Information card for entry 4105565

Structure parameters

• Formula: C30 H42 F6 Fe2 N0 P S2
• 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 ų
• 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