Information card for entry 4318683

Structure parameters

• Common name: [(SBPy3)Fe(CH3CN)](BF4)2^.^0.33Et2O.0.67MeOH
• Formula: C24 H30 B2 F8 Fe N6 O
• Calculated formula: C24.32 H24 B2 F8 Fe N6 O0.99
• Title of publication: Spontaneous Reduction of a Low-Spin Fe(III) Complex of a Neutral Pentadentate N5 Schiff Base Ligand to the Corresponding Fe(II) Species in Acetonitrile
• Authors of publication: Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5403 - 5409
• a: 38.398 ± 0.015 Å
• b: 11.859 ± 0.005 Å
• c: 12.783 ± 0.005 Å
• α: 90°
• β: 103.422 ± 0.008°
• γ: 90°
• Cell volume: 5662 ± 4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No