Information card for entry 4304534

Structure parameters

• Formula: C48 H62 Cl4 Fe8 N24 O5
• Calculated formula: C48 H60 Cl4 Fe8 N24 O4.99
• Title of publication: Synthesis, Characterization, and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core
• Authors of publication: Peter Baran; Roman Boča; Indranil Chakraborty; John Giapintzakis; Radovan Herchel; Qing Huang; John E. McGrady; Raphael G. Raptis; Yiannis Sanakis; Athanasios Simopoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 645 - 655
• a: 13.187 ± 0.002 Å
• b: 13.601 ± 0.002 Å
• c: 21.461 ± 0.003 Å
• α: 87.545 ± 0.003°
• β: 80.55 ± 0.003°
• γ: 71.25 ± 0.003°
• Cell volume: 3595.2 ± 0.9 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No