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Information card for entry 4074719
Preview
| Coordinates | 4074719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H15 Al Br F15 |
|---|---|
| Calculated formula | C37 H15 Al Br F15 |
| SMILES | Br[Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1cc([C+](c2ccccc2)c2ccccc2)ccc1 |
| Title of publication | Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity |
| Authors of publication | Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 2833 |
| a | 12.51 ± 0.009 Å |
| b | 7.896 ± 0.005 Å |
| c | 33.79 ± 0.02 Å |
| α | 90° |
| β | 97.512 ± 0.014° |
| γ | 90° |
| Cell volume | 3309 ± 4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.1278 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178636 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/47. |
4074719.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074719.cif |
| 48706 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074714, 4074715, 4074716, 4074717, 4074718, 4074719, 4074720, 4074721, 4074722, 4074723, 4074724 via cif-deposit CGI script. |
4074719.cif |
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Users of the data should acknowledge the original authors of the
structural data.