Information card for entry 7102716

Structure parameters

• Formula: C24 H20 Fe K2 S4
• Calculated formula: C24 H20 Fe K2 S4
• SMILES: [K+].[Fe](Sc1ccccc1)(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1.[K+]
• Title of publication: Phenylthiolate as a sigma- and pi- donor ligand: synthesis of a 3-D organometallic coordination polymer [K2Fe(SPh)4]n.
• Authors of publication: Yu, Xiao-Yan; Jin, Guo-Xin; Weng, Lin-Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1542 - 1543
• a: 12.58 ± 0.006 Å
• b: 12.58 ± 0.006 Å
• c: 16.127 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No