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Information card for entry 4074720
Preview
| Coordinates | 4074720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H58 B F29 Zr2 |
|---|---|
| Calculated formula | C94 H58 B F29 Zr2 |
| SMILES | [B](c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)(c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)(c1c(c(c(c(c1c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)F.C[Zr]123456789([c]%10%11cccc[c]1%10[c]12cccc[c]31[c]4%11C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91)[F][Zr]123456789(C)[c]%10%11cccc[c]1%10[c]12cccc[c]31[c]4%11C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91.c1ccccc1C.Cc1ccccc1 |
| 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 | 16.0202 ± 0.0016 Å |
| b | 16.9357 ± 0.0017 Å |
| c | 17.3241 ± 0.0017 Å |
| α | 112.792 ± 0.002° |
| β | 106.482 ± 0.002° |
| γ | 101.012 ± 0.002° |
| Cell volume | 3907.1 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| 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. |
4074720.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074720.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. |
4074720.cif |
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Users of the data should acknowledge the original authors of the
structural data.