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Information card for entry 7001248
Preview
Coordinates | 7001248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H9 F4 Fe N O |
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Calculated formula | C17 H9 F4 Fe N O |
SMILES | [Fe]12345678([c]9%10Oc%11c(N=C[c]19[cH]2[cH]3[cH]4%10)c(F)c(F)c(F)c%11F)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family |
Authors of publication | Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 19 |
Pages of publication | 3716 - 3730 |
a | 13.0568 ± 0.0003 Å |
b | 7.2896 ± 0.0002 Å |
c | 15.2684 ± 0.0005 Å |
α | 90° |
β | 104.131 ± 0.001° |
γ | 90° |
Cell volume | 1409.25 ± 0.07 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7001248.html
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