cif/ Adding structures of 4089111, 4089112, 4089113, 4089114, 4089115, 4089116 via cif-deposit CGI script. |
4089111.cif |
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Users of the data should acknowledge the original authors of the
structural data.