Information card for entry 7042866

Structure parameters

• Formula: C28 H46 Ag F6 Fe2 P S6
• Calculated formula: C28 H46 Ag F6 Fe2 P S6
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ag]12([S]3[Fe]45678([S]1CC[S]6CC3)[c]1([c]7([c]8([c]4([c]51C)C)C)C)C)[S]1[Fe]34567([S](CC[S]32)CC1)[c]1([c]6([c]5([c]7([c]41C)C)C)C)C
• Title of publication: Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes
• Authors of publication: Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.408 ± 0.002 Å
• b: 16.545 ± 0.002 Å
• c: 16.329 ± 0.002 Å
• α: 90°
• β: 108.902 ± 0.002°
• γ: 90°
• Cell volume: 3682.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No