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Information card for entry 4116255
Preview
| Coordinates | 4116255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H80 Cl2 F6 O3 P4 Rh Sb Zr |
|---|---|
| Calculated formula | C80 H80 Cl2 F6 O3 P4 Rh Sb Zr |
| SMILES | [Sb](F)(F)([F-])(F)(F)F.[Rh]12([P]34[Zr]56789%10%11([P]%121[C]8(c1ccccc1)=[C]9([C]%10(=[CH]%11%12)C)C)(Cl)(Cl)[C]3(c1ccccc1)=[C]5([C]6(=[CH]47)C)C)[P](c1c(c3c([P]2(c2ccccc2)c2ccccc2)ccc2ccccc32)c2c(cc1)cccc2)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Dynamic Resolution of a Metallocene: Diastereoselective Assembly of an Early-Late Heterobimetallic Metal-Bridgedansa-Metallocene Opening a Route to Parallel Catalyst Synthesis |
| Authors of publication | T. Keith Hollis; Li-Sheng Wang; Fook Tham |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 11737 - 11738 |
| a | 13.4053 ± 0.0011 Å |
| b | 16.3295 ± 0.0013 Å |
| c | 17.8203 ± 0.0014 Å |
| α | 72.146 ± 0.002° |
| β | 80.562 ± 0.002° |
| γ | 82.677 ± 0.002° |
| Cell volume | 3650.4 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178933 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62. |
4116255.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116255.cif |
| 70836 | 2013-01-05 | cif/ Adding structures of 4116255 via cif-deposit CGI script. |
4116255.cif |
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Users of the data should acknowledge the original authors of the
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