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Information card for entry 4060392
Preview
| Coordinates | 4060392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H38 B2 Cl4 F40 Zr2 |
|---|---|
| Calculated formula | C84 H38 B2 Cl4 F40 Zr2 |
| SMILES | [B-](c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C[c]12[cH]3[cH]4[Zr]56789%1013([c]1([cH]8[cH]7[cH]6[cH]51)C)([cH]2[cH]49)[Cl][Zr]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C)([c]1([cH]8[cH]7[cH]6[cH]51)C)[Cl]%10.c1(ccccc1)Cl.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)Cl |
| Title of publication | Sigma-Bond Metathesis Reactions of Zirconocene Alkyl Cations with Phenylsilane |
| Authors of publication | Wu, Fan; Jordan, Richard F. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 11 |
| Pages of publication | 2688 - 2697 |
| a | 11.684 ± 0.002 Å |
| b | 13.503 ± 0.003 Å |
| c | 13.712 ± 0.003 Å |
| α | 85.334 ± 0.004° |
| β | 68.088 ± 0.004° |
| γ | 75.768 ± 0.004° |
| Cell volume | 1945.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.