Information card for entry 4073393
| Formula |
C24.5 H34 Br Cl O5 Sn |
| Calculated formula |
C24.5 H34 Br Cl O5 Sn |
| Title of publication |
Ph(3-n)XnSnCH2-16-crown-5 (X = F, Cl, Br, I, SCN;n= 1, 2): Intramolecular O →Sn Coordination versus Ditopic Complexation of Sodium Thiocyanate† |
| Authors of publication |
Reeske, Gregor; Schürmann, Markus; Costisella, Burkhard; Jurkschat, Klaus |
| Journal of publication |
Organometallics |
| Year of publication |
2007 |
| Journal volume |
26 |
| Journal issue |
17 |
| Pages of publication |
4170 |
| a |
9.3718 ± 0.0008 Å |
| b |
12.6614 ± 0.0007 Å |
| c |
12.744 ± 0.001 Å |
| α |
114.571 ± 0.005° |
| β |
99.533 ± 0.004° |
| γ |
96.655 ± 0.005° |
| Cell volume |
1327.19 ± 0.18 Å3 |
| Cell temperature |
173 ± 1 K |
| Ambient diffraction temperature |
173 ± 1 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0456 |
| Residual factor for significantly intense reflections |
0.0264 |
| Weighted residual factors for significantly intense reflections |
0.0432 |
| Weighted residual factors for all reflections included in the refinement |
0.0451 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.813 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4073393.html
