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Information card for entry 7114296
Preview
| Coordinates | 7114296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(Pentafluorophenylmethylidenehydrazone) |
|---|---|
| Formula | C14 H2 F10 N2 |
| Calculated formula | C14 H2 F10 N2 |
| SMILES | c1(/C=N/N=C/c2c(c(F)c(F)c(F)c2F)F)c(c(F)c(F)c(F)c1F)F |
| Title of publication | Interplay of phenyl–perfluorophenyl stacking, C–H⋯F, C–F⋯π and F⋯F interactions in some crystalline aromatic azinesElectronic supplementary information (ESI) available: experimental powder X-ray diffraction spectra. See http://www.rsc.org/suppdata/cc/b2/b202181a/ |
| Authors of publication | Vangala, Venu R.; Nangia, Ashwini; Lynch, Vincent M. |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 12 |
| Pages of publication | 1304 |
| a | 6.657 ± 0.0001 Å |
| b | 7.9005 ± 0.0002 Å |
| c | 13.1424 ± 0.0003 Å |
| α | 90° |
| β | 103.68 ± 0.001° |
| γ | 90° |
| Cell volume | 671.6 ± 0.03 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
7114296.cif |
| 180256 | 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 7/11/42. |
7114296.cif |
| 116666 | 2014-06-13 | cif/ Adding structures of 7114295, 7114296, 7114297 via cif-deposit CGI script. |
7114296.cif |
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