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Information card for entry 4071724
Preview
Coordinates | 4071724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 Fe |
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Calculated formula | C14 H16 Fe |
SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)CC[c]15[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3† |
Authors of publication | Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 20 |
Pages of publication | 5279 |
a | 9.8523 ± 0.0004 Å |
b | 7.6564 ± 0.0003 Å |
c | 15.4974 ± 0.0007 Å |
α | 90° |
β | 106.337 ± 0.002° |
γ | 90° |
Cell volume | 1121.82 ± 0.08 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1184 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4071724.html
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