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Information card for entry 4105565
Preview
Coordinates | 4105565.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H42 F6 Fe2 N0 P S2 |
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Calculated formula | C30 H42 F6 Fe2 P S2 |
SMILES | [Fe]12345678([Fe]9%10%11%12%13([S]1CC)([S]2CC)([C]4(c1ccccc1)=[CH]59)[c]1([c]%13([c]%11([cH]%12[c]%101C)C)C)C)[c]1([c]6([c]7(C)[c]8([cH]31)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes |
Authors of publication | Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1147 - 1149 |
a | 10.422 ± 0.004 Å |
b | 17.643 ± 0.006 Å |
c | 17.751 ± 0.006 Å |
α | 90° |
β | 90.305 ± 0.007° |
γ | 90° |
Cell volume | 3264 ± 2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0819 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
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/4105565.html
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Users of the data should acknowledge the original authors of the
structural data.