Information card for entry 4313591

Structure parameters

• Formula: C61 H104 Fe2 N4 O5 S4
• Calculated formula: C61 H92 Fe2 N4 O5 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: 10.6112 ± 0.0009 Å
• b: 10.6514 ± 0.0009 Å
• c: 16.91 ± 0.002 Å
• α: 73.8 ± 0.02°
• β: 76.29 ± 0.02°
• γ: 66.93 ± 0.02°
• Cell volume: 1670.8 ± 0.4 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: 0.0936
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections: 0.1608
• Weighted residual factors for significantly intense reflections: 0.1405
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No