Information card for entry 4327815

Structure parameters

• Formula: C128 H208 Co4 Fe4 N16 O68 S20
• Calculated formula: C128 H204 Co4 Fe4 N16 O68 S20
• Title of publication: Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties
• Authors of publication: Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 386 - 396
• a: 16.2029 ± 0.0005 Å
• b: 16.9908 ± 0.0005 Å
• c: 18.0633 ± 0.0005 Å
• α: 113.302 ± 0.002°
• β: 100.481 ± 0.002°
• γ: 90.571 ± 0.002°
• Cell volume: 4472.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2008
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No