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Information card for entry 7048547
Preview
| Coordinates | 7048547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H67 Fe K N2 O6 Si4 |
|---|---|
| Calculated formula | C31 H67 Fe K N2 O6 Si4 |
| Title of publication | C-Halide bond cleavage by a two-coordinate iron(i) complex. |
| Authors of publication | Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 5 |
| Pages of publication | 1757 - 1765 |
| a | 9.0328 ± 0.0009 Å |
| b | 19.98 ± 0.002 Å |
| c | 24.078 ± 0.003 Å |
| α | 91.857 ± 0.004° |
| β | 94.986 ± 0.004° |
| γ | 92.202 ± 0.004° |
| Cell volume | 4323.1 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.1083 |
| Weighted residual factors for significantly intense reflections | 0.2652 |
| Weighted residual factors for all reflections included in the refinement | 0.2697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223997 (current) | 2019-11-07 | cif/ Updating files of 7048542, 7048543, 7048544, 7048545, 7048546, 7048547, 7048548, 7048549 Original log message: Adding full bibliography for 7048542--7048549.cif. |
7048547.cif |
| 212961 | 2019-01-11 | cif/ Adding structures of 7048542, 7048543, 7048544, 7048545, 7048546, 7048547, 7048548, 7048549 via cif-deposit CGI script. |
7048547.cif |
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Users of the data should acknowledge the original authors of the
structural data.