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Information card for entry 7001041
Preview
Coordinates | 7001041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H68 B Fe4 Li O4 |
---|---|
Calculated formula | C56 H68 B Fe4 Li O4 |
SMILES | [B]([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)([c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges |
Authors of publication | Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 16 |
Pages of publication | 2940 - 2950 |
a | 14.9829 ± 0.0009 Å |
b | 20.0854 ± 0.001 Å |
c | 16.7066 ± 0.0009 Å |
α | 90° |
β | 100.813 ± 0.005° |
γ | 90° |
Cell volume | 4938.4 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7001041.html
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