Information card for entry 4306361

Structure parameters

• Formula: C55.45 H58.05 Fe3 N6.65 O13
• Calculated formula: C56.8 H58.4 Fe3 N7.3 O13
• Title of publication: Mechanism of Pyridine-Ligand Exchanges at the Different Labile Sites of 3d Heterometallic and Mixed Valence μ3-oxo Trinuclear Clusters
• Authors of publication: Ghenadie Novitchi; Fabrice Riblet; Rosario Scopelliti; Lothar Helm; Aurelian Gulea; André E. Merbach
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10587 - 10599
• a: 20.3457 ± 0.0004 Å
• b: 26.1592 ± 0.0006 Å
• c: 11.1804 ± 0.0003 Å
• α: 90°
• β: 98.642 ± 0.002°
• γ: 90°
• Cell volume: 5883 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No