Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8100218
Preview
Coordinates | 8100218.cif |
---|
Formula | C36 H32 Fe2 Si |
---|---|
Calculated formula | C36 H32 Fe2 Si |
SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]28[c]7([cH]6[cH]51)[C@H]([Si](C)(C)[C@H]1[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[c]47c3ccccc13)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1c2cccc1.[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]28[c]7([cH]6[cH]51)[C@@H]([Si](C)(C)[C@@H]1[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[c]47c3ccccc13)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1c2cccc1 |
Title of publication | Crystal structure of bis(ferroceno[2,3]inden-1-yl)dimethylsilane, Si(CH~3~)~2~[Fe(C~5~H~5~)(C~12~H~8~)]~2~ |
Authors of publication | Müller, A. G.; Schottenberger, H.; Laus, G.; Wurst, K. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2004 |
Journal volume | 219 |
Journal issue | 4 |
Pages of publication | 497 - 498 |
a | 6.521 ± 0.002 Å |
b | 12.012 ± 0.004 Å |
c | 18.024 ± 0.004 Å |
α | 94.13 ± 0.02° |
β | 96.64 ± 0.02° |
γ | 98.92 ± 0.03° |
Cell volume | 1379.6 ± 0.7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8100218.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.