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CIF Information Card
Information card for 7015452
7015451 << 7015452 >> 7015453Preview
|
Coordinates |
7015452.cif |
Structure parameters
| Formula | - C82 H64 Cu2 F12 O4 P6 S4 - |
| Calculated formula | - C82 H64 Cu2 F12 O4 P6 S4 - |
| 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 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1422 |
| Residual factor for observed reflections | 0.0828 |
| Weighted residual factors for the observed reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2117 |
| Goodness-of-fit parameter for observed reflections | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |