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Information card for entry 1551713
Preview
| Coordinates | 1551713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H62 Cl6 O4 Zr2 |
|---|---|
| Calculated formula | C50 H62 Cl6 O4 Zr2 |
| Title of publication | Synthesis and Molecular Structure of Di(3,5-di-tert-butylcatecholato)-dicyclopentadienylzirconium(IV) |
| Authors of publication | FLOGERAS, Jennifer C.; ALLAN, Christopher R.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 45 |
| a | 16.198 ± 0.003 Å |
| b | 17.01 ± 0.003 Å |
| c | 21.6 ± 0.004 Å |
| α | 102.476 ± 0.002° |
| β | 111.983 ± 0.002° |
| γ | 101.738 ± 0.003° |
| Cell volume | 5115.8 ± 1.6 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216325 (current) | 2019-06-20 | cif/ Adding structures of 1551713 via cif-deposit CGI script. |
1551713.cif |
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