Information card for entry 7111819

Structure parameters

• Formula: C39 H24 F9 Fe1.5 N6 O12 S3
• Calculated formula: C39 H24 F9 Fe1.5 N6 O12 S3
• Title of publication: Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands
• Authors of publication: Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1326
• a: 33.061 ± 0.001 Å
• b: 13.4974 ± 0.0006 Å
• c: 19.732 ± 0.001 Å
• α: 90°
• β: 95.911 ± 0.004°
• γ: 90°
• Cell volume: 8758.3 ± 0.7 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No