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Information card for entry 7110590
Preview
| Coordinates | 7110590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H34 B4 Cl4 F60 N4 Ni |
|---|---|
| Calculated formula | C116 H34 B4 Cl4 F60 N4 Ni |
| SMILES | [B]([N]#C[Ni](C#[N][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(C#[N][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C#[N][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(c(c(c1F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(c(c(c1F)F)F)F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | New weakly coordinating counter anions for high activity polymerisation catalysts: [(C6F5)3B‒CN‒B(C6F5)3]− and [Ni{CNB(C6F5)3}4]2− |
| Authors of publication | Lancaster, Simon J.; Walker, Dennis A.; Thornton-Pett, Mark; Bochmann, Manfred |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 16 |
| Pages of publication | 1533 |
| a | 12.034 ± 0.0001 Å |
| b | 14.6297 ± 0.0001 Å |
| c | 31.8468 ± 0.0003 Å |
| α | 90° |
| β | 100.692 ± 0.0006° |
| γ | 90° |
| Cell volume | 5509.41 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180219 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05. |
7110590.cif |
| 95457 | 2014-01-28 | cif/ Adding structures of 7110590, 7110591 via cif-deposit CGI script. |
7110590.cif |
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Users of the data should acknowledge the original authors of the
structural data.