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Information card for entry 7052765
Preview
Coordinates | 7052765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H40 Fe6 Hg N2 O18 S2 |
---|---|
Calculated formula | C34 H40 Fe6 Hg N2 O18 S2 |
SMILES | C(#[O])[Fe]123([S]4[Fe]1(C#[O])(C#[O])([Fe]24(C#[O])(C#[O])(C#[O])[Hg]13[Fe]23(C#[O])(C#[O])(C#[O])[S]4[Fe]2(C#[O])(C#[O])(C#[O])[Fe]134(C#[O])(C#[O])C#[O])C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[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 | 13.0224 ± 0.0002 Å |
b | 8.5294 ± 0.0001 Å |
c | 22.1409 ± 0.0003 Å |
α | 90° |
β | 103.813 ± 0.0009° |
γ | 90° |
Cell volume | 2388.14 ± 0.06 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052765.html
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Users of the data should acknowledge the original authors of the
structural data.