Information card for entry 4339104

Structure parameters

• Formula: C238 H227 Cl12 Fe6 Mn6 N53 O49
• Calculated formula: C238 H162 Cl12 Fe6 Mn6 N53 O49
• 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: 25.009 ± 0.005 Å
• b: 25.009 ± 0.005 Å
• c: 12.512 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6777 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No