Information card for entry 7041533
| Formula |
C36 H28 Fe3 |
| Calculated formula |
C36 H28 Fe3 |
| Title of publication |
Sandwich and half-sandwich metal complexes derived from cross-conjugated 3-methylene-penta-1,4-diynes. |
| Authors of publication |
Vincent, Kevin B.; Gluyas, Josef B. G.; Zeng, Qiang; Yufit, Dmitry S.; Howard, Judith A. K.; Hartl, František; Low, Paul J. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2017 |
| Journal volume |
46 |
| Journal issue |
17 |
| Pages of publication |
5522 - 5531 |
| a |
18.7766 ± 0.0005 Å |
| b |
12.825 ± 0.0003 Å |
| c |
11.6171 ± 0.0003 Å |
| α |
90° |
| β |
109.073 ± 0.001° |
| γ |
90° |
| Cell volume |
2643.94 ± 0.12 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
3 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.049 |
| Residual factor for significantly intense reflections |
0.0427 |
| Weighted residual factors for significantly intense reflections |
0.1046 |
| Weighted residual factors for all reflections included in the refinement |
0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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