Information card for entry 4105566

Structure parameters

• Formula: C32 H46 F6 Fe2 P S2
• Calculated formula: C32 H46 F6 Fe2 P S2
• SMILES: [Fe]12345678([Fe]9%10%11%12%13([S]1CC)([S]2CC)([c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)[CH]7=[C]8%13c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)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: 35.483 ± 0.014 Å
• b: 10.195 ± 0.004 Å
• c: 21.444 ± 0.009 Å
• α: 90°
• β: 120.299 ± 0.005°
• γ: 90°
• Cell volume: 6698 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No