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Information card for entry 7201054
Preview
| Coordinates | 7201054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Cu F12 N2 O4 |
|---|---|
| Calculated formula | C16 H18 Cu F12 N2 O4 |
| SMILES | C[N]1([Cu]23([N](CC1)(C)C)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)C |
| Title of publication | An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity |
| Authors of publication | Bandoli, Giuliano; Barreca, Davide; Gasparotto, Alberto; Seraglia, Roberta; Tondello, Eugenio; Devi, Anjana; Fischer, Roland A.; Winter, Manuela; Fois, Ettore; Gamba, Aldo; Tabacchi, Gloria |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 28 |
| Pages of publication | 5998 - 6007 |
| a | 17.7404 ± 0.0006 Å |
| b | 26.0745 ± 0.0011 Å |
| c | 9.83 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4547.1 ± 0.3 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 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 7/20/10. |
7201054.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201054.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201054.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201054.cif |
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