Information card for entry 4313592

Structure parameters

• Formula: C28.83 H25.67 Cl1.67 Fe2 N4 S4
• Calculated formula: C28.8333 H25.6667 Cl1.66667 Fe2 N4 S4
• Title of publication: Molecular and Electronic Structures of Iron(II)/(III) Complexes Containing N,S-Coordinated, Closed-Shello-Aminothiophenolato(1-) and o-Iminothiophenolato(2-) Ligands
• Authors of publication: Prasanta Ghosh; Ameerunisha Begum; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3208 - 3215
• a: 13.9882 ± 0.0008 Å
• b: 16.4986 ± 0.001 Å
• c: 20.688 ± 0.002 Å
• α: 70.96 ± 0.01°
• β: 75.89 ± 0.01°
• γ: 75.3 ± 0.01°
• Cell volume: 4297.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.1604
• Weighted residual factors for significantly intense reflections: 0.1327
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No