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Information card for entry 4070930
Preview
| Coordinates | 4070930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 4 |
|---|---|
| Formula | C22 H10 F10 N2 Zn |
| Calculated formula | C22 H10 F10 N2 Zn |
| SMILES | [Zn]([n]1ccccc1)([n]1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing |
| Authors of publication | Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1436 |
| a | 16.1446 ± 0.0009 Å |
| b | 10.2398 ± 0.0007 Å |
| c | 13.2794 ± 0.0006 Å |
| α | 90° |
| β | 106.979 ± 0.004° |
| γ | 90° |
| Cell volume | 2099.6 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070930.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070930.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070930.cif |
| 42852 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070926, 4070927, 4070928, 4070929, 4070930, 4070931, 4070932 via cif-deposit CGI script. |
4070930.cif |
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Users of the data should acknowledge the original authors of the
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