Information card for entry 4105567

Structure parameters

• Formula: C26 H41 F6 Fe2 N0 P S2
• Calculated formula: C26 H41 F6 Fe2 P S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Fe]1234567([Fe]89%10%11%12%13([S]1CC)([c]1([c]8([cH]9[c]%10([c]%111C)C)C)C)C7[CH]%12=[CH]%13C[S]2CC)[c]1([c]3([cH]4[c]5([c]61C)C)C)C
• 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: 13.948 ± 0.0009 Å
• b: 14.6111 ± 0.0011 Å
• c: 15.6505 ± 0.0013 Å
• α: 90°
• β: 110.934 ± 0.004°
• γ: 90°
• Cell volume: 2979 ± 0.4 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: 0.111
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No