Information card for entry 4302200

Structure parameters

• Formula: C56 H82 Cl2 Cu7 N6 O34
• Calculated formula: C56 H58 Cl2 Cu7 N6 O34
• Title of publication: Interpretation of the Magnetic Properties of a Compound Consisting of Cocrystallized CuII3 and CuII4 Clusters through the Targeted Synthesis and Study of Its Discrete CuII4 Component
• Authors of publication: Theocharis C. Stamatatos; Gina C. Vlahopoulou; Catherine P. Raptopoulou; Aris Terzis; Albert Escuer; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4610 - 4612
• a: 20.42 ± 0.01 Å
• b: 14.89 ± 0.01 Å
• c: 24.38 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7413 ± 9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No