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Information card for entry 4089553
Preview
Coordinates | 4089553.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H27 Br Fe N P S |
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Calculated formula | C29 H27 Br Fe N P S |
SMILES | Br[c]12[Fe]3456789([c]%10([c]3([cH]4[cH]5[cH]6%10)c3sc(P(c4ccccc4)c4ccccc4)cc3)CN(C)C)[cH]1[cH]7[cH]8[cH]29 |
Title of publication | Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands |
Authors of publication | Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5852 |
a | 15.5684 ± 0.0004 Å |
b | 12.8809 ± 0.0002 Å |
c | 13.0506 ± 0.0003 Å |
α | 90° |
β | 102.172 ± 0.002° |
γ | 90° |
Cell volume | 2558.27 ± 0.1 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0979 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
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/4089553.html
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