Information card for entry 7016673
| Formula |
C40 H46.5 Cl2 Fe N9.5 O8 |
| Calculated formula |
C40 H46.5 Cl2 Fe N9.5 O8 |
| Title of publication |
Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn). |
| Authors of publication |
Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2011 |
| Journal volume |
40 |
| Journal issue |
40 |
| Pages of publication |
10416 - 10433 |
| a |
12.28 ± 0.0003 Å |
| b |
17.6405 ± 0.0004 Å |
| c |
20.8359 ± 0.0005 Å |
| α |
90° |
| β |
92.794 ± 0.002° |
| γ |
90° |
| Cell volume |
4508.22 ± 0.19 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0517 |
| Residual factor for significantly intense reflections |
0.047 |
| Weighted residual factors for significantly intense reflections |
0.1275 |
| Weighted residual factors for all reflections included in the refinement |
0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7016673.html
