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Information card for entry 4070929
Preview
| Coordinates | 4070929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 3 |
|---|---|
| Formula | C34 H16 F10 N4 Zn |
| Calculated formula | C34 H16 F10 N4 Zn |
| SMILES | [Zn]([N]#Cc1ccc(cc1)n1cccc1)([N]#Cc1ccc(cc1)n1cccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| 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 | 8.0378 ± 0.0005 Å |
| b | 14.0455 ± 0.0007 Å |
| c | 14.551 ± 0.0009 Å |
| α | 114.357 ± 0.006° |
| β | 91.807 ± 0.005° |
| γ | 97.603 ± 0.005° |
| Cell volume | 1476.6 ± 0.17 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 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 | 0.0258 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
4070929.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070929.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070929.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. |
4070929.cif |
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Users of the data should acknowledge the original authors of the
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