Information card for entry 4323644

Structure parameters

• Formula: C50 H50 Cl2 Cu4 N8 O18
• Calculated formula: C50 H56 Cl2 Cu4 N8 O18
• Title of publication: The Case of a Cu4 Rhombus in Molecular Magnetism: Preparation, Crystal Structure, and Magnetic Properties of [Cu4(dpk.CH3O)4(CH3O)2](ClO4)2 (dpk.CH3OH = Monomethylated Diol of Di-2-pyridyl Ketone), an Example of a Cluster Allowing the Determination of All Its Exchange Parameters, Ranging from Very Strong to Very Weak
• Authors of publication: Vasilis Tangoulis; Catherine P. Raptopoulou; Sofia Paschalidou; Alexandros E. Tsohos; Evangelos G. Bakalbassis; Aris Terzis; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5270 - 5277
• a: 15.551 ± 0.0009 Å
• b: 15.551 ± 0.0009 Å
• c: 48.938 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11834.9 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.175
• Weighted residual factors for significantly intense reflections: 0.1453
• Goodness-of-fit parameter for all reflections: 1.16
• Goodness-of-fit parameter for significantly intense reflections: 1.225
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No