Information card for entry 4339105

Structure parameters

• Formula: C78 H66 Cl4 Fe2 Mn2 N17 O11
• Calculated formula: C78 H58 Cl4 Fe2 Mn2 N17 O11
• 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: 13.248 ± 0.013 Å
• b: 18.659 ± 0.018 Å
• c: 19.04 ± 0.02 Å
• α: 115.82 ± 0.05°
• β: 106.82 ± 0.05°
• γ: 91.45 ± 0.04°
• Cell volume: 3992 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No