Information card for entry 2234601
Chemical name |
1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate |
Formula |
C64 H76 B2 N4 O2 |
Calculated formula |
C64 H76 B2 N4 O2 |
SMILES |
C(C(=[N+](C)C)N(C)C)(=[N+](C)C)N(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C.O=C(C)C |
Title of publication |
1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate |
Authors of publication |
Tiritiris, Ioannis; Kantlehner, Willi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
5 |
Pages of publication |
o1371 |
a |
30.0601 ± 0.0009 Å |
b |
9.9321 ± 0.0003 Å |
c |
18.2054 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
5435.4 ± 0.3 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0646 |
Residual factor for significantly intense reflections |
0.0455 |
Weighted residual factors for significantly intense reflections |
0.1 |
Weighted residual factors for all reflections included in the refinement |
0.1088 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2234601.html