Information card for entry 4074315

Structure parameters

• Formula: C32 H31 Cl2 Fe2 N O2 S
• Calculated formula: C32 H31 Cl2 Fe2 N O2 S
• Title of publication: Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes
• Authors of publication: Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4808
• a: 8.4612 ± 0.0017 Å
• b: 16.31 ± 0.003 Å
• c: 22.242 ± 0.004 Å
• α: 90°
• β: 98.27 ± 0.03°
• γ: 90°
• Cell volume: 3037.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No