Information card for entry 8101744

Structure parameters

• Chemical name: tetrachloro-bis(1,10-phenanthroline-N,N')(μ-oxo)diiron(III) trichloromethane solvate
• Formula: C25 H17 Cl7 Fe2 N4 O
• Calculated formula: C25 H17 Cl7 Fe2 N4 O
• SMILES: [Fe]12(Cl)(O[Fe](Cl)(Cl)Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.ClC(Cl)Cl
• Title of publication: Crystal structure of bis(1,10-phenanthroline-1κN,κN')-tetrachloro- 1κCl,2κ^3^Cl-μ-oxo-1:2κ^2^O-diiron(III) trichloromethane solvate, [FeCl(C~12~H~8~N~4~)~2~]O(FeCl~3~) · CHCl~3~, a dinuclear iron(III) complex with an unsymmetrical μ-oxo bridge
• Authors of publication: Feng, Y.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 201 - 202
• a: 8.014 ± 0.0016 Å
• b: 11.822 ± 0.002 Å
• c: 15.795 ± 0.003 Å
• α: 94.26 ± 0.03°
• β: 93.87 ± 0.03°
• γ: 98.53 ± 0.03°
• Cell volume: 1471.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No