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Information card for entry 4083176
Preview
| Coordinates | 4083176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H88 Cl10 F6 Fe2 P5 |
|---|---|
| Calculated formula | C83 H88 Cl10 F6 Fe2 P5 |
| Title of publication | Hexatriynediyl Chain Spanning Two Cp*(dppe)M Termini (M = Fe, Ru): Evidence for the Dependence of Electronic and Magnetic Couplings on the Relative Orientation of the Termini |
| Authors of publication | Burgun, Alexandre; Gendron, Frédéric; Sumby, Christopher J.; Roisnel, Thierry; Cador, Olivier; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2613 |
| a | 12.4033 ± 0.0004 Å |
| b | 16.7348 ± 0.0006 Å |
| c | 20.6758 ± 0.0006 Å |
| α | 90° |
| β | 95.449 ± 0.001° |
| γ | 90° |
| Cell volume | 4272.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178720 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31. |
4083176.cif |
| 115874 | 2014-06-05 | cif/ Updating files of 4083176, 4083177, 4083178 Original log message: Adding full bibliography for 4083176--4083178.cif. |
4083176.cif |
| 113039 | 2014-05-08 | cif/ Adding structures of 4083176, 4083177, 4083178 via cif-deposit CGI script. |
4083176.cif |
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