Information card for entry 4318685

Structure parameters

• Common name: [(SBPy3)FeOFe(SBPy3)](ClO4)4^.^1.2acetone^.^0.8H2O
• Formula: C43.6 H50.8 Cl4 Fe2 N10 O19
• Calculated formula: C43.6 H49.2 Cl4 Fe2 N10 O19
• 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: 12.543 ± 0.005 Å
• b: 13.258 ± 0.006 Å
• c: 19.381 ± 0.008 Å
• α: 94.408 ± 0.015°
• β: 95.638 ± 0.017°
• γ: 115.82 ± 0.02°
• Cell volume: 2861 ± 2 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.1332
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2402
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No