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Information card for entry 4078843
Preview
Coordinates | 4078843.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H14 Fe2 N2 O6 S2 |
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Calculated formula | C19 H14 Fe2 N2 O6 S2 |
SMILES | [Fe]12([Fe]3([S](C2([S]13)n1c(cc(n1)C)C)Cc1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Reactivity of Bis(3,5-dimethylpyrazol-1-yl)methyllithium with S or CS2, Followed by Reaction with Fe3(CO)12and Ar3SnCl or RX: Unexpected Formation of (3,5-Dimethylpyrazol-1-yl)dithioformate Derivatives |
Authors of publication | Liu, Xia-Li; Zhang, Xiao-Yan; Song, Hai-Bin; Tang, Liang-Fu |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 14 |
Pages of publication | 5108 |
a | 7.7591 ± 0.0016 Å |
b | 11.023 ± 0.002 Å |
c | 25.811 ± 0.005 Å |
α | 90° |
β | 95.64 ± 0.03° |
γ | 90° |
Cell volume | 2196.9 ± 0.7 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0467 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4078843.html
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