Information card for entry 4501910

Structure parameters

• Formula: C50 H68 N12 Ni5 O33 S2
• Calculated formula: C50 H68 N12 Ni5 O33 S2
• Title of publication: Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4806
• a: 21.2288 ± 0.0015 Å
• b: 15.8791 ± 0.0012 Å
• c: 22.8186 ± 0.0017 Å
• α: 90°
• β: 112.813 ± 0.001°
• γ: 90°
• Cell volume: 7090.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No