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Information card for entry 2010999
Preview
| Coordinates | 2010999.cif |
|---|---|
| Structure factors | 2010999.hkl |
| Original IUCr paper | HTML |
| Formula | C30 H16 B F15 Zr |
|---|---|
| Calculated formula | C30 H16 B F15 Zr |
| SMILES | [Zr](C)([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23.[B-](C)(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 |
| Title of publication | The bis(η^5^-cyclopentadienyl)methylzirconium(IV) methyltris(pentafluorophenyl)borate ion pair |
| Authors of publication | Guzei, Ilia A.; Stockland Jr, Robert A.; Jordan, Richard F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 635 - 636 |
| a | 12.1506 ± 0.0007 Å |
| b | 15.404 ± 0.0009 Å |
| c | 15.5477 ± 0.0009 Å |
| α | 90° |
| β | 109.199 ± 0.001° |
| γ | 90° |
| Cell volume | 2748.2 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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