Information card for entry 2012063
Common name |
1-phenyl-1,7-dicarba-closo-dodecaborane(12) |
Chemical name |
1-phenyl-1,7-dicarba-closo-dodecaborane(12) |
Formula |
C8 H16 B10 |
Calculated formula |
C8 H16 B10 |
SMILES |
C1(BC(B1)BBB[BH])(BBB[BH])c1ccccc1 |
Title of publication |
Two isostructural carboranes: 3-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) and 1-phenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12) |
Authors of publication |
Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
7 |
Pages of publication |
827 - 829 |
a |
10.35 ± 0.002 Å |
b |
9.449 ± 0.002 Å |
c |
13.763 ± 0.003 Å |
α |
90° |
β |
106.07 ± 0.03° |
γ |
90° |
Cell volume |
1293.4 ± 0.5 Å3 |
Cell temperature |
163 ± 2 K |
Ambient diffraction temperature |
163 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.126 |
Residual factor for significantly intense reflections |
0.049 |
Weighted residual factors for all reflections included in the refinement |
0.115 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.879 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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