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Information card for entry 7015453
Preview
| Coordinates | 7015453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H32 Cl2 Cu2 O P2 S2 |
|---|---|
| Calculated formula | C41 H32 Cl2 Cu2 O P2 S2 |
| SMILES | C(=O)([CH]1=[CH]2c3ccccc3P(=[S][Cu]12Cl)(c1ccccc1)c1ccccc1)[CH]1=[CH]2c3ccccc3P(=[S][Cu]12Cl)(c1ccccc1)c1ccccc1 |
| 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 | 29.431 ± 0.003 Å |
| b | 8.9496 ± 0.001 Å |
| c | 16.2751 ± 0.0018 Å |
| α | 90° |
| β | 115.307 ± 0.002° |
| γ | 90° |
| Cell volume | 3875.4 ± 0.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
7015453.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015453.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015453.cif |
| 21153 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015450, 7015451, 7015452, 7015453 via cif-deposit CGI script. |
7015453.cif |
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