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Information card for entry 7202640
Preview
| Coordinates | 7202640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Bis(bis(pentafluorobenzoyl)methane)copper(ii) |
|---|---|
| Chemical name | Bis[bis(pentafluorobenzoyl)methane]copper(II) |
| Formula | C48 H20 Cu F20 O4 |
| Calculated formula | C48 H20 Cu F20 O4 |
| SMILES | c1(c(c(c(c(c1C1=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)F)F)F)F)F.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes |
| Authors of publication | Hori, Akiko; Arii, Tadashi |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 215 |
| a | 27.098 ± 0.004 Å |
| b | 47.336 ± 0.008 Å |
| c | 6.933 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8893 ± 9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202640.cif |
| 180357 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26. |
7202640.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202640.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202640.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202640.cif |
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