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Information card for entry 7042747
Preview
| Coordinates | 7042747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H75 F N5 O0.5 S3 Zr |
|---|---|
| Calculated formula | C59 H75 F N5 O0.5 S3 Zr |
| Title of publication | Highly Thermally Stable and Robust Enantiopure NNN-Scorpionate Zirconium Initiators for the Controlled Ring-Opening Polymerization of rac-Lactide |
| Authors of publication | Otero, Antonio; fernandez, juan; garces, andres; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; lara, agustin; martinez-Ferrer, Jaime; Carrion, Maria Prado; Rodríguez, Ana María |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 9.9418 ± 0.0003 Å |
| b | 28.5201 ± 0.0008 Å |
| c | 10.9256 ± 0.0003 Å |
| α | 90° |
| β | 102.641 ± 0.002° |
| γ | 90° |
| Cell volume | 3022.77 ± 0.15 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1801 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.1764 |
| Weighted residual factors for all reflections included in the refinement | 0.2288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195648 (current) | 2017-04-21 | cif/ Adding structures of 7042747 via cif-deposit CGI script. |
7042747.cif |
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Users of the data should acknowledge the original authors of the
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