Information card for entry 4105564

Structure parameters

• Formula: C22 H38 Fe2 N2 S2
• Calculated formula: C22 H38 Fe2 N2 S2
• SMILES: [c]12([c]3([c]4(C)[Fe]56713([NH]=[NH][Fe]1389([S]5CC)([cH]5[c]9([c]8([c]3([c]15C)C)C)C)[S]7CC)[cH]2[c]46C)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: 18.427 ± 0.004 Å
• b: 10.218 ± 0.002 Å
• c: 13.047 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2456.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No