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CIF Information Card
Information card for 7015451
7015450 << 7015451 >> 7015452Preview
|
Coordinates |
7015451.cif |
Structure parameters
| Formula | - C88.76 H80.42 Cl2.82 Cu4 F12 O3.59 P6 S4 - |
| Calculated formula | - C88.7624 H80.412 Cl2.824 Cu4 F12 O3.5872 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 | 12.0204 ± 0.0007 Å |
| b | 14.5437 ± 0.0009 Å |
| c | 15.1233 ± 0.0009 Å |
| α | 71.942 ± 0.001° |
| β | 71.271 ± 0.001° |
| γ | 66.585 ± 0.001° |
| Cell volume | 2246.5 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for observed reflections | 0.0452 |
| Weighted residual factors for the observed reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for observed reflections | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |