Information card for entry 4339102

Structure parameters

• Formula: C233 H220 Fe6 Mn6 N48 O39
• Calculated formula: C233 H180 Fe6 Mn6 N48 O39
• Title of publication: Substituent effect on formation of heterometallic molecular wheels: synthesis, crystal structure, and magnetic properties.
• Authors of publication: Ni, Zhong-Hai; Zhang, Li-Fang; Tangoulis, Vassilis; Wernsdorfer, Wolfgang; Cui, Ai-Li; Sato, Osamu; Kou, Hui-Zhong
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6029 - 6037
• a: 13.718 ± 0.003 Å
• b: 21.098 ± 0.004 Å
• c: 21.117 ± 0.004 Å
• α: 78.69 ± 0.03°
• β: 77.61 ± 0.03°
• γ: 87.18 ± 0.03°
• Cell volume: 5853 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1232
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No