Information card for entry 4501909

Structure parameters

• Formula: C50 H76 N14 Ni5 O30 S2
• Calculated formula: C50 H76 N14 Ni5 O30 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: 11.578 ± 0.004 Å
• b: 12.193 ± 0.004 Å
• c: 13.787 ± 0.004 Å
• α: 66.907 ± 0.004°
• β: 86.72 ± 0.005°
• γ: 80.131 ± 0.005°
• Cell volume: 1763.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No