Information card for entry 4323887

Structure parameters

• Common name: Ferric Train
• Chemical name: [Fe2(tren)2(mtm)O]n(CF3SO3)n(Cl)n
• Formula: C19 H42 Cl F3 Fe2 N8 O8 S3
• Calculated formula: C19 H30 Cl F3 Fe2 N8 O8 S3
• Title of publication: The First (μ-Oxo)diferric Chain Complex: Structure and Magnetic Properties of [Fe2(tren)2(mtm)O]n(CF3SO3)nCln
• Authors of publication: Chang Seop Hong; Jinkwon Kim; Nam Hwi Hur; Youngkyu Do
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5110 - 5111
• a: 18.031 ± 0.006 Å
• b: 14.48 ± 0.005 Å
• c: 14.722 ± 0.004 Å
• α: 90°
• β: 112.55 ± 0.02°
• γ: 90°
• Cell volume: 3550 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections: 0.2829
• Weighted residual factors for significantly intense reflections: 0.2258
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No