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Information card for entry 2312653
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Coordinates | 2312653.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,2-Bis[(4-methylbenzene)sulfinyl]ferrocene |
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Formula | C24 H22 Fe O2 S2 |
Calculated formula | C24 H22 Fe O2 S2 |
Title of publication | Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. |
Authors of publication | Blockhaus, Tobias; Sünkel, Karlheinz |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 11 |
a | 7.8964 ± 0.0002 Å |
b | 12.9064 ± 0.0003 Å |
c | 11.0124 ± 0.0003 Å |
α | 90° |
β | 109.467 ± 0.001° |
γ | 90° |
Cell volume | 1058.16 ± 0.05 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
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/2312653.html
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