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Information card for entry 7052762
Preview
Coordinates | 7052762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H25 Fe3 N O11 S |
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Calculated formula | C20 H25 Fe3 N O11 S |
SMILES | [Fe]12([Fe]34([Fe]1([S]23)(C4=O)(C#[O])(C#[O])CC(=O)OC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC |
Title of publication | Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations |
Authors of publication | Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 2442 |
a | 9.4943 ± 0.0009 Å |
b | 10.791 ± 0.006 Å |
c | 13.2079 ± 0.0017 Å |
α | 89.92 ± 0.03° |
β | 88.507 ± 0.009° |
γ | 86.83 ± 0.02° |
Cell volume | 1350.7 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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