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Information card for entry 7015452
Preview
| Coordinates | 7015452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H64 Cu2 F12 O4 P6 S4 |
|---|---|
| Calculated formula | C82 H64 Cu2 F12 O4 P6 S4 |
| SMILES | c1(ccccc1)P1(c2ccccc2)c2ccccc2C=CC(=O)[CH]2=[CH]3c4ccccc4P(c4ccccc4)(c4ccccc4)=[S][Cu]23([OH2])[S]=P(c2c(C=CC(=O)[CH]3=[CH]4c5c(cccc5)P(c5ccccc5)(c5ccccc5)=[S][Cu]34([OH2])[S]=1)cccc2)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation. |
| Authors of publication | Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 14 |
| Pages of publication | 3695 - 3702 |
| a | 25.838 ± 0.003 Å |
| b | 25.365 ± 0.003 Å |
| c | 14.722 ± 0.0015 Å |
| α | 90° |
| β | 97.563 ± 0.002° |
| γ | 90° |
| Cell volume | 9564.6 ± 1.9 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1422 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179858 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54. |
7015452.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015452.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015452.cif |
| 21153 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015450, 7015451, 7015452, 7015453 via cif-deposit CGI script. |
7015452.cif |
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