Information card for entry 2205934
Chemical name |
1,12-Diferrocenyldodecane |
Formula |
C32 H42 Fe2 |
Calculated formula |
C32 H42 Fe2 |
SMILES |
[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)CCCCCCCCCCCC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12 |
Title of publication |
1,12-Diferrocenyldodecane at 100K |
Authors of publication |
Bequeath, Danielle M.; Porter, Richard L.; Lufaso, Michael W.; Wagner, Timothy R.; Kusnic, Rachel L.; Zeller, Matthias; Curtin, Larry S. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
6 |
Pages of publication |
m1070 - m1072 |
a |
16.0203 ± 0.0009 Å |
b |
7.5367 ± 0.0004 Å |
c |
11.1773 ± 0.0006 Å |
α |
90° |
β |
103.597 ± 0.001° |
γ |
90° |
Cell volume |
1311.73 ± 0.12 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0272 |
Residual factor for significantly intense reflections |
0.026 |
Weighted residual factors for significantly intense reflections |
0.0738 |
Weighted residual factors for all reflections included in the refinement |
0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.073 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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