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Information card for entry 4081620
Preview
Coordinates | 4081620.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H17 Fe N O S |
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Calculated formula | C18 H17 Fe N O S |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=S)Nc1ccc(cc1)OC)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction |
Authors of publication | Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 6098 |
a | 13.1758 ± 0.0002 Å |
b | 13.5806 ± 0.0003 Å |
c | 8.7585 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1567.2 ± 0.06 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0746 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081620.html
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