Information card for entry 4306363

Structure parameters

• Formula: C55 H60 Fe2 N8 Ni O13
• Calculated formula: C55 H60 Fe2 N8 Ni 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: 11.3576 ± 0.0015 Å
• b: 16.5028 ± 0.0016 Å
• c: 16.6957 ± 0.0016 Å
• α: 105.04 ± 0.008°
• β: 96.423 ± 0.01°
• γ: 92.983 ± 0.009°
• Cell volume: 2992.4 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No