Information card for entry 7709693
Formula |
C36 H28 B O6 S16 |
Calculated formula |
C36 H28 B O6 S16 |
Title of publication |
Enantiopure and racemic radical-cation salts of B(mandelate)2− and B(2-chloromandelate)2− anions with BEDT-TTF |
Authors of publication |
Blundell, Toby J.; Lopez, Jordan R.; Sneade, Kathryn; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Coles, Simon J.; Wilson, Claire; Martin, Lee |
Journal of publication |
Dalton Transactions |
Year of publication |
2022 |
a |
8.5373 ± 0.0011 Å |
b |
11.7643 ± 0.0014 Å |
c |
21.647 ± 0.003 Å |
α |
93.708 ± 0.007° |
β |
96.881 ± 0.007° |
γ |
104.635 ± 0.007° |
Cell volume |
2078.2 ± 0.5 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1158 |
Residual factor for significantly intense reflections |
0.075 |
Weighted residual factors for significantly intense reflections |
0.1388 |
Weighted residual factors for all reflections included in the refinement |
0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.841 |
Diffraction radiation wavelength |
0.71075 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7709693.html